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
628944 5w8z 30310 cing 1-original 2 DYANA/DIANA dihedral angle


# Restraints file 2: XPH2.aco

#    2 K -118.053  138.963   10.427   11.821    0.484 0.845 25 16 Strong
   2   LYS  PHI    -138.9   -97.2
   2   LYS  PSI     115.3   162.6

#    3 K -100.979  126.106   11.679    8.563    0.325 0.851 25 17 Strong
   3   LYS  PHI    -124.3   -77.6
   3   LYS  PSI     106.1   146.1

#    4 I -124.048  138.535   13.626   15.294    0.274 0.856 25 15 Strong
   4   ILE  PHI    -151.3   -96.8
   4   ILE  PSI     107.9   169.1

#    5 P  -60.887  142.833    5.567    8.907    0.181 0.868 25 15 Strong
   5   PRO  PSI     122.8   162.8

#    6 L  -56.248  -41.999    4.718    5.230    0.121 0.872 25 16 Strong
   6   LEU  PHI     -76.2   -36.2
   6   LEU  PSI     -62.0   -22.0

#    7 S  -63.006  -35.662    3.787    4.925    0.137 0.883 25 18 Strong
   7   SER  PHI     -83.0   -43.0
   7   SER  PSI     -55.7   -15.7

#    8 K  -71.139  -38.301    3.065    4.180    0.150 0.882 25 18 Strong
   8   LYS  PHI     -91.1   -51.1
   8   LYS  PSI     -58.3   -18.3

#    9 Y  -63.671  -44.349    5.273    4.199    0.213 0.889 25 18 Strong
   9   TYR  PHI     -83.7   -43.7
   9   TYR  PSI     -64.3   -24.3

#   10 L  -66.519  -34.598    5.769    8.710    0.277 0.873 25 18 Strong
  10   LEU  PHI     -86.5   -46.5
  10   LEU  PSI     -54.6   -14.6

#   11 E  -72.510  -33.398   10.796    6.557    0.346 0.858 25 18 Strong
  11   GLU  PHI     -94.1   -50.9
  11   GLU  PSI     -53.4   -13.4

#   12 E -101.752  -22.716   12.251   15.241    0.428 0.827 25 18 Strong
  12   GLU  PHI    -126.3   -77.2
  12   GLU  PSI     -53.2     7.8

#   13 H -114.190  -13.777   10.951   16.457    0.498 0.822 25 17 Strong
  13   HIS  PHI    -136.1   -92.3
  13   HIS  PSI     -46.7    19.1

#   15 T -129.080  165.136   18.368    9.818    0.222 0.872 25 17 Strong
  15   THR  PHI    -165.8   -92.3
  15   THR  PSI     145.1   185.1

#   16 Q  -60.364  -40.386    6.669    5.231    0.127 0.896 25 18 Strong
  16   GLN  PHI     -80.4   -40.4
  16   GLN  PSI     -60.4   -20.4

#   17 S  -65.312  -40.577    3.841    5.077    0.087 0.891 25 18 Strong
  17   SER  PHI     -85.3   -45.3
  17   SER  PSI     -60.6   -20.6

#   18 A  -66.246  -38.192    4.409    4.710    0.074 0.878 25 17 Strong
  18   ALA  PHI     -86.2   -46.2
  18   ALA  PSI     -58.2   -18.2

#   19 L  -65.976  -42.879    3.516    4.043    0.072 0.869 25 17 Strong
  19   LEU  PHI     -86.0   -46.0
  19   LEU  PSI     -62.9   -22.9

#   20 A  -59.475  -43.404    4.046    4.705    0.062 0.877 25 17 Strong
  20   ALA  PHI     -79.5   -39.5
  20   ALA  PSI     -63.4   -23.4

#   21 A  -65.085  -40.984    4.161    5.189    0.059 0.866 25 18 Strong
  21   ALA  PHI     -85.1   -45.1
  21   ALA  PSI     -61.0   -21.0

#   22 A  -66.638  -37.483    6.622    4.580    0.068 0.825 25 18 Strong
  22   ALA  PHI     -86.6   -46.6
  22   ALA  PSI     -57.5   -17.5

#   23 L  -88.053  -13.610    8.467    6.725    0.068 0.814 25 17 Strong
  23   LEU  PHI    -108.1   -68.1
  23   LEU  PSI     -33.6     6.4

#   24 G   71.895   35.421    5.570    4.134    0.068 0.816 25 17 Strong
  24   GLY  PHI      51.9    91.9
  24   GLY  PSI      15.4    55.4

#   25 V -126.289  163.505    5.644    7.227    0.073 0.864 25 17 Strong
  25   VAL  PHI    -146.3  -106.3
  25   VAL  PSI     143.5   183.5

#   26 N  -70.470  145.337   10.139    9.829    0.085 0.867 25 18 Strong
  26   ASN  PHI     -90.7   -50.2
  26   ASN  PSI     125.3   165.3

#   27 Q  -58.512  -37.650    3.197    4.846    0.091 0.882 25 18 Strong
  27   GLN  PHI     -78.5   -38.5
  27   GLN  PSI     -57.6   -17.6

#   28 S  -65.273  -35.119    3.305    5.675    0.074 0.872 25 18 Strong
  28   SER  PHI     -85.3   -45.3
  28   SER  PSI     -55.1   -15.1

#   29 A  -68.730  -38.720    3.443    4.766    0.055 0.881 25 18 Strong
  29   ALA  PHI     -88.7   -48.7
  29   ALA  PSI     -58.7   -18.7

#   30 I  -67.353  -40.556    4.682    4.808    0.054 0.885 25 18 Strong
  30   ILE  PHI     -87.4   -47.4
  30   ILE  PSI     -60.6   -20.6

#   31 S  -64.158  -41.156    3.052    4.733    0.042 0.898 25 18 Strong
  31   SER  PHI     -84.2   -44.2
  31   SER  PSI     -61.2   -21.2

#   32 Q  -66.657  -37.954    3.303    5.090    0.042 0.899 25 18 Strong
  32   GLN  PHI     -86.7   -46.7
  32   GLN  PSI     -58.0   -18.0

#   33 M  -65.746  -43.844    3.151    5.145    0.056 0.893 25 17 Strong
  33   MET  PHI     -85.7   -45.7
  33   MET  PSI     -63.8   -23.8

#   34 V  -65.695  -44.001    4.511    4.559    0.055 0.868 25 17 Strong
  34   VAL  PHI     -85.7   -45.7
  34   VAL  PSI     -64.0   -24.0

#   35 R  -65.704  -30.327    5.250    5.990    0.061 0.813 25 17 Strong
  35   ARG  PHI     -85.7   -45.7
  35   ARG  PSI     -50.3   -10.3

#   36 A  -81.272   -5.220    7.945    6.936    0.087 0.707 25 17 Strong
  36   ALA  PHI    -101.3   -61.3
  36   ALA  PSI     -25.2    14.8

#   37 G   73.763   23.660    8.977    7.202    0.101 0.628 25 17 Strong
  37   GLY  PHI      53.8    93.8
  37   GLY  PSI       3.7    43.7

#   38 R  -80.680  136.910   10.804    9.360    0.150 0.633 25 17 Strong
  38   ARG  PHI    -102.3   -59.1
  38   ARG  PSI     116.9   156.9

#   39 C  -70.479  135.105    6.254    9.286    0.276 0.697 25 18 Strong
  39   CYS  PHI     -90.5   -50.5
  39   CYS  PSI     115.1   155.1

#   40 I -124.557  132.412   12.009    9.974    0.242 0.798 25 18 Strong
  40   ILE  PHI    -148.6  -100.5
  40   ILE  PSI     112.4   152.4

#   41 D -108.858  123.769   12.478    9.298    0.257 0.818 25 18 Strong
  41   ASP  PHI    -133.8   -83.9
  41   ASP  PSI     103.8   143.8

#   42 I -104.826  126.128    9.036    7.340    0.278 0.835 25 18 Strong
  42   ILE  PHI    -124.8   -84.8
  42   ILE  PSI     106.1   146.1

#   43 E -105.963  124.744   16.441   13.200    0.256 0.811 25 18 Strong
  43   GLU  PHI    -138.8   -73.1
  43   GLU  PSI      98.3   151.1

#   44 L -106.490  125.589    8.952   10.380    0.216 0.809 25 17 Strong
  44   LEU  PHI    -126.5   -86.5
  44   LEU  PSI     104.8   146.3

#   45 Y  -82.098  158.997    9.510    7.543    0.180 0.788 25 15 Strong
  45   TYR  PHI    -102.1   -62.1
  45   TYR  PSI     139.0   179.0

#   46 T  -63.792  -20.985    5.172    5.588    0.104 0.775 25 15 Strong
  46   THR  PHI     -83.8   -43.8
  46   THR  PSI     -41.0    -1.0

#   47 D  -84.989    1.086    5.956    4.338    0.070 0.734 25 15 Strong
  47   ASP  PHI    -105.0   -65.0
  47   ASP  PSI     -18.9    21.1

#   48 G   93.677   -8.169    7.681    6.760    0.074 0.743 25 17 Strong
  48   GLY  PHI      73.7   113.7
  48   GLY  PSI     -28.2    11.8

#   49 R  -69.248  142.119    6.998    6.988    0.108 0.779 25 17 Strong
  49   ARG  PHI     -89.2   -49.2
  49   ARG  PSI     122.1   162.1

#   50 V -113.296  139.159   15.931   12.163    0.252 0.844 25 18 Strong
  50   VAL  PHI    -145.2   -81.4
  50   VAL  PSI     114.8   163.5

#   51 E -134.285  150.389   11.877   12.104    0.368 0.855 25 17 Strong
  51   GLU  PHI    -158.0  -110.5
  51   GLU  PSI     126.2   174.6

#   52 C  -75.136  130.432    9.934   14.198    0.271 0.842 25 17 Strong
  52   CYS  PHI     -95.1   -55.1
  52   CYS  PSI     102.0   158.8

#   53 R  -61.189  -27.533    9.885    9.918    0.262 0.839 25 17 Strong
  53   ARG  PHI     -81.2   -41.2
  53   ARG  PSI     -47.5    -7.5

#   54 E  -69.428  -18.161    5.727    6.795    0.296 0.825 25 18 Strong
  54   GLU  PHI     -89.4   -49.4
  54   GLU  PSI     -38.2     1.8

#   56 R  -72.464  129.774   13.498   12.934    0.333 0.745 25 15 Strong
  56   ARG  PHI     -99.5   -45.5
  56   ARG  PSI     103.9   155.6

#   57 P  -60.957  -27.155    6.855    7.493    0.338 0.678 25 15 Strong
  57   PRO  PSI     -47.2    -7.2

#   58 D  -77.322  -11.350    8.296    8.756    0.449 0.651 25 16 Strong
  58   ASP  PHI     -97.3   -57.3
  58   ASP  PSI     -31.4     8.7

# CHI1 angles from TALOS-N g-/g+/t

#   4 I 12 0.717 0.239 0.043 g-
   4   ILE  CHI1      -100     -20

#   9 Y 17 0.171 0.034 0.796 t
   9   TYR  CHI1     -220    -140

#  15 T 16 0.048 0.876 0.076 g+
  15   THR  CHI1        20     100

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

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

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

#  34 V 16 0.073 0.055 0.872 t
  34   VAL  CHI1      -220    -140

#  40 I 17 0.693 0.154 0.154 g-
  40   ILE  CHI1      -100     -20

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

#  45 Y 14 0.911 0.044 0.044 g-
  45   TYR  CHI1      -100     -20

#  47 D 14 0.183 0.733 0.084 g+
  47   ASP  CHI1        20     100

#  52 C 17 0.131 0.131 0.737 t
  52   CYS  CHI1      -220    -140




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