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

22819 2jrb 15325 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple


!Hydrogen bond restraints, determined by NOE patterns

!TURNS
assign (resid 37 and name HN)
 (resid 34 and name O ) 2.3 0.5 0.2
assign  (resid 37 and name N )
 (resid 34 and name O ) 3.3 0.8 0.2
assign (resid 48 and name HN)
 (resid 45 and name O ) 2.3 0.5 0.2
assign  (resid 48 and name N )
 (resid 45 and name O ) 3.3 0.8 0.2
assign (resid 55 and name HN)
 (resid 53 and name O ) 2.3 0.5 0.2
assign  (resid 55 and name N )
 (resid 53 and name O ) 3.3 0.8 0.2
assign (resid 80 and name HN)
 (resid 76 and name O ) 2.3 0.5 0.2
assign  (resid 80 and name N )
 (resid 76 and name O ) 3.3 0.8 0.2

!Helix 1
assign (resid 23 and name HN)
 (resid 19 and name O ) 2.3 0.5 0.2
assign  (resid 23 and name N )
 (resid 19 and name O ) 3.3 0.8 0.2
assign (resid 24 and name HN)
 (resid 20 and name O ) 2.3 0.5 0.2
assign  (resid 24 and name N )
 (resid 20 and name O ) 3.3 0.8 0.2
assign (resid 25 and name HN)
 (resid 21 and name O ) 2.3 0.5 0.2
assign  (resid 25 and name N )
 (resid 21 and name O ) 3.3 0.8 0.2
assign (resid 26 and name HN)
 (resid 22 and name O ) 2.3 0.5 0.2
assign  (resid 26 and name N )
 (resid 22 and name O ) 3.3 0.8 0.2
assign (resid 27 and name HN)
 (resid 23 and name O ) 2.3 0.5 0.2
assign  (resid 27 and name N )
 (resid 23 and name O ) 3.3 0.8 0.2
assign  (resid 28 and name HN)
        (resid 24 and name O )  2.3     0.5     0.2
assign  (resid 28 and name N )
        (resid 24 and name O )  3.3     0.8     0.2
assign  (resid 29 and name HN)
        (resid 25 and name O )  2.3     0.5     0.2
assign  (resid 29 and name N )
        (resid 25 and name O )  3.3     0.8     0.2
assign  (resid 30 and name HN)
        (resid 26 and name O )  2.3     0.5     0.2
assign  (resid 30 and name N )
        (resid 26 and name O )  3.3     0.8     0.2
assign  (resid 31 and name HN)
        (resid 27 and name O )  2.3     0.5     0.2
assign  (resid 31 and name N )
        (resid 27 and name O )  3.3     0.8     0.2
assign  (resid 32 and name HN)
        (resid 28 and name O )  2.3     0.5     0.2
assign  (resid 32 and name N )
        (resid 28 and name O )  3.3     0.8     0.2
assign  (resid 33 and name HN)
        (resid 29 and name O )  2.3     0.5     0.2
assign  (resid 33 and name N )
        (resid 29 and name O )  3.3     0.8     0.2

!B-Strand #1 to #2 to #3
assign (resid 48 and name o)  (resid 44 and name n) 3.3 1.0 0.2
assign (resid 48 and name o) (resid 44 and name hn) 2.3 1.0 0.2
assign (resid 44 and name o)  (resid 48 and name n) 3.3 1.0 0.2
assign (resid 44 and name o) (resid 48 and name hn) 2.3 1.0 0.2
assign (resid 50 and name o)  (resid 42 and name n) 3.3 1.0 0.2
assign (resid 50 and name o) (resid 42 and name hn) 2.3 1.0 0.2
assign (resid 42 and name o)  (resid 50 and name n) 3.3 1.0 0.2
assign (resid 42 and name o) (resid 50 and name hn) 2.3 1.0 0.2
assign (resid 49 and name o)  (resid 60 and name n) 3.3 1.0 0.2
assign (resid 49 and name o) (resid 60 and name hn) 2.3 1.0 0.2
assign (resid 60 and name o)  (resid 49 and name n) 3.3 1.0 0.2
assign (resid 60 and name o) (resid 49 and name hn) 2.3 1.0 0.2
assign (resid 51 and name o)  (resid 58 and name n) 3.3 1.0 0.2
assign (resid 51 and name o) (resid 58 and name hn) 2.3 1.0 0.2
assign (resid 58 and name o)  (resid 51 and name n) 3.3 1.0 0.2
assign (resid 58 and name o) (resid 51 and name hn) 2.3 1.0 0.2

!HELIX 2
assign  (resid 67 and name HN)
        (resid 63 and name O )  2.3     0.5     0.2
assign  (resid 67 and name N )
        (resid 63 and name O )  3.3     0.8     0.2
assign  (resid 68 and name HN)
        (resid 64 and name O )  2.3     0.5     0.2
assign  (resid 68 and name N )
        (resid 64 and name O )  3.3     0.8     0.2
assign  (resid 69 and name HN)
        (resid 65 and name O )  2.3     0.5     0.2
assign  (resid 69 and name N )
        (resid 65 and name O )  3.3     0.8     0.2
assign  (resid 70 and name HN)
        (resid 66 and name O )  2.3     0.5     0.2
assign  (resid 70 and name N )
        (resid 66 and name O )  3.3     0.8     0.2
assign  (resid 72 and name HN)
        (resid 68 and name O )  2.3     0.5     0.2
assign  (resid 72 and name N )
        (resid 68 and name O )  3.3     0.8     0.2
assign  (resid 74 and name HN)
        (resid 70 and name O )  2.3     0.5     0.2
assign  (resid 74 and name N )
        (resid 70 and name O )  3.3     0.8     0.2
!HELIX 3
assign  (resid 78 and name HN)
        (resid 74 and name O )  2.3     0.5     0.2
assign  (resid 78 and name N )
        (resid 74 and name O )  3.3     0.8     0.2
assign  (resid 79 and name HN)
        (resid 75 and name O )  2.3     0.5     0.2
assign  (resid 79 and name N )
        (resid 75 and name O )  3.3     0.8     0.2
assign (resid 80 and name HN)
 (resid 76 and name O ) 2.3 0.5 0.2
assign  (resid 80 and name N )
 (resid 76 and name O ) 3.3 0.8 0.2

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Contact the webmaster for help, if required. Tuesday, July 2, 2024 12:24:32 AM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	22819	2jrb	15325	cing	1-original	4	XPLOR/CNS	distance	hydrogen bond	simple