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 subtype subsubtype

567561 2lzv 18780 cing 1-original 1 XPLOR/CNS distance NOE simple
!------------------------------------------------------------------------------------------
! XLUU7 cross-linked DNA duplex (constraints for CNS)
!------------------------------------------------------------------------------------------

!NOE DISTANCE CONSTRAINTS 

!intrasugar
 
!H1'-H2'
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h2')    2.9 0.3 0.3
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h2')    2.6 0.3 0.3  
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h2')    2.8 0.3 0.3 
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h2')    2.8 0.3 0.3 
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h2')    3.0 0.3 0.3
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h2')    2.6 0.3 0.3 
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h2')    2.6 0.3 0.3  
assign (segid A and resid 9 and name h1') (segid A and resid 9 and name h2')    2.6 0.3 0.3
assign (segid A and resid 10 and name h1') (segid A and resid 10 and name h2')  3.0 0.3 0.3 
  

!H1'-H2" 
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h2'')    2.2 0.2 0.2
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h2'')    2.2 0.2 0.2
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h2'')    2.4 0.2 0.2  
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h2'')    2.2 0.2 0.2 
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h2'')    2.3 0.2 0.2 
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h2'')    2.2 0.2 0.2
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h2'')    2.2 0.2 0.2  
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h2'')    2.3 0.2 0.2  
assign (segid A and resid 9 and name h1') (segid A and resid 9 and name h2'')    2.3 0.2 0.2
assign (segid A and resid 10 and name h1') (segid A and resid 10 and name h2'')  2.3 0.2 0.2 
assign (segid A and resid 11 and name h1') (segid A and resid 11 and name h2'')  2.3 0.2 0.2 


!H1'-H4' 
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h4')    2.8 0.3 0.5 
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h4')    3.1 0.3 0.5 
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h4')    2.8 0.3 0.5 
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h4')    2.8 0.3 0.5 
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h4')    2.9 0.3 0.5 
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h4')    3.0 0.3 0.5 
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h4')    2.7 0.3 0.5 
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h4')    2.6 0.3 0.5 
assign (segid A and resid 9 and name h1') (segid A and resid 9 and name h4')    2.6 0.3 0.5
assign (segid A and resid 10 and name h1') (segid A and resid 10 and name h4')  2.6 0.3 0.5 
assign (segid A and resid 11 and name h1') (segid A and resid 11 and name h4')  2.6 0.3 0.5


!intraresidual base-to-sugar


!H1'-H6/H8 
assign (segid A and resid 1 and name h1') (segid A and resid 1 and name h6)    3.2 0.3 0.5
assign (segid A and resid 2 and name h1') (segid A and resid 2 and name h8)    3.5 0.3 0.5
assign (segid A and resid 3 and name h1') (segid A and resid 3 and name h8)    3.2 0.3 0.5
assign (segid A and resid 4 and name h1') (segid A and resid 4 and name h8)    3.4 0.3 0.5
assign (segid A and resid 5 and name h1') (segid A and resid 5 and name h8)    3.3 0.3 0.5
assign (segid A and resid 6 and name h1') (segid A and resid 6 and name h6)    2.5 0.2 0.3     
assign (segid A and resid 7 and name h1') (segid A and resid 7 and name h6)    3.3 0.3 0.5    
assign (segid A and resid 8 and name h1') (segid A and resid 8 and name h6)    3.2 0.3 0.5    
assign (segid A and resid 9 and name h1') (segid A and resid 9 and name h6)    3.2 0.3 0.5
assign (segid A and resid 10 and name h1') (segid A and resid 10 and name h6)  3.3 0.3 0.5
assign (segid A and resid 11 and name h1') (segid A and resid 11 and name h8)  3.3 0.3 0.5


!H2'-H6/H8 
assign (segid A and resid 1 and name h2') (segid A and resid 1 and name h6)    2.2 0.2 0.3
assign (segid A and resid 2 and name h2') (segid A and resid 2 and name h8)    2.2 0.2 0.3
assign (segid A and resid 3 and name h2') (segid A and resid 3 and name h8)    2.2 0.2 0.3 
assign (segid A and resid 4 and name h2') (segid A and resid 4 and name h8)    2.1 0.2 0.3 
assign (segid A and resid 5 and name h2') (segid A and resid 5 and name h8)    2.1 0.2 0.3 
assign (segid A and resid 7 and name h2') (segid A and resid 7 and name h6)    2.1 0.2 0.3   
assign (segid A and resid 8 and name h2') (segid A and resid 8 and name h6)    2.1 0.2 0.3   
assign (segid A and resid 9 and name h2') (segid A and resid 9 and name h6)    2.1 0.2 0.3
assign (segid A and resid 10 and name h2') (segid A and resid 10 and name h6)  2.2 0.2 0.3
assign (segid A and resid 11 and name h2') (segid A and resid 11 and name h8)  2.1 0.2 0.3 


!H2''-H6/H8 
assign (segid A and resid 1 and name h2'') (segid A and resid 1 and name h6)   3.1 0.3 0.5 
assign (segid A and resid 3 and name h2'') (segid A and resid 3 and name h8)   3.1 0.3 0.5   
assign (segid A and resid 4 and name h2'') (segid A and resid 4 and name h8)   3.3 0.3 0.5  
assign (segid A and resid 5 and name h2'') (segid A and resid 5 and name h8)   3.2 0.3 0.5  
assign (segid A and resid 6 and name h2'') (segid A and resid 6 and name h6)   3.4 0.5 0.7    
assign (segid A and resid 7 and name h2'') (segid A and resid 7 and name h6)   3.2 0.3 0.5  
assign (segid A and resid 8 and name h2'') (segid A and resid 8 and name h6)   2.8 0.3 0.5
assign (segid A and resid 9 and name h2'') (segid A and resid 9 and name h6)   2.8 0.3 0.5  
assign (segid A and resid 10 and name h2'') (segid A and resid 10 and name h6) 3.0 0.3 0.5
assign (segid A and resid 11 and name h2'') (segid A and resid 11 and name h8) 2.8 0.3 0.5 


!H3'-H6/H8 
assign (segid A and resid 1 and name h3') (segid A and resid 1 and name h6)    3.5 0.5 0.7 
assign (segid A and resid 2 and name h3') (segid A and resid 2 and name h8)    3.3 0.5 0.7   
assign (segid A and resid 3 and name h3') (segid A and resid 3 and name h8)    3.4 0.5 0.7   
assign (segid A and resid 4 and name h3') (segid A and resid 4 and name h8)    3.5 0.5 0.7  
assign (segid A and resid 5 and name h3') (segid A and resid 5 and name h8)    3.5 0.5 0.7  
assign (segid A and resid 7 and name h3') (segid A and resid 7 and name h6)    3.4 0.5 0.7  
assign (segid A and resid 8 and name h3') (segid A and resid 8 and name h6)    3.3 0.5 0.7
assign (segid A and resid 9 and name h3') (segid A and resid 9 and name h6)    3.4 0.5 0.7  
assign (segid A and resid 10 and name h3') (segid A and resid 10 and name h6)  3.3 0.5 0.7
assign (segid A and resid 11 and name h3') (segid A and resid 11 and name h8)  3.4 0.5 0.7 


!sequential  

!H1'-H6/H8 
assign (segid A and resid 1 and name h1') (segid A and resid 2 and name h8)    3.7 0.5 0.7
assign (segid A and resid 2 and name h1') (segid A and resid 3 and name h8)    3.4 0.5 0.7
assign (segid A and resid 3 and name h1') (segid A and resid 4 and name h8)    3.5 0.5 0.7
assign (segid A and resid 4 and name h1') (segid A and resid 5 and name h8)    3.5 0.5 0.7
assign (segid A and resid 5 and name h1') (segid A and resid 6 and name h6)    3.8 0.5 0.7  
assign (segid A and resid 6 and name h1') (segid A and resid 7 and name h6)    3.4 0.5 0.7
assign (segid A and resid 7 and name h1') (segid A and resid 8 and name h6)    3.1 0.5 0.7     
assign (segid A and resid 8 and name h1') (segid A and resid 9 and name h6)    3.5 0.5 0.7
assign (segid A and resid 9 and name h1') (segid A and resid 10 and name h6)   3.6 0.5 0.7
assign (segid A and resid 10 and name h1') (segid A and resid 11 and name h8)  3.6 0.5 0.7


!H2'-H6/H8 
assign (segid A and resid 1 and name h2') (segid A and resid 2 and name h8)    2.8 0.3 0.5
assign (segid A and resid 2 and name h2') (segid A and resid 3 and name h8)    2.8 0.3 0.5
assign (segid A and resid 3 and name h2') (segid A and resid 4 and name h8)    3.1 0.3 0.5
assign (segid A and resid 6 and name h2') (segid A and resid 7 and name h6)    2.9 0.3 0.5
assign (segid A and resid 7 and name h2') (segid A and resid 8 and name h6)    2.8 0.3 0.5     
assign (segid A and resid 8 and name h2') (segid A and resid 9 and name h6)    2.9 0.3 0.5
assign (segid A and resid 9 and name h2') (segid A and resid 10 and name h6)   3.2 0.3 0.5
assign (segid A and resid 10 and name h2') (segid A and resid 11 and name h8)  2.9 0.3 0.5


!H2''-H6/H8 
assign (segid A and resid 1 and name h2'') (segid A and resid 2 and name h8)   2.9 0.3 0.5 
assign (segid A and resid 3 and name h2'') (segid A and resid 4 and name h8)   2.6 0.3 0.5   
assign (segid A and resid 4 and name h2'') (segid A and resid 5 and name h8)   2.8 0.3 0.5
assign (segid A and resid 5 and name h2'') (segid A and resid 6 and name h6)   3.4 0.5 0.7
assign (segid A and resid 6 and name h2'') (segid A and resid 7 and name h6)   2.6 0.3 0.5
assign (segid A and resid 7 and name h2'') (segid A and resid 8 and name h6)   2.5 0.3 0.5
assign (segid A and resid 8 and name h2'') (segid A and resid 9 and name h6)   2.6 0.3 0.5
assign (segid A and resid 9 and name h2'') (segid A and resid 10 and name h6)  2.6 0.3 0.5
assign (segid A and resid 10 and name h2'') (segid A and resid 11 and name h8) 2.9 0.3 0.5


!H3'-H6/H8 
assign (segid A and resid 1 and name h3') (segid A and resid 2 and name h8)    3.6 0.5 0.7
assign (segid A and resid 2 and name h3') (segid A and resid 3 and name h8)    4.0 0.5 0.7
assign (segid A and resid 4 and name h3') (segid A and resid 5 and name h8)    4.5 0.7 1.0
assign (segid A and resid 7 and name h3') (segid A and resid 8 and name h6)    3.7 0.5 0.7     
assign (segid A and resid 10 and name h3') (segid A and resid 11 and name h8)  4.0 0.5 0.7



!long-range interstrand

assign (segid A and resid 3 and name h2) (segid B and resid 10 and name h1')   4.2 0.5 0.7
assign (segid A and resid 4 and name h2) (segid B and resid 9 and name h1')    3.9 0.5 0.7
assign (segid A and resid 5 and name h2) (segid B and resid 8 and name h1')    3.7 0.5 0.7


!other

assign (segid A and resid 2 and name h8) (segid A and resid 3 and name h8)      3.7 0.5 0.7
assign (segid A and resid 1 and name h6) (segid A and resid 2 and name h8)      3.6 0.5 0.7
assign (segid A and resid 10 and name h6) (segid A and resid 11 and name h8)    3.5 0.5 0.7
assign (segid A and resid 4 and name h2) (segid A and resid 5 and name h2)      4.3 0.7 1.0
assign (segid A and resid 5 and name h2) (segid A and resid 6 and name h6)      4.0 0.5 0.7 

assign (segid A and resid 5 and name h2) (segid A and resid 6 and name h1')     3.8 0.5 0.7  

assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h2')    3.5 0.5 0.7
assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h6)     4.5 0.7 1.0 
assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h5)     4.0 0.5 0.7 

assign (segid A and resid 10 and name h5) (segid A and resid 9 and name h2')    4.0 0.5 0.7 
assign (segid A and resid 10 and name h5) (segid A and resid 9 and name h1')    3.3 0.5 0.7

assign (segid A and resid 9 and name h7#) (segid A and resid 10 and name h5)    3.6 0.5 0.7 

assign (segid A and resid 7 and name h1') (segid A and resid 8 and name h7#)    3.6 0.5 0.7
assign (segid A and resid 7 and name h2'') (segid A and resid 8 and name h7#)   3.3 0.5 0.7
assign (segid A and resid 7 and name h6) (segid A and resid 8 and name h7#)     3.0 0.3 0.5


assign (segid A and resid 8 and name h1') (segid A and resid 9 and name h7#)    3.8 0.5 0.7
assign (segid A and resid 8 and name h2') (segid A and resid 9 and name h7#)    2.8 0.3 0.5
assign (segid A and resid 8 and name h2'') (segid A and resid 9 and name h7#)   3.3 0.5 0.7
assign (segid A and resid 8 and name h6) (segid A and resid 9 and name h7#)     2.7 0.3 0.5


!linker

assign (segid A and resid 6 and name h5) (segid A and resid 6 and name h1#)     2.5 0.3 0.5

assign (segid A and resid 6 and name h1#) (segid A and resid 6 and name h2#)    2.1 0.2 0.3
assign (segid A and resid 6 and name h1#) (segid A and resid 6 and name h3#)    2.3 0.2 0.3
assign (segid A and resid 6 and name h2#) (segid A and resid 6 and name h3#)    2.1 0.2 0.3
assign (segid A and resid 6 and name h2#) (segid A and resid 6 and name h4#)    2.2 0.2 0.3


!repulsions (not count)

assign (segid A and resid 6 and name h5) (segid A and resid 6 and name h2#)     4.5 0.5 99.0     
assign (segid A and resid 6 and name h5) (segid B and resid 6 and name h2#)     4.5 0.5 99.0     

assign (segid A and resid 6 and name h5) (segid A and resid 6 and name h3#)     4.5 0.5 99.0     
assign (segid A and resid 6 and name h5) (segid B and resid 6 and name h3#)     4.5 0.5 99.0     

assign (segid A and resid 6 and name h5) (segid A and resid 6 and name h4#)     4.5 0.5 99.0     
assign (segid B and resid 6 and name h5) (segid A and resid 6 and name h4#)     4.5 0.5 99.0     


assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h2)      4.5 0.5 99.0

assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h2')     4.5 0.5 99.0
assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h2'')    4.0 0.5 99.0
assign (segid A and resid 6 and name h5) (segid A and resid 5 and name h8)      4.5 0.5 99.0


assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h1#)    4.5 0.5 99.0
assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h2#)    4.5 0.5 99.0
assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h3#)    4.5 0.5 99.0
assign (segid A and resid 7 and name h7#) (segid A and resid 6 and name h4#)    4.5 0.5 99.0

assign (segid A and resid 7 and name h7#) (segid B and resid 6 and name h1#)    4.5 0.5 99.0
assign (segid A and resid 7 and name h7#) (segid B and resid 6 and name h2#)    4.5 0.5 99.0
assign (segid A and resid 7 and name h7#) (segid B and resid 6 and name h3#)    4.5 0.5 99.0


assign (segid A and resid 5 and name h2) (segid A and resid 6 and name h1#)     4.5 0.5 99.0
assign (segid A and resid 5 and name h8) (segid A and resid 6 and name h1#)     4.5 0.5 99.0
assign (segid A and resid 5 and name h2) (segid B and resid 6 and name h1#)     4.5 0.5 99.0
assign (segid A and resid 5 and name h8) (segid B and resid 6 and name h1#)     4.5 0.5 99.0

assign (segid A and resid 5 and name h2) (segid A and resid 6 and name h4#)     4.5 0.5 99.0
assign (segid A and resid 5 and name h8) (segid A and resid 6 and name h4#)     4.5 0.5 99.0
assign (segid B and resid 5 and name h2) (segid A and resid 6 and name h4#)     4.5 0.5 99.0
assign (segid B and resid 5 and name h8) (segid A and resid 6 and name h4#)     4.5 0.5 99.0

assign (segid A and resid 1 and name h4#) (segid B and resid 10 and name h4#)   4.5 0.5 99.0
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Contact the webmaster for help, if required. Friday, May 10, 2024 5:09:08 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	567561	2lzv	18780	cing	1-original	1	XPLOR/CNS	distance	NOE	simple