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
5008 1g91 cing recoord 1-original 2 XPLOR/CNS dihedral angle


!! Phi restraints: minimum deviation = 30 degrees

  !!!    3 
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -75.0 30.0 2
  !!!    4 
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -110.0 50.0 2
  !!!    5 
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 40.0 2
  !!!    7 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -120.0 40.0 2
  !!!    8 
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -75.0 30.0 2
  !!    9 
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -75.0 25.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)  (resid   10 and name c )  1.0 -150.0 25.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -90.0 20.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -90.0 20.0 2
  !!    13
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -105.0 20.0 2
  !!    14
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -155.0 20.0 2
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -100.0 20.0 2
  !!    16
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -65.0 20.0 2
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -175.0 20.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -75.0 20.0 2
  !!    20
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -90.0 20.0 2
  !!    22
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -50.0 20.0 2
  !!    23 
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -60.0 20.0 2
  !!    24 
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -90.0 20.0 2
  !!    25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -145.0 20.0 2
  !!    26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -110.0 20.0 2
  !!    27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -160.0 20.0 2
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -150.0 20.0 2
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -150.0 20.0 2
  !!    30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -90.0 20.0 2
  !!    31
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -80.0 20.0 2
  !!    32
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -60.0 20.0 2
  !!    33
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -60.0 30.0 2
  !!    34 
 assign (resid   33 and name c )   (resid   34 and name n ) 
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -65.0 30.0 2
  !!    35 
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -65.0 20.0 2
  !!    36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -60.0 20.0 2
  !!    37 
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -105.0 20.0 2
  !!    40 
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -105.0 20.0 2
  !!    41 
 assign (resid   40 and name c )   (resid   41 and name n ) 
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -110.0 20.0 2
  !!    42 
 assign (resid   41 and name c )   (resid   42 and name n ) 
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -105.0 20.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -110.0 20.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -85.0 20.0 2
  !!    45 
 assign (resid   44 and name c )   (resid   45 and name n ) 
        (resid   45 and name ca)   (resid   45 and name c )  1.0 -60.0 20.0 2
  !!    46 
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -100.0 30.0 2
  !!    48
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -140.0 30.0 2
  !!    49 
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -135.0 20.0 2
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )  1.0 -150.0 20.0 2
  !!    51 
 assign (resid   50 and name c )   (resid   51 and name n ) 
        (resid   51 and name ca)   (resid   51 and name c )  1.0 -90.0 20.0 2
  !!    52 
 assign (resid   51 and name c )   (resid   52 and name n ) 
        (resid   52 and name ca)   (resid   52 and name c )  1.0 -135.0 20.0 2
  !!    53 
 assign (resid   52 and name c )   (resid   53 and name n ) 
        (resid   53 and name ca)   (resid   53 and name c )  1.0 -75.0 20.0 2
  !!    55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -90.0 20.0 2
  !!    56 
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -80.0 20.0 2
  !!    57 
 assign (resid   56 and name c )   (resid   57 and name n ) 
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -45.0 20.0 2
  !!    58 
 assign (resid   57 and name c )   (resid   58 and name n ) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -75.0 20.0 2
  !!    59 
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -70.0 20.0 2
  !!    60 
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -60.0 20.0 2
  !!    61 
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -55.0 20.0 2
  !!    62 
 assign (resid   61 and name c )   (resid   62 and name n ) 
        (resid   62 and name ca)   (resid   62 and name c )  1.0 -65.0 20.0 2
  !!    63 
 assign (resid   62 and name c )   (resid   63 and name n ) 
        (resid   63 and name ca)   (resid   63 and name c )  1.0 -55.0 20.0 2
  !!    64 
 assign (resid   63 and name c )   (resid   64 and name n ) 
        (resid   64 and name ca)   (resid   64 and name c )  1.0 -65.0 20.0 2
  !!    65 
 assign (resid   64 and name c )   (resid   65 and name n ) 
        (resid   65 and name ca)   (resid   65 and name c )  1.0 -75.0 20.0 2
  !!    66 
 assign (resid   65 and name c )   (resid   66 and name n ) 
        (resid   66 and name ca)   (resid   66 and name c )  1.0 -55.0 20.0 2
  !!    67 
 assign (resid   66 and name c )   (resid   67 and name n ) 
        (resid   67 and name ca)   (resid   67 and name c )  1.0 -55.0 20.0 2
  !!    68 
 assign (resid   67 and name c )   (resid   68 and name n ) 
        (resid   68 and name ca)   (resid   68 and name c )  1.0 -75.0 20.0 2
  !!    69 
 assign (resid   68 and name c )   (resid   69 and name n ) 
        (resid   69 and name ca)   (resid   69 and name c )  1.0 -75.0 20.0 2

!!chi
  
  !!40
assign ( resid 40 and name n)   ( resid 40 and name ca) 
       ( resid 40 and name cb)  ( resid 40 and name cg1) 1.0 180.0 30.0 2

  !!61
assign ( resid 61 and name n)   ( resid 61 and name ca) 
       ( resid 61 and name cb)   ( resid 61 and name cg1) 1.0 180.0 30.0 2

  !!59
assign ( resid 59 and name n)   ( resid 59 and name ca) 
       ( resid 59 and name cb)   ( resid 59 and name cg1) 1.0 180.0 30.0 2

  !!16
assign ( resid 16 and name n)    ( resid 16 and name ca)
       ( resid 16 and name cb)   ( resid 16 and name og1) 1.0 180.0 30.0 2

  !!44
assign ( resid 44 and name n)    ( resid 44 and name ca)
       ( resid 44 and name cb)   ( resid 44 and name og1) 1.0 60.0 30.0 2

  !!31
assign ( resid 31 and name n)    ( resid 31 and name ca)
       ( resid 31 and name cb)   ( resid 31 and name og1) 1.0 60.0 30.0 2

  !!20
assign ( resid 20 and name n)    ( resid 20 and name ca)
       ( resid 20 and name cb)   ( resid 20 and name cg1) 1.0 -60.0 30.0 2

  !!41
assign ( resid 41 and name n)    ( resid 41 and name ca)
       ( resid 41 and name cb)   ( resid 41 and name cg1) 1.0 -60.0 30.0 2

  !!25
assign ( resid 25 and name n)    ( resid 25 and name ca)
       ( resid 25 and name cb)   ( resid 25 and name cg) 1.0 -60.0 30.0 2 

  !!66
assign ( resid 66 and name n)    ( resid 66 and name ca)
       ( resid 66 and name cb)   ( resid 66 and name cg) 1.0 -60.0 30.0 2 

  !!65
assign ( resid 65 and name n)    ( resid 65 and name ca)
       ( resid 65 and name cb)   ( resid 65 and name cg) 1.0 180.0 30.0 2 

  !!43
assign ( resid 43 and name n)    ( resid 43 and name ca)
       ( resid 43 and name cb)   ( resid 43 and name cg) 1.0 180.0 30.0 2 

  !!15
assign ( resid 15 and name n)    ( resid 15 and name ca)
       ( resid 15 and name cb)   ( resid 15 and name cg) 1.0 -60.0 30.0 2

 !!28
assign ( resid 28 and name n)    ( resid 28 and name ca)
       ( resid 28 and name cb)   ( resid 28 and name cg) 1.0 60.0 30.0 2

  !!29
assign ( resid 29 and name n)    ( resid 29 and name ca)
       ( resid 29 and name cb)   ( resid 29 and name cg) 1.0 60.0 30.0 2

  !!42
assign ( resid 42 and name n)    ( resid 42 and name ca)
       ( resid 42 and name cb)   ( resid 42 and name cg) 1.0 -60.0 30.0 2

  !!50
assign ( resid 50 and name n)    ( resid 50 and name ca)
       ( resid 50 and name cb)   ( resid 50 and name cg) 1.0 60.0 30.0 2

 !!11
assign ( resid 11 and name n)    ( resid 11 and name ca)
       ( resid 11 and name cb)   ( resid 11 and name sg) 1.0 -60.0 30.0 2

 !!12
assign ( resid 12 and name n)    ( resid 12 and name ca)
       ( resid 12 and name cb)   ( resid 12 and name sg) 1.0 -60.0 30.0 2

 !!35
assign ( resid 35 and name n)    ( resid 35 and name ca)
       ( resid 35 and name cb)   ( resid 35 and name sg) 1.0 -60.0 40.0 2

 !!51
assign ( resid 51 and name n)    ( resid 51 and name ca)
       ( resid 51 and name cb)   ( resid 51 and name sg) 1.0 -60.0 30.0 2

  !!30
assign ( resid 30 and name n)    ( resid 30 and name ca)
       ( resid 30 and name cb)   ( resid 30 and name cg) 1.0 -60.0 30.0 2

  !!34
assign ( resid 34 and name n)    ( resid 34 and name ca)
       ( resid 34 and name cb)   ( resid 34 and name cg) 1.0 -60.0 30.0 2

  !!37
assign ( resid 37 and name n)    ( resid 37 and name ca)
       ( resid 37 and name cb)   ( resid 37 and name cg) 1.0 -60.0 30.0 2

  !!18
assign ( resid 17 and name n)    ( resid 18 and name ca)
       ( resid 18 and name cb)   ( resid 18 and name cg) 1.0 -60.0 30.0 2

  !!45
assign ( resid 45 and name n)    ( resid 45 and name ca)
       ( resid 45 and name cb)   ( resid 45 and name cg) 1.0 180.0 30.0 2

  !!53
assign ( resid 53 and name n)    ( resid 53 and name ca)
       ( resid 53 and name cb)   ( resid 53 and name cg) 1.0 180.0 30.0 2

  !!56
assign ( resid 56 and name n)    ( resid 56 and name ca)
       ( resid 56 and name cb)   ( resid 56 and name cg) 1.0 180.0 30.0 2




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

Contact the webmaster for help, if required. Friday, July 5, 2024 4:08:27 AM GMT (wattos1)