Secondary structure calculation program - copyright by David Keith Smith, 1989
 1nksA.pdb                                                   
 1NKS  KINASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  194
             A       A K K                                                                        hydrogen bonding             Ooi's
 strk chain/ l amino u & S structure   bridge        dihedral angles                     donor    acceptor   donor    acceptor  N  N
 num  seq.no t acids t S + patterns   partners    phi    psi  omega  alpha kappa   tco to/energy fr/energy to/energy fr/energy  8 14
    1 A   1    MET M                    0    0  999.9  150.6  178.7  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0 11 34
    2 A   2    LYS K   E E  Aa     -   87    0  -71.5  134.6  176.9 -137.4 999.9 130.5   86 -2.5   88 -2.9    0  0.0    0  0.0 11 43
    3 A   3    ILE I   E E  Aa     -   88    0  -99.7  135.0  178.0 -176.8  21.5 142.9    0  0.0  117 -2.4    0  0.0  118 -1.1 13 59
    4 A   4    GLY G   E E  Aab    -   89  118 -125.0  131.2  178.6 -148.1  15.5 168.9   88 -2.6   90 -3.3    0  0.0    6 -0.7 14 70
    5 A   5    ILE I   E E  Aab    -   90  119 -104.1  117.7  179.7 -161.2  11.7 155.4  118 -2.9  120 -3.5    0  0.0    7 -0.6 12 72
    6 A   6    VAL V   E E  Aab    +   91  120  -98.7  117.7 -178.4  168.0  18.6 151.5   90 -3.4   92 -1.7    4 -0.7    0  0.0 13 74
    7 A   7    THR T   E E  Aab    +   92  121 -126.6  162.4  177.7  161.1   7.4 149.4  120 -2.0  122 -2.8    5 -0.6    0  0.0 13 70
    8 A   8    GLY G   E E  A b    -    0  122 -170.6  151.5  174.8 -106.4  40.2 155.0   92 -0.5    0  0.0    0  0.0    0  0.0 13 65
    9 A   9    ILE I     e     > T -    0    0  -80.7  156.4 -177.3  -74.6  62.5 116.8  122 -0.7   12 -1.0    0  0.0    0  0.0 14 62
   10 A  10    PRO P   T T     3 TS+    0    0  -54.9  136.4  179.3   31.6 117.9 106.3    0  0.0    0  0.0    0  0.0    0  0.0  5 60
   11 A  11    GLY G   T T     3 TS+    0    0   93.0   13.5  178.7  107.9  80.9  53.3    0  0.0    0  0.0    0  0.0    0  0.0  9 56
   12 A  12    VAL V   S t     < TS-    0    0  -98.4   -6.1  179.8 -109.4  90.4  57.4    9 -1.0    0  0.0    0  0.0    0  0.0 11 57
   13 A  13    GLY G     h >     T +    0    0   85.6   28.8  177.5  155.6  61.0  41.4    0  0.0   17 -2.7    0  0.0    0  0.0  8 51
   14 A  14    LYS K   H H >     T +    0    0  -56.6  -42.0 -176.1   52.4  68.6  31.1    0  0.0   18 -2.6    0  0.0    0  0.0 10 54
   15 A  15    SER S   H H >     TS+    0    0  -70.4  -29.2  177.8   46.9 111.3  33.1    0  0.0   19 -1.5    0  0.0    0  0.0  6 46
   16 A  16    THR T   H H >     TS+    0    0  -70.2  -51.5  179.0   48.4 112.9  17.8    0  0.0   20 -2.3    0  0.0    0  0.0  8 42
   17 A  17    VAL V   H H X     TS+    0    0  -55.2  -43.2  179.3   53.1 110.4  22.2   13 -2.7   21 -2.4    0  0.0    0  0.0 13 49
   18 A  18    LEU L   H H X     TS+    0    0  -61.5  -35.1  177.0   53.9 105.4  31.4   14 -2.6   22 -1.8    0  0.0    0  0.0  9 52
   19 A  19    ALA A   H H X     TS+    0    0  -63.3  -53.7  177.0   50.0 107.5  13.2   15 -1.5   23 -2.6    0  0.0    0  0.0  8 36
   20 A  20    LYS K   H H X     TS+    0    0  -53.6  -43.6  178.1   55.7 106.5  20.8   16 -2.3   24 -2.5    0  0.0    0  0.0 11 38
   21 A  21    VAL V   H H X     TS+    0    0  -54.7  -43.3  179.3   46.3 110.6  17.4   17 -2.4   25 -2.1    0  0.0    0  0.0 13 51
   22 A  22    LYS K   H H X     TS+    0    0  -64.2  -45.9  178.3   44.2 115.5  21.4   18 -1.8   26 -1.9    0  0.0    0  0.0 10 41
   23 A  23    GLU E   H H X   > TS+    0    0  -64.0  -60.3  177.3   48.8 113.8   5.2   19 -2.6   27 -2.4    0  0.0   26 -0.7  8 29
   24 A  24    ILE I   H H <   3 TS+    0    0  -48.9  -40.4 -178.4   46.6 114.6  31.7   20 -2.5    0  0.0    0  0.0    0  0.0  8 33
   25 A  25    LEU L   H H <   >>TS+    0    0  -73.6  -30.5 -179.1   52.4 110.2  32.3   21 -2.1   30 -2.7    0  0.0   28 -0.7 11 35
   26 A  26    ASP D   H H <   X5TS+    0    0  -66.0  -42.7  175.9   56.8 104.1  17.8   22 -1.9   29 -2.2   23 -0.7   28 -1.5 10 23
   27 A  27    ASN N   T h <   35TS+    0    0  -78.5   40.0  179.9   43.8 111.2 101.6   23 -2.4    0  0.0    0  0.0    0  0.0  7 18
   28 A  28    GLN Q   T T     <5TS-    0    0 -161.2   -4.4  179.7 -121.5 112.0  88.8   26 -1.5    0  0.0   25 -0.7    0  0.0  6 20
   29 A  29    GLY G   T T     <5T +    0    0   56.8   31.2  176.7  158.7  55.5  37.7   26 -2.2    0  0.0    0  0.0    0  0.0  6 18
   30 A  30    ILE I     t      Ac   T -   91    0  -93.3  116.6 -175.9 -147.0  14.6 148.3    0  0.0   40 -3.1    0  0.0    0  0.0  9 45
   37 A  37    TYR Y   H H >     TS+    0    0  -54.8  -45.2  177.4   47.8  98.5  20.9   91 -2.0   41 -2.4   35 -0.6    0  0.0 10 59
   38 A  38    GLY G   H H >     TS+    0    0  -63.4  -39.8  178.1   51.3 111.8  20.7    0  0.0   42 -3.1    0  0.0    0  0.0  7 50
   39 A  39    ASP D   H H >     TS+    0    0  -63.8  -40.8  179.4   48.6 109.9  20.2    0  0.0   43 -2.6    0  0.0    0  0.0  8 36
   40 A  40    PHE F   H H X     TS+    0    0  -65.3  -32.7  177.3   51.1 111.6  30.8   36 -3.1   44 -2.0    0  0.0    0  0.0 11 47
   41 A  41    MET M   H H X     TS+    0    0  -63.7  -53.7  179.3   50.1 109.0  14.0   37 -2.4   45 -2.3    0  0.0    0  0.0 11 50
   42 A  42    LEU L   H H X     TS+    0    0  -48.4  -51.1  176.1   53.2 108.5  27.3   38 -3.1   46 -2.2    0  0.0    0  0.0 13 39
   43 A  43    ALA A   H H X     TS+    0    0  -51.7  -51.6  179.6   48.1 109.0  23.8   39 -2.6   47 -2.0    0  0.0    0  0.0  8 35
   44 A  44    THR T   H H <     TS+    0    0  -62.1  -35.2  178.3   56.5 108.6  29.0   40 -2.0    0  0.0    0  0.0    0  0.0 11 39
   45 A  45    ALA A   H H <   >>TS+    0    0  -57.1  -64.6  178.5   46.2 107.9   8.7   41 -2.3   48 -1.2    0  0.0   50 -0.9 13 38
   46 A  46    LEU L   H H <   >5TS+    0    0  -39.0  -58.2  178.0   53.9 109.3  30.7   42 -2.2   49 -2.0    0  0.0   48 -1.0 10 28
   47 A  47    LYS K   T h <   35TS+    0    0  -73.0   33.0 -179.7   39.0 116.6  97.1   43 -2.0    0  0.0    0  0.0    0  0.0  6 21
   48 A  48    LEU L   T T     <5TS-    0    0 -162.0    2.8  179.3 -120.3 111.0  86.8   45 -1.2    0  0.0   46 -1.0    0  0.0  6 25
   49 A  49    GLY G   T T     <5TS+    0    0   64.6   -3.4 -178.5  122.2  76.4  73.6   46 -2.0    0  0.0    0  0.0    0  0.0  7 21
   50 A  50    TYR Y   S t           TS-    0    0 -147.3  163.3 -179.3 -101.9  83.3 165.8    0  0.0   57 -1.9    0  0.0    0  0.0  7 24
   54 A  54    ARG R   H H >     TS+    0    0  -52.3  -43.1 -179.2   54.4 120.9  22.7    0  0.0   58 -2.1    0  0.0    0  0.0  8 26
   55 A  55    ASP D   H H 4     TS+    0    0  -58.4  -48.3 -179.3   42.1 109.3  28.5    0  0.0    0  0.0    0  0.0    0  0.0  6 19
   56 A  56    GLU E   H H 4   > TS+    0    0  -75.4  -19.2  176.7   57.5 112.5  43.2    0  0.0   59 -0.6    0  0.0    0  0.0  9 25
   57 A  57    MET M   H H <   > TS+    0    0  -72.6  -43.4  178.1   57.3  99.2  23.3   53 -1.9   60 -1.6    0  0.0    0  0.0 13 33
   58 A  58    ARG R   T h <   3 TS+    0    0  -68.6    3.8 -179.1   57.8 102.6  69.9   54 -2.1    0  0.0    0  0.0    0  0.0  7 32
   59 A  59    LYS K   T T     < TS+    0    0 -110.4  -14.0 -178.1  118.2  80.6  60.1   56 -0.6    0  0.0    0  0.0    0  0.0  6 23
   60 A  60    LEU L   S t     < TS-    0    0  -58.0  155.2  178.3  -86.4  75.3  94.2   57 -1.6    0  0.0    0  0.0    0  0.0  8 27
   61 A  61    SER S     h >     T -    0    0  -51.2  161.3  178.6 -111.8  39.1  94.5    0  0.0   65 -2.3    0  0.0    0  0.0  6 17
   62 A  62    VAL V   H H >     TS+    0    0  -67.3  -46.4  179.6   51.7 119.3  17.3    0  0.0   66 -2.6    0  0.0    0  0.0  6 22
   63 A  63    GLU E   H H >     TS+    0    0  -56.5  -36.3 -179.7   50.5 110.5  30.7    0  0.0   67 -1.6    0  0.0    0  0.0  6 20
   64 A  64    LYS K   H H >     TS+    0    0  -68.8  -50.4  176.3   48.5 108.9  15.9    0  0.0   68 -2.4    0  0.0    0  0.0  8 28
   65 A  65    GLN Q   H H X     TS+    0    0  -52.4  -47.5  177.6   53.1 110.5  19.4   61 -2.3   69 -2.3    0  0.0    0  0.0 11 42
   66 A  66    LYS K   H H X     TS+    0    0  -55.0  -40.1  176.9   53.3 106.7  27.9   62 -2.6   70 -2.5    0  0.0    0  0.0  8 37
   67 A  67    LYS K   H H X     TS+    0    0  -56.8  -55.2  178.7   45.6 111.0  14.7   63 -1.6   71 -2.0    0  0.0    0  0.0  8 37
   68 A  68    LEU L   H H X     TS+    0    0  -58.4  -33.8 -178.3   55.5 110.0  39.7   64 -2.4   72 -1.6    0  0.0    0  0.0 11 47
   69 A  69    GLN Q   H H X     TS+    0    0  -71.0  -44.0  178.4   43.6 110.6  17.9   65 -2.3   73 -2.6    0  0.0    0  0.0 10 50
   70 A  70    ILE I   H H X     TS+    0    0  -63.4  -59.3 -179.7   43.1 117.0   8.2   66 -2.5   74 -3.1    0  0.0    0  0.0 11 37
   71 A  71    ASP D   H H X     TS+    0    0  -53.0  -43.0  180.0   52.7 114.3  25.2   67 -2.0   75 -3.4    0  0.0    0  0.0  9 39
   72 A  72    ALA A   H H X     TS+    0    0  -61.2  -46.6  178.8   46.3 111.5   9.5   68 -1.6   76 -2.7    0  0.0    0  0.0 12 46
   73 A  73    ALA A   H H X     TS+    0    0  -55.7  -49.4 -179.8   45.8 115.1  21.3   69 -2.6   77 -1.6    0  0.0    0  0.0 12 50
   74 A  74    LYS K   H H X     TS+    0    0  -59.0  -46.4  178.6   52.8 112.4  21.4   70 -3.1   78 -2.0    0  0.0    0  0.0 10 37
   75 A  75    GLY G   H H X     TS+    0    0  -55.7  -49.1 -179.9   51.1 106.3  23.5   71 -3.4   79 -2.6    0  0.0    0  0.0  8 44
   76 A  76    ILE I   H H X     TS+    0    0  -61.9  -31.8  178.9   55.2 106.9  33.5   72 -2.7   80 -1.3    0  0.0    0  0.0 10 49
   77 A  77    ALA A   H H X     TS+    0    0  -68.5  -40.6  177.1   49.3 107.6  21.1   73 -1.6   81 -1.7    0  0.0    0  0.0 11 45
   78 A  78    GLU E   H H X   > TS+    0    0  -59.5  -50.9  177.1   55.0 107.6  18.7   74 -2.0   82 -3.0    0  0.0   81 -0.5  8 34
   79 A  79    GLU E   H H X   3 TS+    0    0  -50.9  -36.7 -178.8   47.4 109.4  37.1   75 -2.6   83 -1.2    0  0.0    0  0.0  8 38
   80 A  80    ALA A   H H <   3 TS+    0    0  -77.0  -32.4 -179.4   46.8 112.7  38.2   76 -1.3    0  0.0    0  0.0    0  0.0 12 36
   81 A  81    ARG R   H H <   X TS+    0    0  -76.1  -40.3  176.2   49.2 113.9  18.1   77 -1.7   84 -1.1   78 -0.5    0  0.0  8 28
   82 A  82    ALA A   H H <   3 TS+    0    0  -61.0  -38.4 -175.9   69.0  99.4  33.0   78 -3.0    0  0.0    0  0.0    0  0.0  7 21
   83 A  83    GLY G   T h <   3 TS-    0    0  -70.9    7.9  178.8 -149.1  88.4  73.0   79 -1.2    0  0.0    0  0.0    0  0.0  8 23
   84 A  84    GLY G     t     < T +    0    0   59.7 -152.3 -178.9    2.7  56.7  96.5   81 -1.1    0  0.0    0  0.0    0  0.0  7 21
   85 A  85    GLU E   S S        S+    0    0  -60.4  162.8  179.6   70.8  99.0 103.7    0  0.0    0  0.0    0  0.0    0  0.0  7 25
   86 A  86    GLY G   S e        S-    0    0  120.6  176.6 -176.7  -65.3  79.7 126.2    0  0.0    2 -2.5    0  0.0   88 -0.5 10 39
   87 A  87    TYR Y   E E  Aac    -    2   32 -113.5  113.2  177.8 -167.7  31.9 156.4   31 -2.5   33 -1.5    0  0.0   89 -0.5 13 52
   88 A  88    LEU L   E E  Aac    -    3   33 -100.6  127.8 -178.6 -162.7  11.9 149.2    2 -2.9    4 -2.6   86 -0.5    0  0.0 13 52
   89 A  89    PHE F   E E  Aac    -    4   34 -114.7  130.5  179.3 -153.7   6.3 161.0   33 -2.7   35 -2.1   87 -0.5   91 -0.5 12 69
   90 A  90    ILE I   E E  Aac    -    5   35 -103.3  128.0 -179.2 -154.1   5.8 150.2    4 -3.3    6 -3.4    0  0.0   92 -0.8 12 62
   91 A  91    ASP D   E E  Aac    +    6   36 -102.0  107.9  179.0  118.2  44.7 155.6   35 -3.0   37 -2.0   89 -0.5    0  0.0 11 58
   92 A  92    THR T   E E  Aa     -    7    0 -149.0 -165.9 -178.4  -83.9  59.3 138.0    6 -1.7    8 -0.5   90 -0.8    0  0.0 12 55
   93 A  93    HIS H               -    0    0 -115.7  150.3  173.5 -153.9   7.0 154.4    0  0.0    0  0.0    0  0.0    0  0.0 12 60
   94 A  94    ALA A   S e        S-    0    0  -81.2  -39.8  174.8   -0.4  93.0  33.3    0  0.0  105 -2.9    0  0.0  106 -0.6 15 61
   95 A  95    VAL V   E E  BD     -  104    0 -143.9  154.2  176.9 -149.3  67.6 166.3    0  0.0    0  0.0    0  0.0    0  0.0 14 51
   96 A  96    ILE I   E E  BD     -  103    0 -123.5  133.4  178.3 -127.1  20.5 168.0  103 -1.9  103 -2.6    0  0.0    0  0.0 10 43
   97 A  97    ARG R   E E  BD     +  102    0  -82.4  127.1 -179.2  164.3  40.8 133.7    0  0.0    0  0.0    0  0.0    0  0.0  8 35
   98 A  98    THR T   E E  BD > T -  101    0 -134.4  164.4 -179.4 -101.3  53.7 157.8  101 -1.4  101 -2.2    0  0.0    0  0.0  7 25
   99 A  99    PRO P   T T     3 TS+    0    0  -59.9  -28.5  175.7   54.1 123.7  33.9    0  0.0    0  0.0    0  0.0    0  0.0  4 14
  100 A 100    SER S   T T     3 TS-    0    0  -80.7   -8.4 -178.7  -95.5 123.6  61.5    0  0.0    0  0.0    0  0.0    0  0.0  4 11
  101 A 101    GLY G   E E  BD < TS-   98    0  123.2 -162.0 -178.6  -16.1  71.7 144.6   98 -2.2   98 -1.4    0  0.0    0  0.0  6 22
  102 A 102    TYR Y   E E  BD     -   97    0  -84.0  123.1  179.1 -155.4  57.0 132.8    0  0.0    0  0.0    0  0.0    0  0.0  9 33
  103 A 103    LEU L   E E  BD     -   96    0 -101.8  117.8  179.4 -122.9  20.7 154.1   96 -2.6   96 -1.9    0  0.0    0  0.0  8 38
  104 A 104    PRO P   E E  BD     -   95    0  -54.5  132.8  179.8 -154.2  14.0 112.2    0  0.0    0  0.0    0  0.0    0  0.0 11 47
  105 A 105    GLY G   S e        S+    0    0  -83.7  -21.4 -179.3   43.0  89.0  41.7   94 -2.9    0  0.0    0  0.0    0  0.0  9 57
  106 A 106    LEU L   S S        S+    0    0 -121.9   64.3  179.3  178.1  76.2 121.4   94 -0.6    0  0.0    0  0.0    0  0.0 12 64
  107 A 107    PRO P     h >   > T -    0    0  -62.8  160.3 -179.1  -98.8  46.1 102.3    0  0.0  111 -2.8    0  0.0  110 -2.6  8 49
  108 A 108    SER S   H H >   3 TS+    0    0  -46.5  -51.3 -177.8   59.1 122.1  27.5    0  0.0  112 -1.9    0  0.0    0  0.0  8 36
  109 A 109    TYR Y   H H 4   3 TS+    0    0  -60.2  -12.4  175.2   35.1 117.7  47.1    0  0.0    0  0.0    0  0.0    0  0.0  7 36
  110 A 110    VAL V   H H >   X TS+    0    0 -103.8  -50.4 -177.2   50.0 114.4  39.2  107 -2.6  114 -1.4    0  0.0  113 -1.4 11 51
  111 A 111    ILE I   H H X   > TS+    0    0  -61.2  -39.3  178.4   54.3 108.6  16.3  107 -2.8  115 -2.3    0  0.0  114 -0.6 14 53
  112 A 112    THR T   H H <   3 TS+    0    0  -68.9  -11.9  177.6   53.5 106.2  47.8  108 -1.9    0  0.0    0  0.0    0  0.0  9 39
  113 A 113    GLU E   H H 4   < TS+    0    0  -89.6  -27.4 -178.1   38.4 115.5  40.5  110 -1.4    0  0.0    0  0.0    0  0.0 10 40
  114 A 114    ILE I   H H <   < TS-    0    0  -88.7  -40.6  179.3 -164.1  81.9  32.9  110 -1.4    0  0.0  111 -0.6    0  0.0 10 54
  115 A 115    ASN N     h <     T -    0    0   50.5   65.6  179.6 -169.8  15.1  23.2  111 -2.3    0  0.0    0  0.0    0  0.0 11 47
  116 A 116    PRO P               -    0    0  -71.5  174.3  176.0 -141.9  26.2 101.2    0  0.0    0  0.0    0  0.0    0  0.0 12 60
  117 A 117    SER S   S e        S+    0    0 -100.9  -36.9 -176.7   27.2  86.1  49.6    3 -2.4  171 -2.0    0  0.0    0  0.0 10 44
  118 A 118    VAL V   E E  Abe    -    4  171 -133.6  140.2  175.8 -166.2  55.2 176.8    3 -1.1    5 -2.9    0  0.0    0  0.0 13 51
  119 A 119    ILE I   E E  Abe    -    5  172 -121.7  111.6  179.0 -155.9  23.9 171.1  171 -1.6  173 -2.2    0  0.0    0  0.0 15 64
  120 A 120    PHE F   E E  Abe    -    6  173  -95.2  143.4  176.7 -158.2   9.4 138.4    5 -3.5    7 -2.0    0  0.0  122 -0.6 14 68
  121 A 121    LEU L   E E  Abe    -    7  174 -116.2  107.4  178.2 -155.0   9.4 161.5  173 -3.3  175 -2.4    0  0.0  123 -0.6 15 64
  122 A 122    LEU L   E E  Abe    +    8  175  -80.9  119.5  175.2  174.8  22.5 136.6    7 -2.8    9 -0.7  120 -0.6    0  0.0 14 65
  123 A 123    GLU E   E E  A e    +    0  176 -116.7  168.5  178.2  178.4   9.6 140.7  175 -2.4  177 -3.0  121 -0.6    0  0.0 12 55
  124 A 124    ALA A               -    0    0 -152.7  173.2  177.3  -70.3  46.4 153.3    0  0.0    0  0.0    0  0.0    0  0.0 11 48
  125 A 125    ASP D     h >   > T -    0    0  -74.0  135.5  178.0 -126.0  42.3 124.1    0  0.0  129 -2.1    0  0.0  128 -0.8  6 38
  126 A 126    PRO P   H H >   3 TS+    0    0  -45.5  -42.8  177.7   56.1 111.0  28.8    0  0.0  130 -2.3    0  0.0    0  0.0  9 35
  127 A 127    LYS K   H H >   3 TS+    0    0  -57.2  -43.9  177.1   48.9 106.3  27.6    0  0.0  131 -2.0    0  0.0    0  0.0  7 31
  128 A 128    ILE I   H H >   < TS+    0    0  -63.4  -45.5  178.8   52.5 109.3  23.6  125 -0.8  132 -1.9    0  0.0    0  0.0  9 37
  129 A 129    ILE I   H H <     TS+    0    0  -58.9  -43.4  178.0   47.0 111.3  23.9  125 -2.1    0  0.0    0  0.0    0  0.0 11 44
  130 A 130    LEU L   H H X   > TS+    0    0  -64.9  -39.0  179.7   57.0 107.8  30.8  126 -2.3  134 -1.0    0  0.0  133 -1.0 12 34
  131 A 131    SER S   H H X   3 TS+    0    0  -62.6  -36.0  176.1   47.6 106.8  30.7  127 -2.0  135 -0.9    0  0.0    0  0.0  8 29
  132 A 132    ARG R   H H X   3 TS+    0    0  -79.1  -10.3 -178.4   70.0 102.1  56.6  128 -1.9  136 -1.0    0  0.0    0  0.0  9 37
  133 A 133    GLN Q   H H 4   < TS+    0    0  -78.6  -35.3  179.3   36.9 103.7  33.6  130 -1.0    0  0.0    0  0.0    0  0.0 12 31
  134 A 134    LYS K   H H <     TS+    0    0  -85.5  -24.8 -178.1   60.3 115.2  42.5  130 -1.0    0  0.0    0  0.0    0  0.0  8 24
  135 A 135    ARG R   H H <     TS+    0    0  -76.6  -29.5 -178.9   42.0 103.1  43.5  131 -0.9    0  0.0    0  0.0    0  0.0  6 21
  136 A 136    ASP D     h X     T +    0    0 -142.3  130.6 -179.6  172.8  41.0 162.4  132 -1.0  140 -0.6    0  0.0    0  0.0  8 22
  137 A 137    THR T   T T 4     T +    0    0 -118.4   44.3  163.3  127.4  39.1 113.9    0  0.0    0  0.0    0  0.0    0  0.0  8 18
  138 A 138    THR T   T T 4     TS-    0    0  -60.0   -7.3 -121.1   -5.6 118.2  42.5    0  0.0    0  0.0    0  0.0    0  0.0  4 15
  139 A 139    ARG R   T T 4     TS-    0    0  160.4  -68.4 -173.6 -134.3  96.3  58.8    0  0.0    0  0.0    0  0.0    0  0.0  5 16
  140 A 140    ASN N     t <     T -    0    0   63.8   88.2  178.6 -151.0  19.2  14.6  136 -0.6  142 -0.7    0  0.0    0  0.0  8 18
  141 A 141    ARG R               +    0    0  -94.2  113.2  179.7  162.6  31.5 137.7    0  0.0    0  0.0    0  0.0    0  0.0  7 28
  142 A 142    ASN N               +    0    0 -117.4   22.9  178.0   96.8  53.7  97.3  140 -0.7    0  0.0    0  0.0    0  0.0  6 26
  143 A 143    ASP D               +    0    0  -85.6  -42.0  178.6   76.9  64.9  25.1    0  0.0  145 -1.1    0  0.0    0  0.0  4 32
  144 A 144    TYR Y               +    0    0  -73.4  104.4 -179.4  173.1  57.5 120.2    0  0.0    0  0.0    0  0.0    0  0.0  9 38
  145 A 145    SER S               -    0    0  -75.1  -56.8 -179.7  -13.6  61.8  14.5  143 -1.1    0  0.0    0  0.0    0  0.0  6 25
  146 A 146    ASP D   S h >   > TS-    0    0 -137.3 -175.9 -179.0  -89.9  76.3 141.5    0  0.0  150 -0.9    0  0.0  149 -0.5  7 25
  147 A 147    GLU E   H H >   3 TS+    0    0  -75.3  -16.1  179.7   68.1 116.2  47.2    0  0.0  151 -2.2    0  0.0    0  0.0 10 30
  148 A 148    SER S   H H >   3 TS+    0    0  -72.8  -31.8  177.1   48.3 100.3  30.9    0  0.0  152 -1.7    0  0.0    0  0.0  6 21
  149 A 149    VAL V   H H >   < TS+    0    0  -73.0  -31.6  176.8   53.0 109.8  34.8  146 -0.5  153 -1.9    0  0.0    0  0.0  9 35
  150 A 150    ILE I   H H X     TS+    0    0  -65.6  -47.8  177.4   49.9 109.2  18.4  146 -0.9  154 -2.3    0  0.0    0  0.0 10 40
  151 A 151    LEU L   H H X     TS+    0    0  -54.7  -48.2 -179.9   48.1 111.1  27.7  147 -2.2  155 -2.2    0  0.0    0  0.0  9 35
  152 A 152    GLU E   H H X     TS+    0    0  -62.8  -43.0 -179.7   50.9 110.5  27.6  148 -1.7  156 -2.6    0  0.0    0  0.0  8 35
  153 A 153    THR T   H H X     TS+    0    0  -64.0  -42.5  176.8   52.4 109.6  26.5  149 -1.9  157 -2.2    0  0.0    0  0.0 11 45
  154 A 154    ILE I   H H X     TS+    0    0  -59.4  -49.3  179.8   46.0 110.7  21.3  150 -2.3  158 -2.1    0  0.0    0  0.0 10 50
  155 A 155    ASN N   H H X     TS+    0    0  -63.4  -43.9 -178.6   50.4 111.9  22.5  151 -2.2  159 -2.9    0  0.0    0  0.0  8 39
  156 A 156    PHE F   H H X     TS+    0    0  -62.7  -37.7  178.0   52.2 109.7  22.4  152 -2.6  160 -3.1    0  0.0    0  0.0 10 39
  157 A 157    ALA A   H H X     TS+    0    0  -62.2  -40.1  179.8   46.5 111.4  23.8  153 -2.2  161 -2.5    0  0.0    0  0.0 13 49
  158 A 158    ARG R   H H X     TS+    0    0  -69.2  -43.2 -178.6   50.1 112.5  22.6  154 -2.1  162 -2.4    0  0.0    0  0.0 10 46
  159 A 159    TYR Y   H H X     TS+    0    0  -58.9  -50.2 -178.6   40.8 116.6  23.3  155 -2.9  163 -2.0    0  0.0    0  0.0  8 39
  160 A 160    ALA A   H H X     TS+    0    0  -68.1  -40.2 -179.8   50.9 113.7  36.8  156 -3.1  164 -2.6    0  0.0    0  0.0 12 48
  161 A 161    ALA A   H H X     TS+    0    0  -65.1  -41.4  179.0   49.5 111.6  20.0  157 -2.5  165 -2.7    0  0.0    0  0.0 13 54
  162 A 162    THR T   H H X     TS+    0    0  -64.1  -42.5 -179.7   49.4 111.0  22.7  158 -2.4  166 -3.0    0  0.0    0  0.0  9 42
  163 A 163    ALA A   H H X     TS+    0    0  -63.6  -42.8  178.3   46.9 112.6  19.6  159 -2.0  167 -1.7    0  0.0    0  0.0  8 38
  164 A 164    SER S   H H X     TS+    0    0  -63.7  -38.6  179.7   52.7 111.0  26.7  160 -2.6  168 -1.8    0  0.0    0  0.0 12 45
  165 A 165    ALA A   H H X    >TS+    0    0  -64.3  -41.7  177.5   54.0 106.1  22.2  161 -2.7  169 -2.8    0  0.0  170 -1.6 12 44
  166 A 166    VAL V   H H <    5TS+    0    0  -61.5  -35.0 -179.2   49.8 108.7  29.3  162 -3.0    0  0.0    0  0.0    0  0.0  8 33
  167 A 167    LEU L   H H <    5TS+    0    0  -73.9  -35.4 -178.7   29.9 122.2  30.5  163 -1.7    0  0.0    0  0.0    0  0.0  9 30
  168 A 168    ALA A   H H <    5TS-    0    0  -95.4  -14.6 -176.2 -119.2 104.1  53.1  164 -1.8    0  0.0    0  0.0    0  0.0 10 34
  169 A 169    GLY G   T h <    5T +    0    0   75.4   49.6  179.3  140.0  65.5  20.9  165 -2.8    0  0.0    0  0.0    0  0.0  8 31
  170 A 170    SER S     t       T -    0    0 -123.2  119.0  175.3 -165.4  50.6 148.2    0  0.0  184 -1.5    0  0.0    0  0.0  6 28
  182 A 182    PRO P   T h >   3 TS+    0    0  -65.2   -3.4 -178.6   74.4  85.3  60.8    0  0.0  186 -1.7    0  0.0    0  0.0 12 34
  183 A 183    SER S   H H >   3 TS+    0    0  -84.9  -27.8  178.7   66.7  81.9  37.8    0  0.0  187 -3.2    0  0.0    0  0.0  9 33
  184 A 184    ILE I   H H >   < TS+    0    0  -55.6  -49.0  176.9   39.0 109.6   9.6  181 -1.5  188 -2.1    0  0.0    0  0.0  9 34
  185 A 185    ALA A   H H >     TS+    0    0  -62.5  -48.1 -177.8   50.5 115.6  24.3    0  0.0  189 -2.8    0  0.0    0  0.0 12 45
  186 A 186    ALA A   H H X     TS+    0    0  -64.9  -30.9  179.8   51.9 108.9  28.9  182 -1.7  190 -2.5    0  0.0    0  0.0 12 55
  187 A 187    ASN N   H H X     TS+    0    0  -69.3  -40.2  178.8   49.2 110.4  14.1  183 -3.2  191 -3.7    0  0.0    0  0.0  9 40
  188 A 188    GLU E   H H X     TS+    0    0  -62.1  -40.3  179.5   51.2 109.8  26.3  184 -2.1  192 -2.4    0  0.0    0  0.0  9 42
  189 A 189    ILE I   H H X     TS+    0    0  -59.0  -49.4  179.0   43.3 114.9  10.7  185 -2.8  193 -0.7    0  0.0    0  0.0 11 58
  190 A 190    ILE I   H H X   > TS+    0    0  -61.0  -50.7  177.4   52.5 111.5  20.4  186 -2.5  193 -1.6    0  0.0  194 -0.7  9 52
  191 A 191    ARG R   H H <   > TS+    0    0  -49.0  -52.0 -177.8   55.0 107.0  16.3  187 -3.7  194 -1.8    0  0.0    0  0.0  7 33
  192 A 192    SER S   H H <   3 TS+    0    0  -57.2  -21.3 -179.5   58.8 101.2  46.9  188 -2.4    0  0.0    0  0.0    0  0.0  7 36
  193 A 193    MET M   H H <   < T      0    0  -87.7  -14.6  178.2  999.9 999.9  46.6  190 -1.6    0  0.0  189 -0.7    0  0.0  9 41
  194 A 194    LYS K     h <   < T      0    0  -59.5  999.9  999.9  999.9 999.9   9.9  191 -1.8    0  0.0  190 -0.7    0  0.0  4 28
 
 1nksA.pdb                                                   
 1NKS  KINASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand   EEEEEEE TTS HHHHHHHHHHHHHTTT  EEEEEHHHHHHHHHHTTTS SSHHHHTTS HHHHHHHHHHHHHHHHHHHHHT SSEEEEEE SEEEETT  Kabs/Sand
 chirality   ----++--++-+++++++++++++++-+-+-----+++++++++++-+--+-++++++--+++++++++++++++++++++-++-----+-----+-+-  chirality
     bends           SSS  SSSSSSSSSSSSSS        SSSSSSSSSSSSSS SSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS SS       S    SS  bends    
     turns          TTTTTTTTTTTTTTTTTTTTTT     TTTTTTTTTTTTTTT  TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT             TTT  turns    
   5-turns                          >5555<              >5555<                                                    5-turns  
   3-turns          >33<          >3>X3<<               >>3<<      >>3<<                 >33X33<             >33  3-turns  
  bridge-2     bbbbb                                                                              ccccc           bridge-2 
  bridge-1   aaaaaa                        ccccc                                                  aaaaaa  DDDD    bridge-1 
    sheets   AAAAAAA                       AAAAA                                                  AAAAAA  BBBB    sheets   
   4-turns              >>>>XXXXXXX<<<<        >>>>XXXX<<<<     >>44<<  >>>>XXXXXXXXXXXXXXX<<<<                   4-turns  
   summary   EEEEEEEeTTthHHHHHHHHHHHHHhTTteEEEEEHHHHHHHHHHhTTt ShHHHHhTthHHHHHHHHHHHHHHHHHHHHHhtSeEEEEEE eEEEETT  summary  
  sequence  MKIGIVTGIPGVGKSTVLAKVKEILDNQGINNKIINYGDFMLATALKLGYAKDRDEMRKLSVEKQKKLQIDAAKGIAEEARAGGEGYLFIDTHAVIRTPS  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                  author   
 Kabs/Sand  EEEESS HHHHHHH  SEEEEEE  HHHHHHHHHH TTT      SHHHHHHHHHHHHHHHHHHHHHHT EEEEEE  SS THHHHHHHHHHH   Kabs/Sand
 chirality  ----++-++++++---+----++--++++++++++++---++++--+++++++++++++++++++++-+---------++-+++++++++++    chirality
     bends  S   SS SSSSSSS  S        SSSSSSSSSS  SS      SSSSSSSSSSSSSSSSSSSSSSS          SS SSSSSSSSSSS    bends    
     turns  T     TTTTTTTTT         TTTTTTTTTTTTTTTT     TTTTTTTTTTTTTTTTTTTTTTTTT          TTTTTTTTTTTTTT  turns    
   5-turns                                                                  >5555<                          5-turns  
   3-turns  <     >33X>3<<          >33< >33<            >33<                               >33<     >>3<<  3-turns  
  bridge-2                   eeeeee                                                                         bridge-2 
  bridge-1  DDDD             bbbbb                                                eeeeee                    bridge-1 
    sheets  BBBB             AAAAAA                                               AAAAAA                    sheets   
   4-turns        >>4>X<4<<         >>>>>>>XXXXXXXXXXXXXXXX<<<<            >>>>XXXXX<<<<  4-turns  
   summary  EEEEeShHHHHHHHh eEEEEEE hHHHHHHHHHHhTTTt     hHHHHHHHHHHHHHHHHHHHHHHhtEEEEEEe SSthHHHHHHHHHHHh  summary  
  sequence  GYLPGLPSYVITEINPSVIFLLEADPKIILSRQKRDTTRNRNDYSDESVILETINFARYAATASAVLAGSTVKVIVNVEGDPSIAANEIIRSMK  sequence 
                   110       120       130       140       150       160       170       180       190