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
628931 5w8y 30309 cing 1-original 5 DYANA/DIANA dihedral angle


# Restraints file 5: xph1.aco

#    2 N -110.377  162.945   25.373    9.812    0.338 0.829 25 13 Strong
   2   ASN  PHI    -161.1   -59.6
   2   ASN  PSI     142.9   182.9

#    3 A  -59.684  -36.154    3.806    2.856    0.172 0.883 25 18 Strong
   3   ALA  PHI     -79.7   -39.7
   3   ALA  PSI     -56.2   -16.2

#    4 I  -64.232  -43.663    3.779    4.176    0.108 0.918 25 18 Strong
   4   ILE  PHI     -84.2   -44.2
   4   ILE  PSI     -63.7   -23.7

#    5 D  -62.623  -42.190    3.895    3.802    0.081 0.928 25 18 Strong
   5   ASP  PHI     -82.6   -42.6
   5   ASP  PSI     -62.2   -22.2

#    6 I  -66.669  -39.553    3.600    4.155    0.056 0.918 25 18 Strong
   6   ILE  PHI     -86.7   -46.7
   6   ILE  PSI     -59.6   -19.6

#    7 A  -65.126  -41.885    2.786    4.061    0.050 0.910 25 18 Strong
   7   ALA  PHI     -85.1   -45.1
   7   ALA  PSI     -61.9   -21.9

#    8 I  -62.825  -43.089    3.398    3.027    0.062 0.905 25 18 Strong
   8   ILE  PHI     -82.8   -42.8
   8   ILE  PSI     -63.1   -23.1

#    9 N  -65.428  -40.651    3.187    4.499    0.060 0.885 25 18 Strong
   9   ASN  PHI     -85.4   -45.4
   9   ASN  PSI     -60.7   -20.7

#   10 K  -67.869  -29.417    4.368    7.701    0.076 0.807 25 18 Strong
  10   LYS  PHI     -87.9   -47.9
  10   LYS  PSI     -49.4    -9.4

#   11 L  -81.566  -14.709    9.374   11.075    0.139 0.731 25 17 Strong
  11   LEU  PHI    -101.6   -61.6
  11   LEU  PSI     -36.9     7.4

#   12 G   86.530    1.432   13.201   19.724    0.151 0.722 25 17 Strong
  12   GLY  PHI      60.1   112.9
  12   GLY  PSI     -38.0    40.9

#   13 S -147.618  156.077   30.412   10.510    0.148 0.782 25 17 Strong
  13   SER  PHI    -208.4   -86.8
  13   SER  PSI     135.1   177.1

#   14 V  -62.428  -39.786    6.101    5.950    0.142 0.872 25 18 Strong
  14   VAL  PHI     -82.4   -42.4
  14   VAL  PSI     -59.8   -19.8

#   15 S  -59.863  -41.006    3.709    5.284    0.085 0.897 25 18 Strong
  15   SER  PHI     -79.9   -39.9
  15   SER  PSI     -61.0   -21.0

#   16 A  -66.759  -36.752    3.907    5.139    0.079 0.889 25 18 Strong
  16   ALA  PHI     -86.8   -46.8
  16   ALA  PSI     -56.8   -16.8

#   17 L  -65.136  -43.937    2.994    5.088    0.067 0.880 25 18 Strong
  17   LEU  PHI     -85.1   -45.1
  17   LEU  PSI     -63.9   -23.9

#   18 A  -61.149  -42.518    4.048    5.360    0.065 0.885 25 18 Strong
  18   ALA  PHI     -81.1   -41.1
  18   ALA  PSI     -62.5   -22.5

#   19 A  -65.339  -39.128    4.256    5.898    0.057 0.877 25 18 Strong
  19   ALA  PHI     -85.3   -45.3
  19   ALA  PSI     -59.1   -19.1

#   20 A  -64.072  -34.767    3.758    6.462    0.068 0.846 25 18 Strong
  20   ALA  PHI     -84.1   -44.1
  20   ALA  PSI     -54.8   -14.8

#   21 L  -88.602  -12.630    6.002    4.364    0.071 0.838 25 17 Strong
  21   LEU  PHI    -108.6   -68.6
  21   LEU  PSI     -32.6     7.4

#   22 G   71.066   36.679    6.025    4.988    0.075 0.846 25 17 Strong
  22   GLY  PHI      51.1    91.1
  22   GLY  PSI      16.7    56.7

#   23 V -126.118  164.940    5.944    7.303    0.083 0.886 25 17 Strong
  23   VAL  PHI    -146.1  -106.1
  23   VAL  PSI     144.9   184.9

#   24 N  -73.340  154.379    9.124    5.887    0.105 0.891 25 18 Strong
  24   ASN  PHI     -93.3   -53.3
  24   ASN  PSI     134.4   174.4

#   25 Q  -59.250  -37.540    3.678    5.718    0.188 0.896 25 18 Strong
  25   GLN  PHI     -79.2   -39.2
  25   GLN  PSI     -57.5   -17.5

#   26 S  -64.183  -34.185    3.905    5.431    0.181 0.892 25 18 Strong
  26   SER  PHI     -84.2   -44.2
  26   SER  PSI     -54.2   -14.2

#   27 A  -68.357  -40.477    5.197    5.280    0.225 0.901 25 18 Strong
  27   ALA  PHI     -88.4   -48.4
  27   ALA  PSI     -60.5   -20.5

#   28 I  -65.463  -38.908    4.344    5.858    0.270 0.911 25 17 Strong
  28   ILE  PHI     -85.5   -45.5
  28   ILE  PSI     -58.9   -18.9

#   29 S  -64.450  -40.180    3.520    4.156    0.204 0.910 25 17 Strong
  29   SER  PHI     -84.5   -44.5
  29   SER  PSI     -60.2   -20.2

#   30 Q  -64.947  -41.531    2.618    4.678    0.179 0.898 25 17 Strong
  30   GLN  PHI     -84.9   -44.9
  30   GLN  PSI     -61.5   -21.5

#   31 W  -61.102  -40.941    3.455    4.030    0.181 0.882 25 18 Strong
  31   TRP  PHI     -81.1   -41.1
  31   TRP  PSI     -60.9   -20.9

#   32 R  -64.090  -40.735    3.620    5.347    0.100 0.869 25 18 Strong
  32   ARG  PHI     -84.1   -44.1
  32   ARG  PSI     -60.7   -20.7

#   33 A  -68.791  -30.686    4.808    7.893    0.117 0.807 25 18 Strong
  33   ALA  PHI     -88.8   -48.8
  33   ALA  PSI     -50.7   -10.7

#   34 R  -92.460   -3.219   10.174   12.822    0.168 0.777 25 17 Strong
  34   ARG  PHI    -112.8   -72.1
  34   ARG  PSI     -28.9    22.4

#   35 G   73.798   23.335   10.402   14.801    0.149 0.775 25 17 Strong
  35   GLY  PHI      53.0    94.6
  35   GLY  PSI      -6.3    52.9

#   36 R -132.626  156.828   16.530    6.955    0.298 0.835 25 16 Strong
  36   ARG  PHI    -165.7   -99.6
  36   ARG  PSI     136.8   176.8

#   37 V  -86.417  125.393   18.115   17.033    0.518 0.864 25 15 Strong
  37   VAL  PHI    -122.6   -50.2
  37   VAL  PSI      91.3   159.5

#   38 P  -66.823  148.038    6.136    9.090    0.565 0.840 25 15 Strong
  38   PRO  PSI     128.0   168.0

#   39 A  -59.334  138.157    6.947    8.710    0.596 0.808 25 15 Strong
  39   ALA  PHI     -79.3   -39.3
  39   ALA  PSI     118.2   158.2

#   42 c  -60.809  -38.440    6.162    5.632    0.559 0.861 25 17 Strong
  42   CYSS  PHI     -80.8   -40.8
  42   CYSS  PSI     -58.4   -18.4

#   43 I  -66.335  -37.127    4.187    6.190    0.419 0.872 25 18 Strong
  43   ILE  PHI     -86.3   -46.3
  43   ILE  PSI     -57.1   -17.1

#   44 D  -67.745  -37.115    3.048    5.233    0.283 0.875 25 18 Strong
  44   ASP  PHI     -87.7   -47.7
  44   ASP  PSI     -57.1   -17.1

#   45 I  -68.559  -36.254    5.281    8.432    0.214 0.868 25 18 Strong
  45   ILE  PHI     -88.6   -48.6
  45   ILE  PSI     -56.3   -16.3

#   46 E  -64.343  -29.926    5.102    6.527    0.199 0.867 25 18 Strong
  46   GLU  PHI     -84.3   -44.3
  46   GLU  PSI     -49.9    -9.9

#   47 L  -69.961  -25.743    5.712    5.111    0.228 0.856 25 18 Strong
  47   LEU  PHI     -90.0   -50.0
  47   LEU  PSI     -45.7    -5.7

#   48 Y -106.611    1.006    7.189   13.422    0.286 0.845 25 18 Strong
  48   TYR  PHI    -126.6   -86.6
  48   TYR  PSI     -25.8    27.9

#   50 D  -86.288  -13.859   18.313   18.646    0.667 0.803 10 17 Generous
  50   ASP  PHI    -141.2   -31.3
  50   ASP  PSI     -69.8    42.1

#   52 R  -70.342  -31.289    7.539    8.235    0.453 0.817 25 17 Strong
  52   ARG  PHI     -90.3   -50.3
  52   ARG  PSI     -51.3   -11.3

#   53 V -129.692  142.347   10.743   14.718    0.417 0.849 25 18 Strong
  53   VAL  PHI    -151.2  -108.2
  53   VAL  PSI     112.9   171.8

#   54 E  -82.903  121.271    7.632   14.543    0.478 0.861 25 18 Strong
  54   GLU  PHI    -102.9   -62.9
  54   GLU  PSI      92.2   150.4

#   55 c  -74.248  125.940   11.011    9.343    0.463 0.884 25 18 Strong
  55   CYSS  PHI     -96.3   -52.2
  55   CYSS  PSI     105.9   145.9

#   56 R -119.872  144.305   13.354   14.444    0.442 0.881 25 18 Strong
  56   ARG  PHI    -146.6   -93.2
  56   ARG  PSI     115.4   173.2

#   57 E -116.223  139.363   12.488   11.441    0.401 0.860 25 18 Strong
  57   GLU  PHI    -141.2   -91.2
  57   GLU  PSI     116.5   162.2

#   58 L  -76.411  136.824   10.748   11.575    0.419 0.726 25 17 Strong
  58   LEU  PHI     -97.9   -54.9
  58   LEU  PSI     113.7   160.0

#   59 R  -67.464  140.879    7.492   11.646    0.520 0.665 25 15 Strong
  59   ARG  PHI     -87.5   -47.5
  59   ARG  PSI     117.6   164.2

# Chi1 angles

#   4 I 18 0.843 0.061 0.096 g-
   4   ILE  CHI1      -100     -20

#   6 I 18 0.886 0.050 0.064 g-
  6   ILE  CHI1      -100     -20

#   8 I 18 0.886 0.050 0.064 g-
  8   ILE  CHI1      -100     -20

#  11 L 17 0.892 0.054 0.054 g-
  11   LEU  CHI1      -100     -20

#  13 S 17 0.084 0.749 0.167 g+
  13   SER  CHI1        20     100

#  14 V 18 0.055 0.118 0.827 t
  14   VAL  CHI1     -220    -140

#  21 L 17 0.825 0.050 0.125 g-
  21   LEU  CHI1      -100     -20

#  23 V 17 0.820 0.069 0.111 g-
  23   VAL  CHI1      -100     -20

#  28 I 17 0.898 0.051 0.051 g-
  28   ILE  CHI1      -100     -20

#  43 I 18 0.834 0.055 0.111 g-
  43   ILE  CHI1      -100     -20

#  45 I 18 0.843 0.096 0.061 g-
  45   ILE  CHI1      -100     -20

#  48 Y 18 0.859 0.036 0.104 g-
  48   TYR  CHI1      -100     -20

#  49 T 18 0.100 0.738 0.163 g+
  49   THR  CHI1        20     100



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