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
636693 6cuc 27433 cing 1-original 1 DYANA/DIANA dihedral angle


# Restraints file 1: dktx.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   CYSS PHI    -172.0   -95.3
   3   CYSS PSI     133.4   173.4
   4   ALA  PHI    -165.1   -56.4
   4   ALA  PSI      97.2   161.1
   5   LYS  PHI     -98.1   -58.1
   5   LYS  PSI     125.0   175.4
   6   GLU  PHI     -78.1   -38.1
   6   GLU  PSI     113.1   153.1
   7   GLY  PHI      70.1   110.1
   7   GLY  PSI     -28.1    11.9
   8   GLU  PHI     -94.2   -54.2
   8   GLU  PSI     121.0   161.0
   9   VAL  PHI    -134.4   -62.0
   9   VAL  PSI     107.2   152.0
  10   CYSS PHI    -188.0   -92.1
  10   CYSS PSI     137.5   180.2
  11   SER  PHI    -149.4   -27.1
  11   SER  PSI     121.5   194.3
  12   TRP  PHI     -83.6   -43.6
  12   TRP  PSI     -41.3    -1.3
  14   LYS  PHI    -103.7   -53.2
  14   LYS  PSI     106.6   159.0
  15   LYS  PHI    -107.5   -53.6
  15   LYS  PSI     115.1   170.7
  17   CYSS PHI    -101.3   -52.2
  17   CYSS PSI     -49.0    12.1
  19   LEU  PHI     -86.7   -46.7
  19   LEU  PSI     -45.4    -5.4
  20   ASP  PHI    -104.0   -53.9
  20   ASP  PSI     -38.9     1.6
  22   PHE  PHI    -155.6   -94.7
  22   PHE  PSI     127.4   170.8
  23   TYR  PHI    -170.8  -103.4
  23   TYR  PSI     129.0   176.0
  24   CYSS PHI    -154.4   -63.8
  24   CYSS PSI      80.3   167.6
  25   PRO  PSI     129.7   171.6
  26   MET  PHI    -112.2   -47.6
  26   MET  PSI      82.7   163.0
  27   GLU  PHI    -163.3  -117.5
  27   GLU  PSI     130.6   181.2
  29   ILE  PHI    -123.8   -43.5
  29   ILE  PSI     104.0   168.5
  31   HIS  PHI    -166.4  -102.6
  31   HIS  PSI     132.8   177.8
  33   LYS  PHI    -153.4  -113.4
  33   LYS  PSI     130.9   170.9
  34   LYS  PHI     -87.7   -47.7
  34   LYS  PSI     120.3   160.3
  35   TYR  PHI     -87.4   -47.4
  35   TYR  PSI     118.0   158.0
  36   LYS  PHI    -137.7   -38.0
  36   LYS  PSI     102.5   173.5
  37   PRO  PSI     125.5   165.5
  38   TYR  PHI    -103.3   -41.0
  38   TYR  PSI     102.9   154.6
  39   VAL  PHI    -134.9   -70.2
  39   VAL  PSI     105.0   168.2
  40   PRO  PSI     122.8   162.8
  41   VAL  PHI    -102.7   -49.5
  41   VAL  PSI     120.0   163.0
  42   THR  PHI    -122.9   -37.0
  42   THR  PSI     122.4   162.4
  44   SER  PHI     -89.1   -49.1
  44   SER  PSI     126.2   166.2
  45   PHE  PHI    -101.3   -51.7
  45   PHE  PSI     111.6   162.4
  47   CYSS PHI    -179.8   -61.8
  47   CYSS PSI     112.4   177.3
  48   ALA  PHI    -139.8   -35.9
  48   ALA  PSI     110.5   166.3
  49   LYS  PHI    -134.4   -56.9
  49   LYS  PSI     124.5   176.1
  50   GLU  PHI     -78.4   -38.4
  50   GLU  PSI     110.5   150.5
  51   GLY  PHI      69.9   109.9
  51   GLY  PSI     -29.5    10.5
  52   GLU  PHI    -105.7   -55.9
  52   GLU  PSI     121.7   162.8
  54   CYSS PHI    -171.2  -116.1
  54   CYSS PSI     136.5   180.0
  57   GLY  PHI      63.6   103.6
  57   GLY  PSI     -22.4    32.6
  58   SER  PHI    -116.7   -57.1
  58   SER  PSI     116.8   172.1
  59   LYS  PHI    -124.0   -64.2
  59   LYS  PSI     106.9   157.4
  60   CYSS PHI     -89.8   -49.8
  60   CYSS PSI     123.5   163.5
  62   HIS  PHI     -79.5   -39.5
  62   HIS  PSI     112.5   152.5
  63   GLY  PHI      69.2   109.2
  63   GLY  PSI     -22.3    17.7
  64   LEU  PHI    -141.5   -87.0
  64   LEU  PSI     116.0   160.4
  65   ASP  PHI    -161.8   -88.9
  65   ASP  PSI     106.3   171.8
  66   CYSS PHI    -151.8   -65.6
  66   CYSS PSI      70.8   186.7
  68   LEU  PHI     -98.9   -47.3
  68   LEU  PSI      95.6   162.4
  69   ALA  PHI    -175.2   -51.4
  69   ALA  PSI     117.8   185.0
  70   PHE  PHI     -99.3   -46.4
  70   PHE  PSI     -66.0   -10.2
  71   ILE  PHI    -150.3   -43.1
  71   ILE  PSI      85.2   187.4
  72   PRO  PSI     125.4   169.4
  73   TYR  PHI    -167.9   -97.3
  73   TYR  PSI     130.7   175.0
  75   GLU  PHI    -161.6  -118.4
  75   GLU  PSI     130.9   175.4
  76   LYS  PHI     -89.9   -49.3
  76   LYS  PSI     119.0   159.0
  77   TYR  PHI     -89.8   -48.2
  77   TYR  PSI     117.4   157.4

# Phi/Psi Angles From 'Generous' Predictions 
  13   GLY  PHI    -109.0   -69.0
  13   GLY  PSI     -23.9    16.4
  53   VAL  PHI    -114.3   -55.6
  53   VAL  PSI     113.7   153.7
  61   CYSS PHI     -89.6   -49.6
  61   CYSS PSI     127.1   171.3
  67   PRO  PSI     126.2   166.3


# Chi1 Angles TALOS-N Predictions: 

   9   VAL   CHI1   -189.3  -168.1
  10   CYSS  CHI1     45.2    86.0
  11   SER   CHI1     49.4    93.4
  20   ASP   CHI1    -78.0   -49.6
  22   PHE   CHI1    -95.0   -43.4
  23   TYR   CHI1     48.9    80.1
  28   PHE   CHI1    -78.8   -59.2
  29   ILE   CHI1    -73.8   -41.4
  31   HIS   CHI1    -78.8   -42.4
  32   CYSS  CHI1    -77.9   -42.7
  35   TYR   CHI1    -85.0   -49.8
  36   LYS   CHI1    -84.4   -44.4
  39   VAL   CHI1   -187.4  -167.8
  41   VAL   CHI1   -192.8  -165.2
  45   PHE   CHI1    -82.2   -53.8
  53   VAL   CHI1    165.6   194.4
  54   CYSS  CHI1   -121.6   -13.6
  56   TRP   CHI1    -96.7   -27.1
  60   CYSS  CHI1    -74.4   -57.6
  61   CYSS  CHI1    -67.7   -40.1
  64   LEU   CHI1   -110.0   -32.4
  65   ASP   CHI1   -191.3  -156.5
  68   LEU   CHI1    -85.6   -44.0
  70   PHE   CHI1    -89.5   -42.7
  71   ILE   CHI1    -78.7   -43.5
  73   TYR   CHI1    -82.5   -44.9
  74   CYSS  CHI1    -75.4   -43.4


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