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

512703 2lek 16377 cing 1-original 5 XPLOR/CNS distance hydrogen bond simple

! Hydrogen Bond restraints used in refinement
! Identification of hydrogen bonds from Rosetta refined structures
! Restraint range is HN-O 1.7-2.3 Ang, N-O 2.7-3.3 Ang
assign (resid   3  and name HN )(resid  10  and name O ) 1.7  0.0  0.6
assign (resid   3  and name N  )(resid  10  and name O ) 2.7  0.0  0.6
!assign (resid   4  and name HN )(resid  54  and name O ) 1.7  0.0  0.6
!assign (resid   4  and name N  )(resid  54  and name O ) 2.7  0.0  0.6
assign (resid   5  and name HN )(resid  8  and name O ) 1.7  0.0  0.6
assign (resid   5  and name N  )(resid  8  and name O ) 2.7  0.0  0.6
assign (resid   6  and name HN )(resid  56  and name O ) 1.7  0.0  0.6
assign (resid   6  and name N  )(resid  56  and name O ) 2.7  0.0  0.6
assign (resid   8  and name HN )(resid  5  and name O ) 1.7  0.0  0.6
assign (resid   8  and name N  )(resid  5  and name O ) 2.7  0.0  0.6
assign (resid   10  and name HN )(resid  3  and name O ) 1.7  0.0  0.6
assign (resid   10  and name N  )(resid  3  and name O ) 2.7  0.0  0.6
assign (resid   12  and name HN )(resid  1  and name O ) 1.7  0.0  0.6
assign (resid   12  and name N  )(resid  1  and name O ) 2.7  0.0  0.6
assign (resid   17  and name HN )(resid  48  and name O ) 1.7  0.0  0.6
assign (resid   17  and name N  )(resid  48  and name O ) 2.7  0.0  0.6
!assign (resid   18  and name HN )(resid  45  and name O ) 1.7  0.0  0.6
!assign (resid   18  and name N  )(resid  45  and name O ) 2.7  0.0  0.6
assign (resid   20  and name HN )(resid  16  and name O ) 1.7  0.0  0.6
assign (resid   20  and name N  )(resid  16  and name O ) 2.7  0.0  0.6
assign (resid   21  and name HN )(resid  17  and name O ) 1.7  0.0  0.6
assign (resid   21  and name N  )(resid  17  and name O ) 2.7  0.0  0.6
assign (resid   22  and name HN )(resid  18  and name O ) 1.7  0.0  0.6
assign (resid   22  and name N  )(resid  18  and name O ) 2.7  0.0  0.6
assign (resid   23  and name HN )(resid  19  and name O ) 1.7  0.0  0.6
assign (resid   23  and name N  )(resid  19  and name O ) 2.7  0.0  0.6
assign (resid   24  and name HN )(resid  20  and name O ) 1.7  0.0  0.6
assign (resid   24  and name N  )(resid  20  and name O ) 2.7  0.0  0.6
!assign (resid   25  and name HN )(resid  22  and name O ) 1.7  0.0  0.6
!assign (resid   25  and name N  )(resid  22  and name O ) 2.7  0.0  0.6
assign (resid   26  and name HN )(resid  21  and name O ) 1.7  0.0  0.6
assign (resid   26  and name N  )(resid  21  and name O ) 2.7  0.0  0.6
assign (resid   32  and name HN )(resid  59  and name O ) 1.7  0.0  0.6
assign (resid   32  and name N  )(resid  59  and name O ) 2.7  0.0  0.6
assign (resid   34  and name HN )(resid  57  and name O ) 1.7  0.0  0.6
assign (resid   34  and name N  )(resid  57  and name O ) 2.7  0.0  0.6
assign (resid   35  and name HN )(resid  38  and name O ) 1.7  0.0  0.6
assign (resid   35  and name N  )(resid  38  and name O ) 2.7  0.0  0.6
assign (resid   36  and name HN )(resid  55  and name O ) 1.7  0.0  0.6
assign (resid   36  and name N  )(resid  55  and name O ) 2.7  0.0  0.6
assign (resid   40  and name HN )(resid  33  and name O ) 1.7  0.0  0.6
assign (resid   40  and name N  )(resid  33  and name O ) 2.7  0.0  0.6
assign (resid   44  and name HN )(resid  41  and name O ) 1.7  0.0  0.6
assign (resid   44  and name N  )(resid  41  and name O ) 2.7  0.0  0.6
assign (resid   45  and name HN )(resid  42  and name O ) 1.7  0.0  0.6
assign (resid   45  and name N  )(resid  42  and name O ) 2.7  0.0  0.6
assign (resid   48      and name HN     )(resid  44     and name O      ) 1.7  0.0  0.6
assign (resid   48      and name N      )(resid  44     and name O      ) 2.7  0.0  0.6
assign (resid   53  and name HN )(resid  2  and name O ) 1.7  0.0  0.6
assign (resid   53  and name N  )(resid  2  and name O ) 2.7  0.0  0.6
!assign (resid   54  and name HN )(resid  51  and name O ) 1.7  0.0  0.6
!assign (resid   54  and name N  )(resid  51  and name O ) 2.7  0.0  0.6
assign (resid   56  and name HN )(resid  4  and name O ) 1.7  0.0  0.6
assign (resid   56  and name N  )(resid  4  and name O ) 2.7  0.0  0.6
assign (resid   57  and name HN )(resid  34  and name O ) 1.7  0.0  0.6
assign (resid   57  and name N  )(resid  34  and name O ) 2.7  0.0  0.6
assign (resid   59  and name HN )(resid  32  and name O ) 1.7  0.0  0.6
assign (resid   59  and name N  )(resid  32  and name O ) 2.7  0.0  0.6

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Contact the webmaster for help, if required. Monday, April 29, 2024 8:20:00 AM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	512703	2lek	16377	cing	1-original	5	XPLOR/CNS	distance	hydrogen bond	simple