NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type

4831 1fv8 cing 1-original 6 XPLOR/CNS dihedral angle

!dihedral restraints on epsilon, zeta, alpha and beta.

!STRAND 1
!EPSILON;BETA;ZETA;ALPHA. Description du squelette phosphodiester

assign  (resid  1 and name  c4') (resid  1 and name  c3')
        (resid  1 and name  o3') (resid  2 and name   p ) 1.0 170.0 50.0 2

assign  (resid  1 and name  c3') (resid  1 and name  o3')
        (resid  2 and name   p ) (resid  2 and name  o5') 1 275.0  50.0 2




assign  (resid  1 and name  o3') (resid  2 and name   p )
        (resid  2 and name  o5') (resid  2 and name  c5') 1 300  50.0  2

assign (resid 2 and name p) (resid 2 and name o5') 
       (resid 2 and name c5') (resid 2 and name c4')  1 175 50.0 2

assign (resid 2 and name o5') (resid 2 and name c5')
       (resid 2 and name c4') (resid 2 and name c3') 1 60 30.0 2

assign (resid 2 and name c4') (resid 2 and name c3')
       (resid 2 and name o3') (resid 3 and name p) 1.0 170.0 50.0 2

assign (resid 2 and name c3') (resid 2 and name o3')
       (resid 3 and name p) (resid 3 and name o5') 1.0 275 50.0 2



assign  (resid  2 and name  o3') (resid  3 and name   p )
        (resid  3 and name  o5') (resid  3 and name  c5') 1 300  50.0  2

assign (resid 3 and name p) (resid 3 and name o5') 
       (resid 3 and name c5') (resid 3 and name c4')  1 175 50.0 2
 
assign (resid 3 and name o5') (resid 3 and name c5')
       (resid 3 and name c4') (resid 3 and name c3') 1 60 30.0 2
 
assign (resid 3 and name c4') (resid 3 and name c3')
       (resid 3 and name o3') (resid 4 and name p) 1.0 170.0 50.0 2

assign (resid 3 and name c3') (resid 3 and name o3')
       (resid 4 and name p) (resid 4 and name o5') 1.0 275 50.0 2



assign  (resid  3 and name  o3') (resid  4 and name   p )
        (resid  4 and name  o5') (resid  4 and name  c5') 1 300  50.0  2

assign (resid 4 and name c4') (resid 4 and name c3')
       (resid 4 and name o3') (resid 5 and name p) 1.0 170.0 50.0 2

assign (resid 4 and name c3') (resid 4 and name o3')
       (resid 5 and name p) (resid 5 and name o5') 1.0 275 50.0 2


assign  (resid  4 and name  o3') (resid  5 and name   p )
        (resid  5 and name  o5') (resid  5 and name  c5') 1 300  50.0  2

assign (resid 5 and name p) (resid 5 and name o5')
       (resid 5 and name c5') (resid 5 and name c4')  1 175 50.0 2

assign (resid 5 and name o5') (resid 5 and name c5')
       (resid 5 and name c4') (resid 5 and name c3') 1 60 30.0 2


assign (resid 5 and name c3') (resid 5 and name o3')
       (resid 6 and name p) (resid 6 and name o5') 1.0 275 50.0 2



assign  (resid  5 and name  o3') (resid  6 and name   p )
        (resid  6 and name  o5') (resid  6 and name  c5') 1 300  50.0  2


assign (resid 6 and name c3') (resid 6 and name o3')
       (resid 7 and name p) (resid 7 and name o5') 1.0 275 50.0 2



assign  (resid  6 and name  o3') (resid  7 and name   p )
        (resid  7 and name  o5') (resid  7 and name  c5') 1 300  50.0  2

assign (resid 7 and name p) (resid 7 and name o5') 
       (resid 7 and name c5') (resid 7 and name c4')  1 175 50.0 2
 
assign (resid 7 and name o5') (resid 7 and name c5')
       (resid 7 and name c4') (resid 7 and name c3') 1 60 30.0 2
 

assign (resid 7 and name c3') (resid 7 and name o3')
       (resid 8 and name p) (resid 8 and name o5') 1.0 275 50.0 2



assign  (resid  7 and name  o3') (resid  8 and name   p )
        (resid  8 and name  o5') (resid  8 and name  c5') 1 300  50.0  2


assign (resid 8 and name c3') (resid 8 and name o3')
       (resid 9 and name p) (resid 9 and name o5') 1.0 275 50.0 2


assign  (resid  8 and name  o3') (resid  9 and name   p )
        (resid  9 and name  o5') (resid  9 and name  c5') 1 300  50.0  2

assign (resid 9 and name p) (resid 9 and name o5') 
       (resid 9 and name c5') (resid 9 and name c4')  1 175 50.0 2
 
assign (resid 9 and name o5') (resid 9 and name c5')
       (resid 9 and name c4') (resid 9 and name c3') 1 60 30.0 2
 
assign (resid 9 and name c4') (resid 9 and name c3')
       (resid 9 and name o3') (resid 10 and name p) 1.0 170.0 50.0 2

assign (resid 9 and name c3') (resid 9 and name o3')
       (resid 10 and name p) (resid 10 and name o5') 1.0 275 50.0 2



assign  (resid  9 and name  o3') (resid 10 and name   p )
        (resid  10 and name  o5') (resid  10 and name  c5') 1 300  50.0  2

assign (resid 10 and name p) (resid 10 and name o5') 
       (resid 10 and name c5') (resid 10 and name c4')  1 175 50.0 2
 
assign (resid 10 and name o5') (resid 10 and name c5')
       (resid 10 and name c4') (resid 10 and name c3') 1 60 30.0 2
 
assign (resid 10 and name c4') (resid 10 and name c3')
       (resid 10 and name o3') (resid 11 and name p) 1.0 170.0 50.0 2

assign (resid 10 and name c3') (resid 10 and name o3')
       (resid 11 and name p) (resid 11 and name o5') 1.0 275 50.0 2



!dihedral restrainst on delta from 1'2' coupling constants
!constrained to greater than 110; DELTA

assign (resid 1 and name c5') (resid 1 and name c4')
       (resid 1 and name c3') (resid 1 and name o3')    1.0  140.0 20.0 2

assign (resid 2 and name c5') (resid 2 and name c4')
       (resid 2 and name c3') (resid 2 and name o3')    1.0  140.0 20.0 2

assign (resid 3 and name c5') (resid 3 and name c4')
       (resid 3 and name c3') (resid 3 and name o3')    1.0  140.0 20.0 2

assign (resid 4 and name c5') (resid 4 and name c4')
       (resid 4 and name c3') (resid 4 and name o3')    1.0  140.0 20.0 2

assign (resid 5 and name c5') (resid 5 and name c4')
       (resid 5 and name c3') (resid 5 and name o3')    1.0  140.0 35.0 2


assign (resid 7 and name c5') (resid 7 and name c4')
       (resid 7 and name c3') (resid 7 and name o3')    1.0  140.0 35.0 2

assign (resid 8 and name c5') (resid 8 and name c4')
       (resid 8 and name c3') (resid 8 and name o3')    1.0  140.0 20.0 2

assign (resid 9 and name c5') (resid 9 and name c4')
       (resid 9 and name c3') (resid 9 and name o3')    1.0  140.0 20.0 2 

assign (resid 10 and name c5') (resid 10 and name c4')
       (resid 10 and name c3') (resid 10 and name o3')    1.0  140.0 20.0 2

assign (resid 11 and name c5') (resid 11 and name c4')
       (resid 11 and name c3') (resid 11 and name o3')    1.0  140.0 20.0 2 

!Angle de Torsion glycosidique
!Les distances H1'-H6/H8 indiquent des conformations en anti

assign (resid 1 and name o4') (resid 1 and name c1')
       (resid 1 and name N1) (resid 1 and name c2)      1.0  -100.0 55.0 2

assign (resid 2 and name o4') (resid 2 and name c1')
       (resid 2 and name N9) (resid 2 and name c4)      1.0  -100.0 55.0 2

assign (resid 3 and name o4') (resid 3 and name c1')
       (resid 3 and name N1) (resid 3 and name c2)      1.0  -100.0 55.0 2

assign (resid 4 and name o4') (resid 4 and name c1')
       (resid 4 and name N1) (resid 4 and name c2)      1.0  -100.0 55.0 2
assign (resid 5 and name o4') (resid 5 and name c1')
       (resid 5 and name N9) (resid 5 and name c4)      1.0  -100.0 55.0 2


assign (resid 8 and name o4') (resid 8 and name c1')
       (resid 8 and name N9) (resid 8 and name c4)      1.0  -100.0 55.0 2

assign (resid 9 and name o4') (resid 9 and name c1')
       (resid 9 and name N9) (resid 9 and name c4)      1.0  -100.0 55.0 2

assign (resid 10 and name o4') (resid 10 and name c1')
       (resid 10 and name N1) (resid 10 and name c2)    1.0  -100.0 55.0 2

assign (resid 11 and name o4') (resid 11 and name c1')
       (resid 11 and name N9) (resid 11 and name c4)    1.0  -100.0 55.0 2
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	4831	1fv8	cing	1-original	6	XPLOR/CNS	dihedral angle