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

21098 2h3k 6759 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


!HBONDS that were fOund in 70% or more structures or more
 !3.3/90 degrees
 !
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !#################################################################
 !B-Strand #1 tO #2 to #3
 !#################################################################
 !
 assign (resid 27 and name O)  (resid 50 and name N) 3.3 1.0 0.2
 assign (resid 27 and name O) (resid 50 and name HN) 2.3 1.0 0.2
 assign (resid 50 and name O)  (resid 27 and name N) 3.3 1.0 0.2
 assign (resid 50 and name O) (resid 27 and name HN) 2.3 1.0 0.2
 assign (resid 30 and name O)  (resid 133 and name N) 3.3 1.0 0.2
 assign (resid 30 and name O) (resid 133 and name HN) 2.3 1.0 0.2
 assign (resid 133 and name O)  (resid 30 and name N) 3.3 1.0 0.2
 assign (resid 133 and name O) (resid 30 and name HN) 2.3 1.0 0.2
 assign (resid 32 and name O)  (resid 131 and name N) 3.3 1.0 0.2
 assign (resid 32 and name O) (resid 131 and name HN) 2.3 1.0 0.2
 assign (resid 131 and name O)  (resid 32 and name N) 3.3 1.0 0.2
 assign (resid 131 and name O) (resid 32 and name HN) 2.3 1.0 0.2
 !assign (resid 75 and name O)  (resid 114 and name N) 3.3 1.0 0.2
 !assign (resid 75 and name O) (resid 114 and name HN) 2.3 1.0 0.2
 !assign (resid 114 and name O)  (resid 75 and name N) 3.3 1.0 0.2
 !assign (resid 114 and name O) (resid 75 and name HN) 2.3 1.0 0.2
 assign (resid 61 and name O)  (resid 102 and name N) 3.3 1.0 0.2
 assign (resid 61 and name O) (resid 102 and name HN) 2.3 1.0 0.2
 assign (resid 102 and name O)  (resid 61 and name N) 3.3 1.0 0.2
 assign (resid 102 and name O) (resid 61 and name HN) 2.3 1.0 0.2
 assign (resid 63 and name O)  (resid 100 and name N) 3.3 1.0 0.2
 assign (resid 63 and name O) (resid 100 and name HN) 2.3 1.0 0.2
 assign (resid 100 and name O)  (resid 63 and name N) 3.3 1.0 0.2
 assign (resid 100 and name O) (resid 63 and name HN) 2.3 1.0 0.2
 assign (resid 65 and name O)  (resid 98 and name N) 3.3 1.0 0.2
 assign (resid 65 and name O) (resid 98 and name HN) 2.3 1.0 0.2
 assign (resid 98 and name O)  (resid 65 and name N) 3.3 1.0 0.2
 assign (resid 98 and name O) (resid 65 and name HN) 2.3 1.0 0.2
 assign (resid 112 and name O)  (resid 77 and name N) 3.3 1.0 0.2
 assign (resid 112 and name O) (resid 77 and name HN) 2.3 1.0 0.2
 assign (resid 77 and name O)  (resid 112 and name N) 3.3 1.0 0.2
 assign (resid 77 and name O) (resid 112 and name HN) 2.3 1.0 0.2
 !assign (resid 86 and name O)  (resid 101 and name N) 3.3 1.0 0.2
 !assign (resid 86 and name O) (resid 101 and name HN) 2.3 1.0 0.2
 !assign (resid 101 and name O)  (resid 86 and name N) 3.3 1.0 0.2
 !assign (resid 101 and name O) (resid 86 and name HN) 2.3 1.0 0.2
 assign (resid 89 and name O)  (resid 99 and name N) 3.3 1.0 0.2
 assign (resid 89 and name O) (resid 99 and name HN) 2.3 1.0 0.2
 assign (resid 53 and name O)  (resid 60 and name N) 3.3 1.0 0.2
 assign (resid 53 and name O) (resid 60 and name HN) 2.3 1.0 0.2
 assign (resid 60 and name O)  (resid 53 and name N) 3.3 1.0 0.2
 assign (resid 60 and name O) (resid 53 and name HN) 2.3 1.0 0.2
 assign (resid 51 and name O)  (resid 62 and name N) 3.3 1.0 0.2
 assign (resid 51 and name O) (resid 62 and name HN) 2.3 1.0 0.2
 assign (resid 62 and name O)  (resid 51 and name N) 3.3 1.0 0.2
 assign (resid 62 and name O) (resid 51 and name HN) 2.3 1.0 0.2
 !assign (resid 59 and name O)  (resid 104 and name N) 3.3 1.0 0.2
 !assign (resid 59 and name O) (resid 104 and name HN) 2.3 1.0 0.2
 !assign (resid 104 and name O)  (resid 59 and name N) 3.3 1.0 0.2
 !assign (resid 104 and name O) (resid 59 and name HN) 2.3 1.0 0.2
 assign (resid 52 and name O)  (resid 25 and name N) 3.3 1.0 0.2
 assign (resid 52 and name O) (resid 25 and name HN) 2.3 1.0 0.2
 assign (resid 25 and name O)  (resid 52 and name N) 3.3 1.0 0.2
 assign (resid 25 and name O) (resid 52 and name HN) 2.3 1.0 0.2
 assign (resid 111 and name O)  (resid 132 and name N) 3.3 1.0 0.2
 assign (resid 111 and name O) (resid 132 and name HN) 2.3 1.0 0.2
 assign (resid 132 and name O)  (resid 111 and name N) 3.3 1.0 0.2
 assign (resid 132 and name O) (resid 111 and name HN) 2.3 1.0 0.2
 assign (resid 117 and name O)  (resid 125 and name N) 3.3 1.0 0.2
 assign (resid 117 and name O) (resid 125 and name HN) 2.3 1.0 0.2
 assign (resid 125 and name O)  (resid 117 and name N) 3.3 1.0 0.2
 assign (resid 125 and name O) (resid 117 and name HN) 2.3 1.0 0.2
 assign (resid 109 and name O)  (resid 134 and name N) 3.3 1.0 0.2
 assign (resid 109 and name O) (resid 134 and name HN) 2.3 1.0 0.2
 assign (resid 113 and name O)  (resid 130 and name N) 3.3 1.0 0.2
 assign (resid 113 and name O) (resid 130 and name HN) 2.3 1.0 0.2
 assign (resid 130 and name O)  (resid 113 and name N) 3.3 1.0 0.2
 assign (resid 130 and name O) (resid 113 and name HN) 2.3 1.0 0.2
 !!
 !!!!!!!!!!!!!!!!!! HBONDS for helix
 assign  (resid 9 and name HN)
  (resid 5 and name O )  2.3     0.5     0.2
 assign  (resid 9 and name N )
  (resid 5 and name O )  3.3     0.8     0.2
 assign  (resid 8 and name HN)
  (resid 4 and name O )  2.3     0.5     0.2
 assign  (resid 8 and name N )
  (resid 4 and name O )  3.3     0.8     0.2
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!!!!!!!! these H-bonds were put in based on positions in 6 structures (looked good)
 assign (resid 76 and name O)  (resid 83 and name N) 3.3 1.0 0.2
 assign (resid 76 and name O) (resid 83 and name HN) 2.3 1.0 0.2
 assign (resid 105 and name O)  (resid 108 and name N) 3.3 1.0 0.2
 assign (resid 105 and name O) (resid 108 and name HN) 2.3 1.0 0.2
 assign (resid 67 and name O)  (resid 70 and name N) 3.3 1.0 0.2
 assign (resid 67 and name O) (resid 70 and name HN) 2.3 1.0 0.2
 !
 !#################################################################

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, May 3, 2024 6:31:08 AM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	21098	2h3k	6759	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple