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
11098 1qwv 5689 cing 1-original 6 DYANA/DIANA dihedral angle


# also based on 07/17/03 water refined structures
   2 PRO   PSI     -21.0   +5.0  # helix 1a

   3 GLU-  PHI     -61.0   -46.0 # helix 1a
   3 GLU-  PSI     -69.0   -64.0

   4 ILE   PHI     -87.0   -72.0 # helix 1a
   4 ILE   PSI     -15.0   -11.0

   5 MET   PHI     -79.0   -63.0 # helix 1a
   5 MET   PSI     -50.0   -22.0

   6 LYS+  PHI    -100.0   -63.0
   6 LYS+  PSI      79.0   120.0

   7 ASN   PHI     -89.0   -63.0  
   7 ASN   PSI     103.0   148.0

   8 LEU   PHI     -83.0   -54.0 # helix 1a
   8 LEU   PSI     -52.0   -20.0

   9 SER   PHI     -71.0   -55.0 # helix 1a
   9 SER   PSI     -39.0   -15.0

  10 ASN   PHI     -75.0   -62.0 # helix 1a
  10 ASN   PSI     -36.0   -19.0

  11 ASN   PHI     -80.0   -69.0 # helix 1a
  11 ASN   PSI     -55.0   -40.0

  12 PHE   PHI     -85.0   -37.0 # helix 1a
  12 PHE   PSI     -91.0   -65.0

  13 GLY   PHI     +48.0   +63.0 # L
  13 GLY   PSI     +30.0   +46.0
 
  14 LYS+  PHI     -85.0   -54.0 # H
  14 LYS+  PSI     -65.0   -38.0

  15 ALA   PHI    -160.0  -145.0
  15 ALA   PSI      56.0   105.0

  16 MET   PHI     -81.0   -71.0 # helix 1b
  16 MET   PSI     -46.0   -22.0

  17 ASP-  PHI     -66.0   -54.0 # helix 1b
  17 ASP-  PSI     -44.0   -24.0

  18 GLN   PHI     -91.0   -89.0 # helix 1b
  18 GLN   PSI     -25.0   -12.0

  19 CYSS  PHI     -75.0   -56.0 # helix 1b
  19 CYSS  PSI     -35.0   -27.0

  20 LYS+  PHI     -62.0   -55.0 # helix 1b
  20 LYS+  PSI     -55.0   -37.0

  21 ASP-  PHI     -81.0   -71.0 # helix 1b
  21 ASP-  PSI     -47.0   -33.0

  22 GLU-  PHI     -70.0   -62.0 # helix 1b
  22 GLU-  PSI     -44.0   -33.0

  23 LEU   PHI     -90.0   -78.0 # helix 1b
  23 LEU   PSI     -20.0    -1.0

  24 SER   PHI     +58.0   +67.0 # L
  24 SER   PSI     +27.0   +49.0

  25 LEU   PHI     -69.0   -51.0 # b
  25 LEU   PSI     122.0   141.0

  26 PRO   PSI     150.0   163.0 # b

  27 ASP-  PHI     -71.0   -55.0 # helix 2
  27 ASP-  PSI     -31.0   -10.0

  28 SER   PHI     -82.0   -64.0 # helix 2
  28 SER   PSI     -55.0   -30.0

  29 VAL   PHI     -88.0   -71.0 # helix 2
  29 VAL   PSI     -56.0   -41.0

  30 VAL   PHI     -59.0   -52.0 # helix 2
  30 VAL   PSI     -37.0   -21.0

  31 ALA   PHI     -80.0   -66.0 # helix 2
  31 ALA   PSI     -51.0   -42.0

  32 ASP-  PHI     -83.0   -64.0 # helix 2
  32 ASP-  PSI     -36.0   -21.0

  33 LEU   PHI     -59.0   -43.0 # helix 2
  33 LEU   PSI     -55.0   -33.0

  34 TYR   PHI     -88.0   -65.0 # helix 2
  34 TYR   PSI       3.0     6.0

  35 ASN   PHI     -87.0   -51.0
  35 ASN   PSI      70.0   140.0

  36 PHE   PHI    -100.0   -72.0
  36 PHE   PSI     -35.0     2.0

  37 TRP   PHI      -90.0  -60.0
  37 TRP   PSI      100.0  170.0

  38 LYS+  PHI    -90.0    -65.0
  38 LYS+  PSI     55.0     80.0

  39 ASP-  PHI     -62.0   -44.0 # H
  39 ASP-  PSI     -60.0    10.0

  40 ASP-  PHI     +50.0 +100.0  # set to L
  40 ASP-  PSI     +20.0  +70.0

  41 TYR   PHI    -140.0   -78.0 # b
  41 TYR   PSI     145.0   175.0

  42 VAL   PHI    -110.0   -85.0 # b
  42 VAL   PSI     115.0   135.0

  43 MET   PHI     -80.0   -60.0 # b
  43 MET   PSI      93.0   103.0

  44 THR   PHI    -110.0   -85.0 # H
  44 THR   PSI     -40.5    -5.0

  45 ASP-  PHI    -100.0   -70.0 # b
  45 ASP-  PSI     120.0   145.0

  46 ARG+  PHI     -85.0   -45.0 # helix 3
  46 ARG+  PSI     -42.0   -22.0

  47 LEU   PHI     -78.0   -65.0 # helix 3
  47 LEU   PSI     -20.0   -13.0

  48 ALA   PHI     -84.0   -72.0 # helix 3
  48 ALA   PSI     -61.0   -50.0

  49 GLY   PHI     -43.0   -38.0 # helix 3
  49 GLY   PSI     -47.0   -31.0

  50 CYSS  PHI     -84.0   -64.0 # helix 3
  50 CYSS  PSI     -42.0   -25.0 

  51 ALA   PHI     -95.0   -63.0 # helix 3
  51 ALA   PSI     -23.0     3.0

  52 ILE   PHI     -77.0   -48.0 # helix 3 
  52 ILE   PSI     -40.0   -20.0

  53 ASN   PHI    -145.0  -105.0
  53 ASN   PSI      45.0    85.0 

  54 CYSS  PHI    -125.0   -95.0 # helix 3
  54 CYSS  PSI     -45.0   -25.0

  55 LEU   PHI     -75.0   -45.0 # bend in helix 3
  55 LEU   PSI     -82.0   -45.0

  56 ALA   PHI    -125.0   -85.0 # helix 3 (or 3b)
  56 ALA   PSI     -15.0     5.0 

  57 THR   PHI     -83.0   -62.0 # helix 3 (or 3b)
  57 THR   PSI     -45.0   -25.0

  58 LYS+  PHI     -82.0   -49.0 # helix 3 (or 3b)
  58 LYS+  PSI     -40.0    +5.0

  59 LEU   PHI     -82.0   -66.0 # helix 3 (or 3b)
  59 LEU   PSI     -65.0   -60.0 

  60 ASP-  PHI     -175.0  -135.0
  60 ASP-  PSI      102.0   145.0

# 61 VAL   PHI                   # unknown
# 61 VAL   PSI

  62 VAL   PHI    -110.0   -88.0 # b
  62 VAL   PSI     115.0   125.0

  63 ASP-  PHI     -75.0   -65.0 # H
  63 ASP-  PSI     -60.0   -50.0

  64 PRO   PSI    -155.0  -140.0 # below H

  65 ASP-  PHI     -83.0   -73.0 # above H
  65 ASP-  PSI     -11.0   +10.0 

  66 GLY   PHI      95.0   157.0 # gly-only area
  66 GLY   PSI     -75.0   -50.0

  67 ASN   PHI     -87.0   -70.0 # b
  67 ASN   PSI     150.0   170.0

  68 LEU   PHI     +70.0   +80.0 # L
  68 LEU   PSI     +30.0   +50.0

  69 HIS+  PHI     -90.0   -75.0
  69 HIS+  PSI      70.0    80.0

  70 HIS+  PHI     -85.0   -72.0 # helix 4
  70 HIS+  PSI     -61.0   -32.0

  71 GLY   PHI     -75.0   -60.0 # helix 4
  71 GLY   PSI     -63.0   -53.0

  72 ASN   PHI     -63.0   -54.0 # helix 4
  72 ASN   PSI     -34.0   -24.0

  73 ALA   PHI     -73.0   -66.0 # helix 4
  73 ALA   PSI     -35.0   -23.0

  74 LYS+  PHI     -92.0   -82.0 # helix 4
  74 LYS+  PSI     -42.0   -27.0

  75 ASP-  PHI     -64.0   -57.0 # helix 4
  75 ASP-  PSI     -40.0   -28.0

  76 PHE   PHI     -63.0   -55.0 # helix 4
  76 PHE   PSI     -42.0   -24.0

  77 ALA   PHI     -82.0   -72.0 # helix 4
  77 ALA   PSI     -40.0   -25.0

  78 MET   PHI     -74.0   -68.0 # helix 4
  78 MET   PSI     -39.0   -16.0

  79 LYS+  PHI     -93.0   -83.0 # helix 4
  79 LYS+  PSI     -16.0    -8.0

  80 HIS+  PHI    -145.0  -135.0 # b
  80 HIS+  PSI      88.0    96.0
 
  81 GLY   PHI     100.0   130.0 # gly-only area
  81 GLY   PSI     -75.0   -63.0

  82 ALA   PHI    -107.0   -72.0 # b
  82 ALA   PSI     125.0   157.0

  83 ASP-  PHI     -95.0   -78.0 # b
  83 ASP-  PSI     152.0   172.0

  84 GLU-  PHI     -72.0   -56.0 # helix 5
  84 GLU-  PSI     -48.0   -23.0

  85 THR   PHI     -73.0   -53.0 # helix 5
  85 THR   PSI     -45.0   -18.0

  86 MET   PHI     -91.0   -77.0 # helix 5
  86 MET   PSI     -50.0   -40.0

  87 ALA   PHI     -65.0   -55.0 # helix 5
  87 ALA   PSI     -43.0   -33.0

  88 GLN   PHI     -82.0   -62.0 # helix 5
  88 GLN   PSI     -25.0   -18.0

  89 GLN   PHI     -86.0   -79.0 # helix 5
  89 GLN   PSI     -32.0   -24.0

  90 LEU   PHI     -87.0   -75.0 # helix 5
  90 LEU   PSI     -48.0   -40.0

  91 VAL   PHI     -68.0   -58.0 # helix 5
  91 VAL   PSI     -36.0   -28.0

  92 ASP-  PHI     -68.0   -55.0 # helix 5
  92 ASP-  PSI     -44.0   -38.0

  93 ILE   PHI     -68.0   -57.0 # helix 5
  93 ILE   PSI     -45.0   -39.0

  94 ILE   PHI     -60.0   -52.0 # helix 5
  94 ILE   PSI     -47.0   -40.0

  95 HIS+  PHI     -70.0   -50.0 # helix 5
  95 HIS+  PSI     -33.0   -28.0

  96 GLY   PHI    -100.0   -85.0 # helix 5
  96 GLY   PSI     -60.0   -40.0

  97 CYSS  PHI     -72.0   -65.0 # heilx 5
  97 CYSS  PSI     -43.0   -30.0

  98 GLU-  PHI     -67.0   -58.0 # helix 5
  98 GLU-  PSI     -37.0   -30.0

  99 LYS+  PHI     -75.0   -65.0 # helix 5
  99 LYS+  PSI     -43.0   -22.0

 100 SER   PHI    -115.0   -95.0 # above H
 100 SER   PSI       5.0    25.0

 101 ALA   PHI     -98.0   -62.0 # b
 101 ALA   PSI     125.0   155.0

 102 PRO   PSI     120.0   165.0 # b

 103 PRO   PSI      25.0    95.0  # unknown

 104 ASN   PHI    -125.0   -65.0
 104 ASN   PSI      95.0   175.0

 105 ASP-   PHI    -80.0  -60.0
 105 ASP-   PSI    -70.0  +95.0

 106 ASP-  PHI    -144.0   -92.0 # b
 106 ASP-  PSI     105.0   135.0

 107 LYS+  PHI     -45.0   -30.0 # helix 6
 107 LYS+  PSI     -75.0   -45.0

 108 CYSS  PHI     -95.0   -85.0 # helix 6
 108 CYSS  PSI     -30.0   -10.0

 109 MET   PHI     -85.0   -65.0 # helix 6
 109 MET   PSI     -45.0    -5.0

 110 LYS+  PHI     -65.0   -55.0 # helix 6
 110 LYS+  PSI     -48.0   -40.0

 111 THR   PHI     -57.0   -52.0 # helix 6
 111 THR   PSI     -14.0    -7.0

 112 ILE   PHI     -90.0   -82.0 # helix 6
 112 ILE   PSI     -41.0   -35.0

 113 ASP-  PHI     -62.0   -59.0 # helix 6
 113 ASP-  PSI     -37.0   -33.0

 114 VAL   PHI     -88.0   -75.0 # helix 6
 114 VAL   PSI     -38.0   -31.0

 115 ALA   PHI     -64.0   -61.0 # helix 6
 115 ALA   PSI     -54.0   -47.0

 116 MET   PHI     -80.0   -70.0 # helix 6
 116 MET   PSI     -25.0   -10.0

 117 CYSS  PHI     -72.0   -67.0 # helix 6
 117 CYSS  PSI     -30.0   -13.0

 118 PHE   PHI     -85.0   -66.0 # helix 6
 118 PHE   PSI     -48.0   -33.0

 119 LYS+  PHI     -67.0   -62.0 # helix 6
 119 LYS+  PSI     -28.0   -18.0

 120 LYS+  PHI     -70.0   -54.0 # helix 6
 120 LYS+  PSI     -54.0   -40.0

 121 GLU-  PHI     -67.0   -60.0 # helix 6
 121 GLU-  PSI     -56.0   -37.0

 122 ILE   PHI     -59.0   -49.0 # helix 6
 122 ILE   PSI     -35.0   -28.0

 123 HIS+  PHI     -70.0   -52.0 # helix 6
 123 HIS+  PSI     -30.0   -13.0

 124 LYS+  PHI     -78.0   -64.0 # helix 6
 124 LYS+  PSI     -33.0   -17.0

 125 LEU   PHI    -102.0   -67.0 # helix 6
 125 LEU   PSI     -35.0    10.0



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