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
464322 2kt6 16684 cing 1-original 1 XPLOR/CNS distance hydrogen bond simple


!
!Water peaks:
!2-8 14 15 17 18 28-32 41 42 46-47 57-61 69-78 84-87
!

class hbon

assign (resid 7 and name  HN)(resid  44 and name  O) 1.8 0.0 0.2 
assign (resid 7 and name   N)(resid  44 and name  O) 2.8 0.0 0.2 

assign (resid 8 and name  HN)(resid  75 and name  O) 1.8 0.0 0.2 
assign (resid 8 and name   N)(resid  75 and name  O) 2.8 0.0 0.2

assign (resid 9 and name  HN)(resid  42 and name  O) 1.8 0.0 0.2 
assign (resid 9 and name   N)(resid  42 and name  O) 2.8 0.0 0.2

assign (resid 10 and name  HN)(resid  77 and name  O) 1.8 0.0 0.2
assign (resid 10 and name   N)(resid  77 and name  O) 2.8 0.0 0.2

assign (resid 11 and name  HN)(resid  40 and name  O) 1.8 0.0 0.2
assign (resid 11 and name   N)(resid  40 and name  O) 2.8 0.0 0.2

assign (resid 12 and name  HN)(resid  79 and name  O) 1.8 0.0 0.2
assign (resid 12 and name   N)(resid  79 and name  O) 2.8 0.0 0.2

assign (resid 13 and name  HN)(resid  17 and name  O) 1.8 0.0 0.2
assign (resid 13 and name   N)(resid  17 and name  O) 2.8 0.0 0.2

assign (resid 16 and name  HN)(resid  13 and name  O) 1.8 0.0 0.2
assign (resid 16 and name   N)(resid  13 and name  O) 2.8 0.0 0.2

assign (resid 21 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 21 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 22 and name  HN)(resid  36 and name  O) 1.8 0.0 0.2
assign (resid 22 and name   N)(resid  36 and name  O) 2.8 0.0 0.2

assign (resid 23 and name  HN)(resid  20 and name  O) 1.8 0.0 0.2
assign (resid 23 and name   N)(resid  20 and name  O) 2.8 0.0 0.2

assign (resid 24 and name  HN)(resid  56 and name  O) 1.8 0.0 0.2
assign (resid 24 and name   N)(resid  56 and name  O) 2.8 0.0 0.2

assign (resid 25 and name  HN)(resid  34 and name  O) 1.8 0.0 0.2
assign (resid 25 and name   N)(resid  34 and name  O) 2.8 0.0 0.2

assign (resid 26 and name  HN)(resid  54 and name  O) 1.8 0.0 0.2
assign (resid 26 and name   N)(resid  54 and name  O) 2.8 0.0 0.2

assign (resid 27 and name  HN)(resid  31 and name  O) 1.8 0.0 0.2
assign (resid 27 and name   N)(resid  31 and name  O) 2.8 0.0 0.2

assign (resid 30 and name  HN)(resid  27 and name  O) 1.8 0.0 0.2
assign (resid 30 and name   N)(resid  27 and name  O) 2.8 0.0 0.2

assign (resid 33 and name  HN)(resid  25 and name  O) 1.8 0.0 0.2
assign (resid 33 and name   N)(resid  25 and name  O) 2.8 0.0 0.2

assign (resid 34 and name  HN)(resid  25 and name  O) 1.8 0.0 0.2
assign (resid 34 and name   N)(resid  25 and name  O) 2.8 0.0 0.2

assign (resid 35 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 35 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 36 and name  HN)(resid  23 and name  O) 1.8 0.0 0.2
assign (resid 36 and name   N)(resid  23 and name  O) 2.8 0.0 0.2

assign (resid 37 and name  HN)(resid  41 and name  O) 1.8 0.0 0.2
assign (resid 37 and name   N)(resid  41 and name  O) 2.8 0.0 0.2

assign (resid 38 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 38 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 39 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 39 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

!assign (resid 40 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
!assign (resid 40 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

!assign (resid 41 and name  HN)(resid  38 and name  O) 1.8 0.0 0.2 
!assign (resid 41 and name   N)(resid  38 and name  O) 2.8 0.0 0.2 

assign (resid 42 and name  HN)(resid  9 and name  O) 1.8 0.0 0.2 
assign (resid 42 and name   N)(resid  9 and name  O) 2.8 0.0 0.2 

assign (resid 43 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 43 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 44 and name  HN)(resid  7 and name  O) 1.8 0.0 0.2
assign (resid 44 and name   N)(resid  7 and name  O) 2.8 0.0 0.2

assign (resid 45 and name  HN)(resid  33 and name  O) 1.8 0.0 0.2 
assign (resid 45 and name   N)(resid  33 and name  O) 2.8 0.0 0.2 

assign (resid 46 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2 
assign (resid 46 and name   N)(resid  0 and name  O) 2.8 0.0 0.2 

assign (resid 48 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 48 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 50 and name  HN)(resid  67 and name  O) 1.8 0.0 0.2
assign (resid 50 and name   N)(resid  67 and name  O) 2.8 0.0 0.2

assign (resid 51 and name  HN)(resid  67 and name  O) 1.8 0.0 0.2
assign (resid 51 and name   N)(resid  67 and name  O) 2.8 0.0 0.2

assign (resid 52 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 52 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 53 and name  HN)(resid  65 and name  O) 1.8 0.0 0.2
assign (resid 53 and name   N)(resid  65 and name  O) 2.8 0.0 0.2

assign (resid 54 and name  HN)(resid  26 and name  O) 1.8 0.0 0.2
assign (resid 54 and name   N)(resid  26 and name  O) 2.8 0.0 0.2

assign (resid 55 and name  HN)(resid  63 and name  O) 1.8 0.0 0.2
assign (resid 55 and name   N)(resid  63 and name  O) 2.8 0.0 0.2

assign (resid 56 and name  HN)(resid  24 and name  O) 1.8 0.0 0.2
assign (resid 56 and name   N)(resid  24 and name  O) 2.8 0.0 0.2

assign (resid 57 and name  HN)(resid  60 and name  O) 1.8 0.0 0.2
assign (resid 57 and name   N)(resid  60 and name  O) 2.8 0.0 0.2

assign (resid 62 and name  HN)(resid  55 and name  O) 1.8 0.0 0.2
assign (resid 62 and name   N)(resid  55 and name  O) 2.8 0.0 0.2

assign (resid 63 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
assign (resid 63 and name   N)(resid  0 and name  O) 2.8 0.0 0.2

assign (resid 64 and name  HN)(resid  82 and name  O) 1.8 0.0 0.2
assign (resid 64 and name   N)(resid  82 and name  O) 2.8 0.0 0.2

assign (resid 65 and name  HN)(resid  53 and name  O) 1.8 0.0 0.2
assign (resid 65 and name   N)(resid  53 and name  O) 2.8 0.0 0.2

assign (resid 66 and name  HN)(resid  80 and name  O) 1.8 0.0 0.2
assign (resid 66 and name   N)(resid  80 and name  O) 2.8 0.0 0.2

assign (resid 67 and name  HN)(resid  51 and name  O) 1.8 0.0 0.2
assign (resid 67 and name   N)(resid  51 and name  O) 2.8 0.0 0.2

assign (resid 74 and name  HN)(resid  6 and name  O) 1.8 0.0 0.2 
assign (resid 74 and name   N)(resid  6 and name  O) 2.8 0.0 0.2

assign (resid 77 and name  HN)(resid  8 and name  O) 1.8 0.0 0.2 
assign (resid 77 and name   N)(resid  8 and name  O) 2.8 0.0 0.2

assign (resid 79 and name  HN)(resid  10 and name  O) 1.8 0.0 0.2
assign (resid 79 and name   N)(resid  10 and name  O) 2.8 0.0 0.2

assign (resid 81 and name  HN)(resid  12 and name  O) 1.8 0.0 0.2
assign (resid 81 and name   N)(resid  12 and name  O) 2.8 0.0 0.2

assign (resid 82 and name  HN)(resid  64 and name  O) 1.8 0.0 0.2
assign (resid 82 and name   N)(resid  64 and name  O) 2.8 0.0 0.2





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

Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:50:10 PM GMT (wattos1)