NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1951 1b9r cing 1-original 3 XPLOR/CNS dihedral angle


!for fe2s2 loops modeled from ADX
     assign (resid 39 and name n)          (resid 39 and name ca)
             (resid 39 and name cb)        (resid 39 and name sg)
     1      92.000     20.0     2
      assign (resid 45 and name n)         (resid 45 and name ca)
             (resid 45 and name cb)        (resid 45 and name sg)
     1      76.000     20.0     2
      assign (resid 48 and name n)         (resid 48 and name ca)
             (resid 48 and name cb)        (resid 48 and name sg)
     1      64.000     20.0     2
      assign (resid 86 and name n)         (resid 86 and name ca)
             (resid 86 and name cb)        (resid 86 and name sg)
     1      67.000     20.0     2
      assign (resid 39 and name ca)        (resid 39 and name cb)
             (resid 39 and name sg)        (resid 106 and name fe1)
     1      -85.000    20.0     2
      assign (resid 45 and name ca)        (resid 45 and name cb)
             (resid 45 and name sg)        (resid 106 and name fe1)
     1      -48.000     20.0     2
      assign (resid 48 and name ca)        (resid 48 and name cb)
             (resid 48 and name sg)        (resid 106 and name fe2)
     1      -134.000     20.0     2
      assign (resid 86 and name ca)        (resid 86 and name cb)
             (resid 86 and name sg)        (resid 106 and name fe2)
     1      -116.000     20.0     2

       assign (resid 37 and name c)        (resid 38 and name n)
             (resid 38 and name ca)        (resid 38 and name c)
     1     -55.000     40.0     2
      assign (resid 38 and name n)         (resid 38 and name ca)
             (resid 38 and name c)         (resid 39 and name n)
     1     -41.000     40.0     2
       assign (resid 38 and name c)        (resid 39 and name n)
             (resid 39 and name ca)        (resid 39 and name c)
     1     -81.000     40.0     2
      assign (resid 39 and name n)         (resid 39 and name ca)
             (resid 39 and name c)         (resid 40 and name n)
     1     4.000     40.0     2
      assign (resid 39 and name c)         (resid 40 and name n)
             (resid 40 and name ca)        (resid 40 and name c)
     1     63.000     40.0     2
      assign (resid 40 and name n)         (resid 40 and name ca)
             (resid 40 and name c)         (resid 41 and name n)
     1     37.000     40.0     2
      assign (resid 40 and name c)         (resid 41 and name n)
             (resid 41 and name ca)        (resid 41 and name c)
     1     77.000     40.0     2
      assign (resid 41 and name n)         (resid 41 and name ca)
             (resid 41 and name c)         (resid 42 and name n)
     1     24.000     40.0     2
      assign (resid 41 and name c)         (resid 42 and name n)
             (resid 42 and name ca)        (resid 42 and name c)
     1     -99.000     40.0     2
      assign (resid 42 and name n)         (resid 42 and name ca)
             (resid 42 and name c)         (resid 43 and name n)
     1     12.000     40.0     2
      assign (resid 42 and name c)         (resid 43 and name n)
             (resid 43 and name ca)        (resid 43 and name c)
     1     61.000     40.0     2
      assign (resid 43 and name n)         (resid 43 and name ca)
             (resid 43 and name c)         (resid 44 and name n)
     1     40.000     40.0     2
      assign (resid 43 and name c)         (resid 44 and name n)
             (resid 44 and name ca)        (resid 44 and name c)
     1     -125.000     40.0     2
      assign (resid 44 and name n)         (resid 44 and name ca)
             (resid 44 and name c)         (resid 45 and name n)
     1     13.000     40.0     2
      assign (resid 44 and name c)         (resid 45 and name n)
             (resid 45 and name ca)        (resid 45 and name c)
     1     -151.000     40.0     2
      assign (resid 45 and name n)         (resid 45 and name ca)
             (resid 45 and name c)         (resid 46 and name n)
     1     -173.000     40.0     2
      assign (resid 45 and name c)         (resid 46 and name n)
             (resid 46 and name ca)        (resid 46 and name c)
     1     -136.000     40.0     2
      assign (resid 46 and name n)         (resid 46 and name ca)
             (resid 46 and name c)         (resid 47 and name n)
     1     28.000     40.0     2
      assign (resid 46 and name c)         (resid 47 and name n)
             (resid 47 and name ca)        (resid 47 and name c)
     1      -73.000     40.0     2
      assign (resid 47 and name n)         (resid 47 and name ca)
             (resid 47 and name c)         (resid 48 and name n)
     1      -14.000     40.0     2
      assign (resid 47 and name c)         (resid 48 and name n)
             (resid 48 and name ca)        (resid 48 and name c)
     1      -96.000     40.0     2
      assign (resid 48 and name n)         (resid 48 and name ca)
             (resid 48 and name c)         (resid 49 and name n)
     1      12.000     40.0     2
      assign (resid 48 and name c)         (resid 49 and name n)
             (resid 49 and name ca)        (resid 49 and name c)
     1      -52.000     40.0     2

     assign (resid 83 and name c)          (resid 84 and name n)
             (resid 84 and name ca)        (resid 84 and name c)
     1      -83.000     40.0     2
      assign (resid 84 and name n)         (resid 84 and name ca)
             (resid 84 and name c)         (resid 85 and name n)
     1      114.000     40.0     2
      assign (resid 84 and name c)         (resid 85 and name n)
             (resid 85 and name ca)        (resid 85 and name c)
     1      -52.000      40.0     2
      assign (resid 85 and name n)         (resid 85 and name ca)
             (resid 85 and name c)         (resid 86 and name n)
     1      -31.000     40.0     2
      assign (resid 85 and name c)         (resid 86 and name n)
             (resid 86 and name ca)        (resid 86 and name c)
     1      -74.000     40.0     2
      assign (resid 86 and name n)         (resid 86 and name ca)
             (resid 86 and name c)         (resid 87 and name n)
     1      -10.000     40.0     2
      assign (resid 86 and name c)         (resid 87 and name n)
             (resid 87 and name ca)        (resid 87 and name c)
     1     -99.000     40.0     2
      assign (resid 87 and name n)         (resid 87 and name ca)
             (resid 87 and name c)         (resid 88 and name n)
     1       -1.000     40.0     2


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

Contact the webmaster for help, if required. Wednesday, May 8, 2024 4:12:25 PM GMT (wattos1)