BMRB

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
516110 2hji RC 7103 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple



!hbonds in helices

assign (resid   21 and  name o    )(resid  25 and  name n    ) 3.5 0.4 0.7
assign (resid   21 and  name o    )(resid  25 and  name hn   ) 2.5 0.4 0.7
assign (resid   22 and  name o    )(resid  26 and  name n    ) 3.5 0.4 0.7
assign (resid   22 and  name o    )(resid  26 and  name hn   ) 2.5 0.4 0.7
assign (resid   23 and  name o    )(resid  27 and  name n    ) 3.5 0.4 0.7
assign (resid   23 and  name o    )(resid  27 and  name hn   ) 2.5 0.4 0.7
assign (resid   25 and  name o    )(resid  29 and  name n    ) 3.5 0.4 0.7
assign (resid   25 and  name o    )(resid  29 and  name hn   ) 2.5 0.4 0.7
assign (resid   26 and  name o    )(resid  30 and  name n    ) 3.5 0.4 0.7
assign (resid   26 and  name o    )(resid  30 and  name hn   ) 2.5 0.4 0.7
assign (resid   27 and  name o    )(resid  31 and  name n    ) 3.5 0.4 0.7
assign (resid   27 and  name o    )(resid  31 and  name hn   ) 2.5 0.4 0.7
assign (resid   28 and  name o    )(resid  32 and  name n    ) 3.5 0.4 0.7
assign (resid   28 and  name o    )(resid  32 and  name hn   ) 2.5 0.4 0.7
assign (resid   50 and  name o    )(resid  54 and  name n    ) 3.5 0.4 0.7
assign (resid   50 and  name o    )(resid  54 and  name hn   ) 2.5 0.4 0.7
assign (resid   51 and  name o    )(resid  55 and  name n    ) 3.5 0.4 0.7
assign (resid   51 and  name o    )(resid  55 and  name hn   ) 2.5 0.4 0.7
assign (resid   52 and  name o    )(resid  56 and  name n    ) 3.5 0.4 0.7
assign (resid   52 and  name o    )(resid  56 and  name hn   ) 2.5 0.4 0.7
assign (resid   53 and  name o    )(resid  57 and  name n    ) 3.5 0.4 0.7
assign (resid   53 and  name o    )(resid  57 and  name hn   ) 2.5 0.4 0.7
assign (resid   54 and  name o    )(resid  58 and  name ne2    ) 3.5 0.4 0.7
assign (resid   54 and  name o    )(resid  58 and  name he21   ) 2.5 0.4 0.7
assign (resid   57 and  name o    )(resid  61 and  name n    ) 3.5 0.4 0.7
assign (resid   57 and  name o    )(resid  61 and  name hn   ) 2.5 0.4 0.7
assign (resid   58 and  name o    )(resid  62 and  name n    ) 3.5 0.4 0.7
assign (resid   58 and  name o    )(resid  62 and  name hn   ) 2.5 0.4 0.7
assign (resid   59 and  name o    )(resid  63 and  name n    ) 3.5 0.4 0.7
assign (resid   59 and  name o    )(resid  63 and  name hn   ) 2.5 0.4 0.7
assign (resid   60 and  name o    )(resid  64 and  name n    ) 3.5 0.4 0.7
assign (resid   60 and  name o    )(resid  64 and  name hn   ) 2.5 0.4 0.7
assign (resid   61 and  name o    )(resid  65 and  name n    ) 3.5 0.4 0.7
assign (resid   61 and  name o    )(resid  65 and  name hn   ) 2.5 0.4 0.7
assign (resid   83 and  name o    )(resid  87 and  name n    ) 3.5 0.4 0.7
assign (resid   83 and  name o    )(resid  87 and  name hn   ) 2.5 0.4 0.7
assign (resid   84 and  name o    )(resid  88 and  name n    ) 3.5 0.4 0.7
assign (resid   84 and  name o    )(resid  88 and  name hn   ) 2.5 0.4 0.7
assign (resid   85 and  name o    )(resid  89 and  name n    ) 3.5 0.4 0.7
assign (resid   85 and  name o    )(resid  89 and  name hn   ) 2.5 0.4 0.7
assign (resid   86 and  name o    )(resid  90 and  name n    ) 3.5 0.4 0.7
assign (resid   86 and  name o    )(resid  90 and  name hn   ) 2.5 0.4 0.7
assign (resid   87 and  name o    )(resid  91 and  name n    ) 3.5 0.4 0.7
assign (resid   87 and  name o    )(resid  91 and  name hn   ) 2.5 0.4 0.7
assign (resid   88 and  name o    )(resid  92 and  name n    ) 3.5 0.4 0.7
assign (resid   88 and  name o    )(resid  92 and  name hn   ) 2.5 0.4 0.7
assign (resid   89 and  name o    )(resid  93 and  name n    ) 3.5 0.4 0.7
assign (resid   89 and  name o    )(resid  93 and  name hn   ) 2.5 0.4 0.7
assign (resid   90 and  name o    )(resid  94 and  name nd2  ) 3.5 0.4 0.7

! salt bridge to 128 and 108
assign (resid 128 and name nz) (resid 108 and name oe*) 3.5 0.4 0.7

assign (resid 102 and name n) (resid 134 and name o) 3.5 0.4 0.9
assign (resid 102 and name hn) (resid 134 and name o) 2.5 0.4 0.9

assign (resid 102 and name o) (resid 134 and name n) 3.5 0.4 0.9
assign (resid 102 and name o) (resid 134 and name hn) 2.5 0.4 0.9

!non-regular hydrogen bonds
assign (resid 42 and name o) (resid 57 and name hh) 2.5 0.4 0.9

assign (resid 138 and name o) (resid 140 and name nd2) 3.5 0.4 0.9
assign (resid 138 and name n) (resid 135 and name o) 3.5 0.4 0.9

!cation binding site

assign (resid 57 and name oh) (resid 108 and name oe2)   6.00     4.20     0.30
assign (resid 57 and name oh) (resid 40 and name o)   6.00     4.20     0.30
assign (resid 57 and name oh) (resid 42 and name o)   6.00     4.20     0.30
assign (resid 57 and name oh) (resid 107 and name o)   6.00     4.20     0.30