NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
2670 1cey 2950 cing recoord 1-original 3 XPLOR/CNS dihedral angle


! angle constraints for phi
!
assign  (resid    3 and name c)  (resid    4 and name n )
        (resid    4 and name ca) (resid    4 and name c ) 10.0 -60.0 30.0 2
assign  (resid    5 and name c)  (resid    6 and name n )
        (resid    6 and name ca) (resid    6 and name c ) 10.0 -60.0 30.0 2
assign  (resid    7 and name c)  (resid    8 and name n )
        (resid    8 and name ca) (resid    8 and name c ) 10.0 -120.0 30.0 2
assign  (resid    8 and name c)  (resid    9 and name n )
        (resid    9 and name ca) (resid    9 and name c ) 10.0 -120.0 30.0 2
assign  (resid    9 and name c)  (resid   10 and name n )
        (resid   10 and name ca) (resid   10 and name c ) 10.0 -120.0 30.0 2
assign  (resid   10 and name c)  (resid   11 and name n )
        (resid   11 and name ca) (resid   11 and name c ) 10.0 -120.0 30.0 2
assign  (resid   17 and name c)  (resid   18 and name n )
        (resid   18 and name ca) (resid   18 and name c ) 10.0 -60.0 30.0 2
assign  (resid   18 and name c)  (resid   19 and name n )
        (resid   19 and name ca) (resid   19 and name c ) 10.0 -60.0 30.0 2
assign  (resid   19 and name c)  (resid   20 and name n )
        (resid   20 and name ca) (resid   20 and name c ) 10.0 -60.0 30.0 2
assign  (resid   20 and name c)  (resid   21 and name n )
        (resid   21 and name ca) (resid   21 and name c ) 10.0 -60.0 30.0 2
assign  (resid   21 and name c)  (resid   22 and name n )
        (resid   22 and name ca) (resid   22 and name c ) 10.0 -60.0 30.0 2
assign  (resid   23 and name c)  (resid   24 and name n )
        (resid   24 and name ca) (resid   24 and name c ) 10.0 -60.0 30.0 2
assign  (resid   25 and name c)  (resid   26 and name n )
        (resid   26 and name ca) (resid   26 and name c ) 10.0 -60.0 30.0 2
assign  (resid   26 and name c)  (resid   27 and name n )
        (resid   27 and name ca) (resid   27 and name c ) 10.0 -60.0 30.0 2
assign  (resid   29 and name c)  (resid   30 and name n )
        (resid   30 and name ca) (resid   30 and name c ) 10.0 -120.0 30.0 2
assign  (resid   30 and name c)  (resid   31 and name n )
        (resid   31 and name ca) (resid   31 and name c ) 10.0 -120.0 30.0 2
assign  (resid   32 and name c)  (resid   33 and name n )
        (resid   33 and name ca) (resid   33 and name c ) 10.0 -120.0 30.0 2
assign  (resid   33 and name c)  (resid   34 and name n )
        (resid   34 and name ca) (resid   34 and name c ) 10.0 -120.0 30.0 2
assign  (resid   34 and name c)  (resid   35 and name n )
        (resid   35 and name ca) (resid   35 and name c ) 10.0 -120.0 30.0 2
assign  (resid   35 and name c)  (resid   36 and name n )
        (resid   36 and name ca) (resid   36 and name c ) 10.0 -120.0 30.0 2
assign  (resid   39 and name c)  (resid   40 and name n ) 
        (resid   40 and name ca) (resid   40 and name c ) 10.0 -60.0 30.0 2
assign  (resid   40 and name c)  (resid   41 and name n )
        (resid   41 and name ca) (resid   41 and name c ) 10.0 -60.0 30.0 2
assign  (resid   41 and name c)  (resid   42 and name n )
        (resid   42 and name ca) (resid   42 and name c ) 10.0 -60.0 30.0 2
assign  (resid   42 and name c)  (resid   43 and name n )
        (resid   43 and name ca) (resid   43 and name c ) 10.0 -60.0 30.0 2
assign  (resid   44 and name c)  (resid   45 and name n )
        (resid   45 and name ca) (resid   45 and name c ) 10.0 -60.0 30.0 2
assign  (resid   45 and name c)  (resid   46 and name n )
        (resid   46 and name ca) (resid   46 and name c ) 10.0 -60.0 30.0 2
assign  (resid   47 and name c)  (resid   48 and name n )
        (resid   48 and name ca) (resid   48 and name c ) 10.0 -60.0 30.0 2
assign  (resid   53 and name c)  (resid   54 and name n ) 
        (resid   54 and name ca) (resid   54 and name c ) 10.0 -120.0 30.0 2
assign  (resid   54 and name c)  (resid   55 and name n )
        (resid   55 and name ca) (resid   55 and name c ) 10.0 -120.0 30.0 2
assign  (resid   65 and name c)  (resid   66 and name n )
        (resid   66 and name ca) (resid   66 and name c ) 10.0 -60.0 30.0 2
assign  (resid   66 and name c)  (resid   67 and name n )
        (resid   67 and name ca) (resid   67 and name c ) 10.0 -60.0 30.0 2
assign  (resid   67 and name c)  (resid   68 and name n )
        (resid   68 and name ca) (resid   68 and name c ) 10.0 -60.0 30.0 2
assign  (resid   68 and name c)  (resid   69 and name n )
        (resid   69 and name ca) (resid   69 and name c ) 10.0 -60.0 30.0 2
assign  (resid   69 and name c)  (resid   70 and name n )
        (resid   70 and name ca) (resid   70 and name c ) 10.0 -60.0 30.0 2
assign  (resid   70 and name c)  (resid   71 and name n )
        (resid   71 and name ca) (resid   71 and name c ) 10.0 -60.0 30.0 2
assign  (resid   72 and name c)  (resid   73 and name n )
        (resid   73 and name ca) (resid   73 and name c ) 10.0 -60.0 30.0 2
assign  (resid   77 and name c)  (resid   78 and name n )
        (resid   78 and name ca) (resid   78 and name c ) 10.0 -120.0 30.0 2
assign  (resid   79 and name c)  (resid   80 and name n )
        (resid   80 and name ca) (resid   80 and name c ) 10.0 -120.0 30.0 2
assign  (resid   82 and name c)  (resid   83 and name n )
        (resid   83 and name ca) (resid   83 and name c ) 10.0 -120.0 30.0 2
assign  (resid   83 and name c)  (resid   84 and name n )
        (resid   84 and name ca) (resid   84 and name c ) 10.0 -120.0 30.0 2
assign  (resid   85 and name c)  (resid   86 and name n )
        (resid   86 and name ca) (resid   86 and name c ) 10.0 -120.0 30.0 2
assign  (resid   86 and name c)  (resid   87 and name n )
        (resid   87 and name ca) (resid   87 and name c ) 10.0 -120.0 30.0 2
assign  (resid   92 and name c)  (resid   93 and name n )
        (resid   93 and name ca) (resid   93 and name c ) 10.0 -60.0 30.0 2
assign  (resid   93 and name c)  (resid   94 and name n )
        (resid   94 and name ca) (resid   94 and name c ) 10.0 -60.0 30.0 2
assign  (resid   94 and name c)  (resid   95 and name n )
        (resid   95 and name ca) (resid   95 and name c ) 10.0 -60.0 30.0 2
assign  (resid   95 and name c)  (resid   96 and name n )
        (resid   96 and name ca) (resid   96 and name c ) 10.0 -60.0 30.0 2
assign  (resid   96 and name c)  (resid   97 and name n )
        (resid   97 and name ca) (resid   97 and name c ) 10.0 -60.0 30.0 2
assign  (resid   97 and name c)  (resid   98 and name n )
        (resid   98 and name ca) (resid   98 and name c ) 10.0 -60.0 30.0 2
assign  (resid   98 and name c)  (resid   99 and name n )
        (resid   99 and name ca) (resid   99 and name c ) 10.0 -60.0 30.0 2
assign  (resid   99 and name c)  (resid  100 and name n )
        (resid  100 and name ca) (resid  100 and name c ) 10.0 -60.0 30.0 2
assign  (resid  102 and name c)  (resid  103 and name n )
        (resid  103 and name ca) (resid  103 and name c ) 10.0 -60.0 30.0 2
assign  (resid  103 and name c)  (resid  104 and name n )
        (resid  104 and name ca) (resid  104 and name c ) 10.0 -60.0 30.0 2
assign  (resid  106 and name c)  (resid  107 and name n )
        (resid  107 and name ca) (resid  107 and name c ) 10.0 -120.0 30.0 2
assign  (resid  110 and name c)  (resid  111 and name n )
        (resid  111 and name ca) (resid  111 and name c ) 10.0 -120.0 30.0 2
assign  (resid  111 and name c)  (resid  112 and name n )
        (resid  112 and name ca) (resid  112 and name c ) 10.0 -120.0 30.0 2
assign  (resid  112 and name c)  (resid  113 and name n )
        (resid  113 and name ca) (resid  113 and name c ) 10.0 -60.0 30.0 2
assign  (resid  113 and name c)  (resid  114 and name n )
        (resid  114 and name ca) (resid  114 and name c ) 10.0 -60.0 30.0 2
assign  (resid  114 and name c)  (resid  115 and name n )
        (resid  115 and name ca) (resid  115 and name c ) 10.0 -60.0 30.0 2
assign  (resid  115 and name c)  (resid  116 and name n )
        (resid  116 and name ca) (resid  116 and name c ) 10.0 -60.0 30.0 2
assign  (resid  116 and name c)  (resid  117 and name n )
        (resid  117 and name ca) (resid  117 and name c ) 10.0 -60.0 30.0 2
assign  (resid  117 and name c)  (resid  118 and name n )
        (resid  118 and name ca) (resid  118 and name c ) 10.0 -60.0 30.0 2
assign  (resid  118 and name c)  (resid  119 and name n )
        (resid  119 and name ca) (resid  119 and name c ) 10.0 -60.0 30.0 2
assign  (resid  119 and name c)  (resid  120 and name n )
        (resid  120 and name ca) (resid  120 and name c ) 10.0 -60.0 30.0 2
assign  (resid  120 and name c)  (resid  121 and name n )
        (resid  121 and name ca) (resid  121 and name c ) 10.0 -60.0 30.0 2
assign  (resid  121 and name c)  (resid  122 and name n )
        (resid  122 and name ca) (resid  122 and name c ) 10.0 -60.0 30.0 2
assign  (resid  122 and name c)  (resid  123 and name n )
        (resid  123 and name ca) (resid  123 and name c ) 10.0 -60.0 30.0 2
assign  (resid  123 and name c)  (resid  124 and name n )
        (resid  124 and name ca) (resid  124 and name c ) 10.0 -60.0 30.0 2
assign  (resid  128 and name c)  (resid  129 and name n )
        (resid  129 and name ca) (resid  129 and name c ) 10.0 -120.0 30.0 2
!
! angle constraints for psi
!
assign  (resid   18 and name n)  (resid   18 and name ca )
        (resid   18 and name c) (resid   19 and name n ) 10.0 -50.0 60.0 2
assign  (resid   19 and name n)  (resid   19 and name ca )
        (resid   19 and name c) (resid    20 and name n ) 10.0 -50.0 60.0 2
assign  (resid   20 and name n)  (resid   20 and name ca )
        (resid   20 and name c) (resid   21 and name n ) 10.0 -50.0 60.0 2
assign  (resid   21 and name n)  (resid   21 and name ca )
        (resid   21 and name c) (resid   22 and name n ) 10.0 -50.0 60.0 2
assign  (resid   22 and name n)  (resid   22 and name ca )
        (resid   22 and name c) (resid   23 and name n ) 10.0 -50.0 60.0 2
assign  (resid   24 and name n)  (resid   24 and name ca )
        (resid   24 and name c) (resid   25 and name n ) 10.0 -50.0 60.0 2
assign  (resid   26 and name n)  (resid   26 and name ca )
        (resid   26 and name c) (resid   27 and name n ) 10.0 -50.0 60.0 2
assign  (resid   27 and name n)  (resid   27 and name ca )
        (resid   27 and name c) (resid   28 and name n ) 10.0 -50.0 60.0 2
assign  (resid   40 and name n)  (resid   40 and name ca ) 
        (resid   40 and name c) (resid   41 and name n ) 10.0 -50.0 60.0 2
assign  (resid   41 and name n)  (resid   41 and name ca )
        (resid   41 and name c) (resid   42 and name n ) 10.0 -50.0 60.0 2
assign  (resid   42 and name n)  (resid   42 and name ca )
        (resid   42 and name c) (resid   43 and name n ) 10.0 -50.0 60.0 2
assign  (resid   43 and name n)  (resid   43 and name ca )
        (resid   43 and name c) (resid   44 and name n ) 10.0 -50.0 60.0 2
assign  (resid   45 and name n)  (resid   45 and name ca )
        (resid   45 and name c) (resid   46 and name n ) 10.0 -50.0 60.0 2
assign  (resid   46 and name n)  (resid   46 and name ca )
        (resid   46 and name c) (resid   47 and name n ) 10.0 -50.0 60.0 2
assign  (resid   48 and name n)  (resid   48 and name ca )
        (resid   48 and name c) (resid   49 and name n ) 10.0 -50.0 60.0 2
assign  (resid   66 and name n)  (resid   66 and name ca )
        (resid   66 and name c) (resid   67 and name n ) 10.0 -50.0 60.0 2
assign  (resid   67 and name n)  (resid   67 and name ca )
        (resid   67 and name c) (resid   68 and name n ) 10.0 -50.0 60.0 2
assign  (resid   68 and name n)  (resid   68 and name ca )
        (resid   68 and name c) (resid   69 and name n ) 10.0 -50.0 60.0 2
assign  (resid   69 and name n)  (resid   69 and name ca )
        (resid   69 and name c) (resid   70 and name n ) 10.0 -50.0 60.0 2
assign  (resid   70 and name n)  (resid   70 and name ca )
        (resid   70 and name c) (resid   71 and name n ) 10.0 -50.0 60.0 2
assign  (resid   71 and name n)  (resid   71 and name ca )
        (resid   71 and name c) (resid   72 and name n ) 10.0 -50.0 60.0 2
assign  (resid   73 and name n)  (resid   73 and name ca )
        (resid   73 and name c) (resid   74 and name n ) 10.0 -50.0 60.0 2
assign  (resid   93 and name n)  (resid   93 and name ca )
        (resid   93 and name c) (resid   94 and name n ) 10.0 -50.0 60.0 2
assign  (resid   94 and name n)  (resid   94 and name ca )
        (resid   94 and name c) (resid   95 and name n ) 10.0 -50.0 60.0 2
assign  (resid   95 and name n)  (resid   95 and name ca )
        (resid   95 and name c) (resid   96 and name n ) 10.0 -50.0 60.0 2
assign  (resid   96 and name n)  (resid   96 and name ca )
        (resid   96 and name c) (resid   97 and name n ) 10.0 -50.0 60.0 2
assign  (resid   97 and name n)  (resid   97 and name ca )
        (resid   97 and name c) (resid   98 and name n ) 10.0 -50.0 60.0 2
assign  (resid   98 and name n)  (resid   98 and name ca )
        (resid   98 and name c) (resid   99 and name n ) 10.0 -50.0 60.0 2
assign  (resid   99 and name n)  (resid   99 and name ca )
        (resid   99 and name c) (resid  100 and name n ) 10.0 -50.0 60.0 2
assign  (resid  100 and name n)  (resid  100 and name ca )
        (resid  100 and name c) (resid  101 and name n ) 10.0 -50.0 60.0 2
assign  (resid  103 and name n)  (resid  103 and name ca )
        (resid  103 and name c) (resid  104 and name n ) 10.0 -50.0 60.0 2
assign  (resid  104 and name n)  (resid  104 and name ca )
        (resid  104 and name c) (resid  105 and name n ) 10.0 -50.0 60.0 2
assign  (resid  113 and name n)  (resid  113 and name ca )
        (resid  113 and name c) (resid  114 and name n ) 10.0 -50.0 60.0 2
assign  (resid  114 and name n)  (resid  114 and name ca )
        (resid  114 and name c) (resid  115 and name n ) 10.0 -50.0 60.0 2
assign  (resid  115 and name n)  (resid  115 and name ca )
        (resid  115 and name c) (resid  116 and name n ) 10.0 -50.0 60.0 2
assign  (resid  116 and name n)  (resid  116 and name ca )
        (resid  116 and name c) (resid  117 and name n ) 10.0 -50.0 60.0 2
assign  (resid  117 and name n)  (resid  117 and name ca )
        (resid  117 and name c) (resid  118 and name n ) 10.0 -50.0 60.0 2
assign  (resid  118 and name n)  (resid  118 and name ca )
        (resid  118 and name c) (resid  119 and name n ) 10.0 -50.0 60.0 2
assign  (resid  119 and name n)  (resid  119 and name ca )
        (resid  119 and name c) (resid  120 and name n ) 10.0 -50.0 60.0 2
assign  (resid  120 and name n)  (resid  120 and name ca )
        (resid  120 and name c) (resid  121 and name n ) 10.0 -50.0 60.0 2
assign  (resid  121 and name n)  (resid  121 and name ca )
        (resid  121 and name c) (resid  122 and name n ) 10.0 -50.0 60.0 2
assign  (resid  122 and name n)  (resid  122 and name ca )
        (resid  122 and name c) (resid  123 and name n ) 10.0 -50.0 60.0 2
assign  (resid  123 and name n)  (resid  123 and name ca )
        (resid  123 and name c) (resid  124 and name n ) 10.0 -50.0 60.0 2
assign  (resid  124 and name n)  (resid  124 and name ca )
        (resid  124 and name c) (resid  125 and name n ) 10.0 -50.0 60.0 2
!





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

Contact the webmaster for help, if required. Sunday, May 5, 2024 4:07:45 PM GMT (wattos1)