NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage position program type subtype subsubtype

8172 1lqh cing recoord 1-original 3 XPLOR/CNS distance hydrogen bond simple

!! H-bonds
!! beta sheet
assign (resid    3 and  name HN  )(resid   52 and  name O   ) 2.1 0.6 0.2
assign (resid    3 and  name  N  )(resid   52 and  name O   ) 3.1 0.6 0.2
assign (resid   52 and  name HN  )(resid    3 and  name O   ) 2.1 0.6 0.2
assign (resid   52 and  name  N  )(resid    3 and  name O   ) 3.1 0.6 0.2
assign (resid    5 and  name HN  )(resid   49 and  name O   ) 2.1 0.6 0.2
assign (resid    5 and  name  N  )(resid   49 and  name O   ) 3.1 0.6 0.2
assign (resid   49 and  name HN  )(resid    5 and  name O   ) 2.1 0.6 0.2
assign (resid   49 and  name  N  )(resid    5 and  name O   ) 3.1 0.6 0.2
assign (resid   50 and  name HN  )(resid   34 and  name O   ) 2.1 0.6 0.2
assign (resid   50 and  name  N  )(resid   34 and  name O   ) 3.1 0.6 0.2
assign (resid   38 and  name HN  )(resid   46 and  name O   ) 2.1 0.6 0.2
assign (resid   38 and  name  N  )(resid   46 and  name O   ) 3.1 0.6 0.2
assign (resid   46 and  name HN  )(resid   38 and  name O   ) 2.1 0.6 0.2
assign (resid   46 and  name  N  )(resid   38 and  name O   ) 3.1 0.6 0.2
assign (resid   36 and  name HN  )(resid   48 and  name O   ) 2.1 0.6 0.2
assign (resid   36 and  name  N  )(resid   48 and  name O   ) 3.1 0.6 0.2
assign (resid   48 and  name HN  )(resid   36 and  name O   ) 2.1 0.6 0.2
assign (resid   48 and  name  N  )(resid   36 and  name O   ) 3.1 0.6 0.2
assign (resid   40 and  name HN  )(resid   44 and  name O   ) 2.1 0.6 0.2
assign (resid   40 and  name  N  )(resid   44 and  name O   ) 3.1 0.6 0.2
!! alpha helix and posthelical turn
assign (resid   24 and  name HN  )(resid   20 and  name O   ) 2.1 0.6 0.2
assign (resid   24 and  name  N  )(resid   20 and  name O   ) 3.1 0.6 0.2
assign (resid   25 and  name HN  )(resid   21 and  name O   ) 2.1 0.6 0.2
assign (resid   25 and  name  N  )(resid   21 and  name O   ) 3.1 0.6 0.2 
assign (resid   26 and  name HN  )(resid   22 and  name O   ) 2.1 0.6 0.2
assign (resid   26 and  name  N  )(resid   22 and  name O   ) 3.1 0.6 0.2
assign (resid   27 and  name HN  )(resid   23 and  name O   ) 2.1 0.6 0.2
assign (resid   27 and  name  N  )(resid   23 and  name O   ) 3.1 0.6 0.2
assign (resid   28 and  name HN  )(resid   24 and  name O   ) 2.1 0.6 0.2
assign (resid   28 and  name  N  )(resid   24 and  name O   ) 3.1 0.6 0.2
assign (resid   29 and  name HN  )(resid   25 and  name O   ) 2.1 0.6 0.2
assign (resid   29 and  name  N  )(resid   25 and  name O   ) 3.1 0.6 0.2
assign (resid   30 and  name HN  )(resid   26 and  name O   ) 2.1 0.6 0.2
assign (resid   30 and  name  N  )(resid   26 and  name O   ) 3.1 0.6 0.2
assign (resid   31 and  name HN  )(resid   28 and  name O   ) 2.1 0.6 0.2
assign (resid   31 and  name  N  )(resid   28 and  name O   ) 3.1 0.6 0.2
assign (resid   32 and  name HN  )(resid   27 and  name O   ) 2.1 0.6 0.2
assign (resid   32 and  name  N  )(resid   27 and  name O   ) 3.1 0.6 0.2
assign (resid   33 and  name HN  )(resid   50 and  name O   ) 2.1 0.6 0.2
assign (resid   33 and  name  N  )(resid   50 and  name O   ) 3.1 0.6 0.2
!! turn 56-53
assign (resid   56 and  name HN  )(resid   53 and  name O   ) 2.1 0.6 0.2
assign (resid   56 and  name  N  )(resid   53 and  name O   ) 3.1 0.6 0.2
!! turn 44-41
assign (resid   44 and  name HN  )(resid   41 and  name O   ) 2.1 0.6 0.2
assign (resid   44 and  name  N  )(resid   41 and  name O   ) 3.1 0.6 0.2
!! turn 13-9
assign (resid    9 and  name HN  )(resid   13 and  name O   ) 2.1 0.6 0.2
assign (resid    9 and  name  N  )(resid   13 and  name O   ) 3.1 0.6 0.2
!! long-range backbone hydrogen bonds
assign (resid    8 and  name HN  )(resid   57 and  name O   ) 2.1 0.6 0.2
assign (resid    8 and  name  N  )(resid   57 and  name O   ) 3.1 0.6 0.2
assign (resid   59 and  name HN  )(resid    6 and  name O   ) 2.1 0.6 0.2
assign (resid   59 and  name  N  )(resid    6 and  name O   ) 3.1 0.6 0.2
assign (resid   65 and  name HN  )(resid   11 and  name O   ) 2.1 0.6 0.2
assign (resid   65 and  name  N  )(resid   11 and  name O   ) 3.1 0.6 0.2
!! long-range sidechain hydrogen bonds
assign (resid   60 and  name HN  )(resid   12 and  name OD1 ) 2.1 0.6 0.2
assign (resid   60 and  name  N  )(resid   12 and  name OD1 ) 3.1 0.6 0.2
assign (resid   12 and  name HD22 )(resid  60 and  name O   ) 2.1 0.6 0.2
assign (resid   12 and  name ND2  )(resid  60 and  name O   ) 3.1 0.6 0.2
assign (resid   12 and  name HD21 )(resid  63 and  name O   ) 2.1 0.6 0.2
assign (resid   12 and  name ND2  )(resid  63 and  name O   ) 3.1 0.6 0.2
assign (resid   59 and  name HE  )(resid   12 and  name O   ) 2.1 0.6 0.2
assign (resid   59 and  name NE  )(resid   12 and  name O   ) 3.1 0.6 0.2
assign (resid   51 and  name HN  )(resid    4 and  name OD1 ) 2.1 0.6 0.2
assign (resid   51 and  name  N  )(resid    4 and  name OD1 ) 3.1 0.6 0.2
assign (resid   37 and  name HN  )(resid   20 and  name OD1 ) 2.1 0.6 0.2
assign (resid   37 and  name  N  )(resid   20 and  name OD1 ) 3.1 0.6 0.2
assign (resid   30 and  name HD21 )(resid   26 and  name O  ) 2.1 0.6 0.2
assign (resid   30 and  name ND2  )(resid   26 and  name O  ) 3.1 0.6 0.2
assign (resid    3 and  name HE  )(resid   56 and  name  O  ) 2.1 0.6 0.2
assign (resid    3 and  name NE  )(resid   56 and  name  O  ) 3.1 0.6 0.2
assign (resid    2 and  name HN  )(resid   54 and  name OD1 ) 2.1 0.6 0.2
assign (resid    2 and  name  N  )(resid   54 and  name OD1 ) 3.1 0.6 0.2

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image	mrblock_id	pdb_id	cing	in_recoord	stage	position	program	type	subtype	subsubtype
	8172	1lqh	cing	recoord	1-original	3	XPLOR/CNS	distance	hydrogen bond	simple