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
632057 6ba3 30352 cing 1-original 2 DYANA/DIANA dihedral angle


# Restraints file 3: sf26.aco
# REMARK  error margins are set to conservative default values of double the standard deviation 
#         observed in TALOS-N capped at a minimum of +/-20 degree.

# Phi/Psi Angles From 'Strong' Predictions 
   3   ARG  PHI     -82.8   -42.8
   3   ARG  PSI     -53.9   -13.9
   4   TRP  PHI     -84.7   -44.7
   4   TRP  PSI     -56.4   -16.4
   5   ASN  PHI     -87.6   -47.6
   5   ASN  PSI     -46.3    -6.3
   6   LEU  PHI    -109.4   -69.4
   6   LEU  PSI     -30.6    11.1
   8   TYR  PHI     -84.6   -44.6
   8   TYR  PSI     -55.1   -15.1
  10   ILE  PHI     -99.2   -49.0
  10   ILE  PSI     112.0   155.1
  12   HIS  PHI    -135.8   -54.5
  12   HIS  PSI     110.3   160.9
  13   LYS  PHI    -154.5   -48.4
  13   LYS  PSI     111.4   171.2
  14   GLN  PHI     -90.3   -50.3
  14   GLN  PSI     112.9   155.0
  15   VAL  PHI    -151.7  -104.2
  15   VAL  PSI     129.0   171.3
  16   LYS  PHI     -96.7   -49.6
  16   LYS  PSI     114.0   157.6
  17   LEU  PHI    -100.9   -60.9
  17   LEU  PSI     138.3   178.3
#  18   PRO  PHI     -76.6   -36.6
  18   PRO  PSI     -46.4    -6.4
  19   ASN  PHI    -106.5   -66.5
  19   ASN  PSI     -18.8    21.2
  20   GLY  PHI      70.1   110.1
  20   GLY  PSI     -23.4    16.6
  21   GLN  PHI    -103.5   -63.5
  21   GLN  PSI     127.1   167.1
  25   GLU  PHI     -89.9   -49.9
  25   GLU  PSI     122.3   162.3
#  26   PRO  PHI     -73.9   -33.9
  26   PRO  PSI     113.5   153.5
  27   GLY  PHI      74.2   114.2
  27   GLY  PSI     -32.1     7.9
  28   ASP  PHI     -95.3   -53.8
  28   ASP  PSI     113.2   169.5
  30   CYSS PHI    -170.1  -124.9
  30   CYSS PSI     132.7   175.7
  32   LYS  PHI    -160.7  -108.1
  32   LYS  PSI     126.6   174.6
  33   ARG  PHI     -78.4   -38.4
  33   ARG  PSI     -54.4   -14.4
  34   ASP  PHI     -90.2   -50.2
  34   ASP  PSI     -34.5     5.5
  35   GLU  PHI    -105.9   -65.9
  35   GLU  PSI     -31.0     9.0
  36   CYSS PHI     -89.5   -49.5
  36   CYSS PSI     117.2   161.4
  39   ALA  PHI     -91.8   -51.8
  39   ALA  PSI     134.1   175.3
  42   GLN  PHI    -101.1   -42.3
  42   GLN  PSI     -56.1     9.9
  43   LYS  PHI     -93.3   -53.3
  43   LYS  PSI     -44.0     5.6
  44   THR  PHI    -118.6   -57.3
  44   THR  PSI     -44.6    16.8
  45   TYR  PHI    -153.7   -84.2
  45   TYR  PSI     120.7   171.9
  46   SER  PHI    -157.2  -101.7
  46   SER  PSI     125.3   178.1
  47   SER  PHI    -166.7   -98.7
  47   SER  PSI     129.2   169.2
  48   GLY  PHI     145.6   206.1
  48   GLY  PSI    -202.1  -151.1
  49   CYSS PHI    -170.8   -59.9
  49   CYSS PSI     107.6   169.0
  50   ALA  PHI    -160.3  -105.1
  50   ALA  PSI     106.8   171.3
  51   GLN  PHI    -107.8   -59.2
  51   GLN  PSI     109.6   149.6
  52   THR  PHI    -149.7   -92.3
  52   THR  PSI     112.5   162.4
  53   TRP  PHI     -92.0   -50.5
  53   TRP  PSI     111.3   151.3
  54   SER  PHI    -129.6   -89.6
  54   SER  PSI      90.0   130.0
  55   ALA  PHI     -84.6   -44.6
  55   ALA  PSI     -49.7    -9.7
  56   MET  PHI     -90.0   -50.0
  56   MET  PSI     -60.4   -20.4
  57   GLU  PHI    -115.6   -69.9
  57   GLU  PSI     -32.4     7.6
  58   GLY  PHI      51.6    91.6
  58   GLY  PSI       7.3    47.3
  60   PHE  PHI     -96.8   -56.8
  60   PHE  PSI     119.9   159.9
  61   VAL  PHI    -148.9  -101.0
  61   VAL  PSI     114.3   169.0
  62   ARG  PHI    -100.6   -60.6
  62   ARG  PSI     112.0   152.0
  63   GLU  PHI    -156.3  -116.3
  63   GLU  PSI     123.1   169.5
  64   CYSS PHI    -102.4   -51.8
  64   CYSS PSI     117.6   157.6
  65   TYR  PHI    -153.8  -113.8
  65   TYR  PSI     133.9   173.9
  66   ILE  PHI    -137.0   -87.9
  66   ILE  PSI     109.3   149.3
  67   CYSS PHI    -162.4  -122.4
  67   CYSS PSI     125.1   180.5
  68   ALA  PHI     -89.0   -49.0
  68   ALA  PSI     111.4   166.4
  69   VAL  PHI     -81.2   -41.2
  69   VAL  PSI     -46.6    -6.6
  70   GLU  PHI     -99.0   -57.2
  70   GLU  PSI     -35.0    17.2
  72   SER  PHI     -96.8   -56.8
  72   SER  PSI     -37.0     3.0

# Phi/Psi Angles From 'Generous' Predictions 
   2   ASN  PHI     -92.5   -51.2
   2   ASN  PSI     126.7   178.0
  22   LEU  PHI     -92.7   -52.7
  22   LEU  PSI     117.6   157.6
  23   CYSS PHI    -161.2   -21.2
  23   CYSS PSI     116.5   171.4
  24   LYS  PHI    -155.7   -40.5
  24   LYS  PSI     122.4   173.1
  31   SER  PHI    -125.0   -59.0
  31   SER  PSI     -45.5    12.6
  38   LYS  PHI    -139.0   -45.9
  38   LYS  PSI     119.0   173.0
  40   ASP  PHI     -85.3   -45.3
  40   ASP  PSI     -48.0    -8.0

# Chi1 angles
  49   CYSS CHI1    160.0   200.0
  53   TRP  CHI1    160.0   200.0
  54   SER  CHI1    160.0   200.0
  69   VAL  CHI1    160.0   200.0
  44   THR  CHI1     40.0    80.0
  47   SER  CHI1     40.0    80.0
   5   ASN  CHI1    -80.0   -40.0
   6   LEU  CHI1    -80.0   -40.0
  10   ILE  CHI1    -80.0   -40.0
  12   HIS  CHI1    -80.0   -40.0
  17   LEU  CHI1    -80.0   -40.0
  21   GLN  CHI1    -80.0   -40.0
  22   LEU  CHI1    -80.0   -40.0
  23   CYSS CHI1    -80.0   -40.0
  30   CYSS CHI1    -80.0   -40.0
  32   LYS  CHI1    -80.0   -40.0 
  35   GLU  CHI1    -80.0   -40.0
  38   LYS  CHI1    -80.0   -40.0
  40   ASP  CHI1    -80.0   -40.0
  43   LYS  CHI1    -80.0   -40.0
  45   TYR  CHI1    -80.0   -40.0
  56   MET  CHI1    -80.0   -40.0
  57   GLU  CHI1    -80.0   -40.0
  60   PHE  CHI1    -80.0   -40.0
  66   ILE  CHI1    -80.0   -40.0














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