Secondary structure calculation program - copyright by David Keith Smith, 1989
 1iow-.pdb                                                   
 1IOW  LIGASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  306
             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     1    MET M                    0    0  999.9  139.7 -179.5  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  2 13
    2     2    THR T               +    0    0  -45.1  142.5  177.4   83.0 999.9  84.1    0  0.0    0  0.0    0  0.0    0  0.0  3 16
    3     3    ASP D     e         -    0    0  122.0   73.4 -178.4 -169.4  50.3  53.8    0  0.0   36 -0.5    0  0.0    0  0.0  8 29
    4     4    LYS K   E E  Aab    -   36   55  -91.3  129.7  179.3 -161.6   4.2 132.6   54 -0.8   56 -3.3    0  0.0   57 -1.0 11 34
    5     5    ILE I   E E  Aab    -   37   57 -109.9  129.9  178.6 -143.6  11.2 158.9   36 -2.3   38 -2.4    0  0.0    0  0.0 13 54
    6     6    ALA A   E E  Aab    -   38   58  -94.8  132.5  176.5 -157.4   5.9 145.8   57 -2.5   59 -2.9    0  0.0    8 -0.6 14 63
    7     7    VAL V   E E  Aab    -   39   59 -111.5  103.1 -179.3 -151.5  12.3 158.0   38 -3.0   40 -2.6    0  0.0    9 -0.6 15 65
    8     8    LEU L   E E  Aab    +   40   60  -78.4  115.6 -178.8  155.9  29.8 129.3   59 -1.8   61 -1.8    6 -0.6    0  0.0 14 72
    9     9    LEU L     e         +    0    0 -136.8  168.0  178.9   22.4  39.5 151.5   40 -2.2   11 -1.0    7 -0.6    0  0.0 16 55
   10    10    GLY G               +    0    0   83.3 -102.8 -179.1  163.0  61.4 132.2    0  0.0    0  0.0    0  0.0    0  0.0 14 47
   11    11    GLY G               -    0    0   80.5 -159.8 -177.0  -81.4  52.5 114.5    9 -1.0    0  0.0    0  0.0    0  0.0 12 43
   12    12    THR T   S S        S+    0    0 -128.7    1.2 -179.5  113.2  82.0  67.2    0  0.0    0  0.0    0  0.0    0  0.0  8 35
   13    13    SER S   S t     > TS-    0    0  -67.5  179.3  178.0  -95.1  86.2  92.4    0  0.0   16 -1.4    0  0.0    0  0.0  9 42
   14    14    ALA A   T T     3 TS+    0    0  -70.7   -7.9  179.8   61.7 126.0  56.2    0  0.0    0  0.0    0  0.0    0  0.0  7 41
   15    15    GLU E   T h >   > T +    0    0 -102.2   11.7  179.4  116.4  69.0  69.8    0  0.0   19 -1.9    0  0.0   18 -0.7 11 52
   16    16    ARG R   H H >   < TS+    0    0  -44.8  -55.5 -179.5   48.4  72.4  34.7   13 -1.4   20 -1.6    0  0.0    0  0.0 13 42
   17    17    GLU E   H H >   3 TS+    0    0  -59.4  -36.0  178.3   51.3 111.9  31.9    0  0.0   21 -1.3    0  0.0    0  0.0  7 42
   18    18    VAL V   H H >   < TS+    0    0  -66.3  -39.4 -179.1   52.0 108.7  28.5   15 -0.7   22 -1.6    0  0.0    0  0.0 11 48
   19    19    SER S   H H X     TS+    0    0  -68.6  -33.0  177.9   54.3 104.3  37.4   15 -1.9   23 -2.4    0  0.0    0  0.0 15 51
   20    20    LEU L   H H X     TS+    0    0  -69.1  -33.9  178.0   47.8 111.5  30.2   16 -1.6   24 -2.1    0  0.0    0  0.0 10 46
   21    21    ASN N   H H X     TS+    0    0  -75.4  -32.7  177.0   48.2 111.7  36.2   17 -1.3   25 -1.4    0  0.0    0  0.0 10 42
   22    22    SER S   H H X     TS+    0    0  -73.3  -38.5  179.4   49.7 113.0  27.1   18 -1.6   26 -2.3    0  0.0    0  0.0 13 55
   23    23    GLY G   H H X     TS+    0    0  -64.8  -45.7  179.2   52.8 106.7  25.1   19 -2.4   27 -2.6    0  0.0    0  0.0 16 55
   24    24    ALA A   H H X     TS+    0    0  -54.1  -46.3  179.6   47.6 112.7  21.2   20 -2.1   28 -1.8    0  0.0    0  0.0  8 42
   25    25    ALA A   H H X     TS+    0    0  -59.4  -52.9 -180.0   44.2 113.7  23.6   21 -1.4   29 -2.3    0  0.0    0  0.0 10 50
   26    26    VAL V   H H X     TS+    0    0  -64.8  -36.3  179.2   58.5 109.1  34.9   22 -2.3   30 -2.9    0  0.0    0  0.0 13 58
   27    27    LEU L   H H X     TS+    0    0  -61.1  -48.9  178.9   39.6 112.0  20.2   23 -2.6   31 -2.0    0  0.0    0  0.0 12 49
   28    28    ALA A   H H X     TS+    0    0  -67.2  -43.8  179.0   53.3 114.7  25.2   24 -1.8   32 -2.9    0  0.0    0  0.0  9 39
   29    29    GLY G   H H X     TS+    0    0  -56.4  -50.7  178.8   44.5 112.4  19.1   25 -2.3   33 -1.1    0  0.0    0  0.0 13 44
   30    30    LEU L   H H <    >TS+    0    0  -62.1  -42.0  179.8   46.8 115.5  28.4   26 -2.9   35 -2.7    0  0.0    0  0.0 14 46
   31    31    ARG R   H H <   >5TS+    0    0  -68.6  -37.6  178.7   56.2 107.7  27.9   27 -2.0   34 -2.0    0  0.0    0  0.0 10 33
   32    32    GLU E   H H <   35TS+    0    0  -62.8  -28.0 -179.8   52.3 107.5  37.1   28 -2.9    0  0.0    0  0.0    0  0.0  8 26
   33    33    GLY G   T h <   35TS-    0    0  -94.2   14.2  177.9  -95.6 129.6  82.1   29 -1.1    0  0.0    0  0.0    0  0.0  9 28
   34    34    GLY G   T T     <5TS+    0    0   89.5    4.4 -178.8  139.6  76.8  64.1   31 -2.0    0  0.0    0  0.0    0  0.0  6 26
   35    35    ILE I     t         > T -    0    0 -108.1  115.4  179.7 -150.1  15.3 157.9    0  0.0   45 -3.3    0  0.0   44 -2.1 10 45
   42    42    PRO P   T T 4   3 TS+    0    0  -59.1  -13.9  178.0   62.0  97.9  46.3    0  0.0    0  0.0    0  0.0    0  0.0 11 44
   43    43    LYS K   T T 4   3 TS+    0    0  -80.0  -21.0 -178.5   27.8 118.6  46.9    0  0.0    0  0.0    0  0.0    0  0.0  8 33
   44    44    GLU E   T T 4   < TS+    0    0 -104.7  -43.2 -177.7   44.3 125.1  40.3   41 -2.1    0  0.0    0  0.0    0  0.0  6 23
   45    45    VAL V   S t <     TS-    0    0 -112.9  145.4  177.8 -117.5  80.8 147.8   41 -3.3   47 -1.1    0  0.0    0  0.0  7 26
   46    46    ASP D     g     > T -    0    0  -79.2  100.4 -178.5 -164.5  24.4 132.1    0  0.0   49 -1.8    0  0.0    0  0.0  8 29
   47    47    VAL V   G G     > TS+    0    0  -64.7  -12.2  177.8   80.9  80.0  50.4   45 -1.1   50 -1.8    0  0.0    0  0.0  7 46
   48    48    THR T   G G     3 TS+    0    0  -70.6   -0.7  178.9   55.4  91.1  59.6    0  0.0    0  0.0    0  0.0    0  0.0  6 33
   49    49    GLN Q   G G >   < T +    0    0 -111.3    5.0 -179.1  111.0  69.5  72.6   46 -1.8   53 -1.2    0  0.0    0  0.0  7 32
   50    50    LEU L   T g 4   <>TS+    0    0  -49.1  -40.1 -179.6   46.0  82.2  31.8   47 -1.8   55 -1.3    0  0.0    0  0.0 10 42
   51    51    LYS K   T T 4   >5TS+    0    0  -72.3  -44.4  179.0   53.4 108.3  19.5    0  0.0   54 -1.8    0  0.0    0  0.0 10 35
   52    52    SER S   T T 4   35TS+    0    0  -64.7  -11.1 -179.6   62.9 104.4  48.1    0  0.0    0  0.0    0  0.0    0  0.0  6 24
   53    53    MET M   T T <   35TS-    0    0  -91.7  -11.2  178.6 -107.7 115.8  57.5   49 -1.2    0  0.0    0  0.0    0  0.0  6 31
   54    54    GLY G   T e     <5T +    0    0   98.2    7.5  179.3  149.9  63.1  56.5   51 -1.8    4 -0.8    0  0.0    0  0.0  8 29
   55    55    PHE F   E E  Ab     > TS-    0    0  108.5 -172.3 -179.3   -2.7 104.3 128.0    0  0.0   68 -2.8    0  0.0   67 -1.8 14 62
   65    65    ARG R   T T 4   3 TS+    0    0  -61.1  133.1 -179.8   32.0 124.7 110.7    0  0.0    0  0.0    0  0.0    0  0.0 10 52
   66    66    GLY G   T T 4   3 TS+    0    0  108.5  -29.9  179.0   37.6 129.0  91.9    0  0.0    0  0.0    0  0.0    0  0.0 12 46
   67    67    GLY G   T T 4   < TS+    0    0 -122.6  -27.7 -179.4   32.5 123.2  52.3   64 -1.8    0  0.0    0  0.0    0  0.0 13 65
   68    68    GLU E   S t <     TS+    0    0 -111.8    2.1 -175.0   79.7  99.6  68.3   64 -2.8    0  0.0    0  0.0    0  0.0 15 65
   69    69    ASP D   S S        S-    0    0  -95.9    3.2  179.0 -104.5 103.1  69.8    0  0.0    0  0.0    0  0.0    0  0.0 15 54
   70    70    GLY G   S h >     TS+    0    0   97.7  -17.1  179.9   96.5  99.4  79.7    0  0.0   74 -1.6    0  0.0    0  0.0 14 40
   71    71    THR T   H H >     TS+    0    0  -69.9  -50.5  178.6   43.0  89.6  14.8    0  0.0   75 -2.2    0  0.0    0  0.0 11 41
   72    72    LEU L   H H >     TS+    0    0  -60.8  -42.6  178.8   49.4 116.1  25.8    0  0.0   76 -2.1    0  0.0    0  0.0 10 58
   73    73    GLN Q   H H >     TS+    0    0  -67.3  -32.4  179.0   57.0 106.8  34.5    0  0.0   77 -1.5    0  0.0    0  0.0 12 53
   74    74    GLY G   H H X   > TS+    0    0  -61.8  -52.6  179.5   46.5 107.7  11.2   70 -1.6   78 -1.8    0  0.0   77 -0.6 10 34
   75    75    MET M   H H X   3 TS+    0    0  -54.8  -49.1  179.0   50.2 111.8  24.5   71 -2.2   79 -2.2    0  0.0    0  0.0  9 37
   76    76    LEU L   H H X   3>TS+    0    0  -61.9  -28.5  177.8   57.3 106.4  41.0   72 -2.1   81 -1.8    0  0.0   80 -0.9 11 46
   77    77    GLU E   H H <   <5TS+    0    0  -69.6  -41.7  179.9   41.0 111.6  24.4   73 -1.5    0  0.0   74 -0.6    0  0.0  9 35
   78    78    LEU L   H H <    5TS+    0    0  -76.5  -27.8  178.9   52.9 113.9  37.7   74 -1.8    0  0.0    0  0.0    0  0.0  7 25
   79    79    MET M   H H <    5TS-    0    0  -77.7  -19.8 -179.5 -123.5 111.4  46.5   75 -2.2    0  0.0    0  0.0    0  0.0  7 29
   80    80    GLY G   T h <    5T +    0    0   86.8   22.6 -179.2  143.0  59.1  49.0   76 -0.9    0  0.0    0  0.0    0  0.0  6 31
   81    81    LEU L     t           T -    0    0  -79.9 -163.8 -179.3  -78.7  44.9  84.9    0  0.0   91 -1.7    0  0.0    0  0.0 11 50
   88    88    VAL V   H H >     TS+    0    0  -66.7  -53.1  179.9   42.9 125.1  19.1    0  0.0   92 -2.3    0  0.0    0  0.0 11 43
   89    89    MET M   H H >     TS+    0    0  -59.6  -53.2 -179.8   44.9 117.1  18.2    0  0.0   93 -2.5    0  0.0    0  0.0  8 38
   90    90    ALA A   H H >     TS+    0    0  -60.9  -42.8  179.4   47.8 115.8  26.2    0  0.0   94 -2.6    0  0.0    0  0.0 12 50
   91    91    SER S   H H X     TS+    0    0  -65.9  -42.1  178.9   45.9 113.8  27.5   87 -1.7   95 -1.3    0  0.0    0  0.0 14 58
   92    92    ALA A   H H X     TS+    0    0  -66.7  -39.0  179.9   46.5 116.8  29.5   88 -2.3   96 -0.7    0  0.0    0  0.0 12 47
   93    93    LEU L   H H <   > TS+    0    0  -71.6  -40.8 -179.9   51.7 110.0  25.2   89 -2.5   96 -0.5    0  0.0    0  0.0 11 51
   94    94    SER S   H H <   3 TS+    0    0  -67.6  -29.7  178.6   59.1 103.5  40.6   90 -2.6    0  0.0    0  0.0    0  0.0 15 57
   95    95    MET M   H H <   3 TS+    0    0  -68.5  -31.5 -178.4   70.9  95.0  37.7   91 -1.3   97 -0.9    0  0.0    0  0.0 17 64
   96    96    ASP D     h X   < T -    0    0  -94.3  104.9  180.0 -171.6  61.9 141.2   92 -0.7  100 -2.4   93 -0.5    0  0.0 10 52
   97    97    LYS K   H H >     TS+    0    0  -65.9  -30.6  178.0   55.1  85.6  39.0  146 -2.0  101 -1.2   95 -0.9    0  0.0 10 65
   98    98    LEU L   H H >     TS+    0    0  -68.4  -41.3  179.6   40.3 114.6  25.7    0  0.0  102 -1.6    0  0.0    0  0.0 10 49
   99    99    ARG R   H H >     TS+    0    0  -79.7  -29.6  174.9   55.5 110.4  35.1    0  0.0  103 -1.9    0  0.0    0  0.0  9 48
  100   100    SER S   H H X     TS+    0    0  -66.6  -33.2  179.9   51.0 110.6  29.5   96 -2.4  104 -2.6    0  0.0    0  0.0 13 59
  101   101    LYS K   H H X     TS+    0    0  -69.1  -47.5  179.6   47.9 107.5  27.1   97 -1.2  105 -3.0    0  0.0    0  0.0  9 51
  102   102    LEU L   H H X     TS+    0    0  -58.3  -48.5  179.7   46.5 116.1  20.7   98 -1.6  106 -2.6    0  0.0    0  0.0  8 36
  103   103    LEU L   H H X     TS+    0    0  -57.9  -55.8  179.8   45.9 115.0  18.0   99 -1.9  107 -1.6    0  0.0    0  0.0 10 38
  104   104    TRP W   H H <    >TS+    0    0  -56.3  -51.0  179.1   43.3 116.6  20.8  100 -2.6  109 -2.2    0  0.0    0  0.0 14 43
  105   105    GLN Q   H H <   >5TS+    0    0  -63.9  -38.4  179.0   55.5 111.3  29.9  101 -3.0  108 -1.4    0  0.0    0  0.0 10 33
  106   106    GLY G   H H <   35TS+    0    0  -64.0  -30.0  178.0   53.2 105.2  39.0  102 -2.6    0  0.0    0  0.0    0  0.0  7 23
  107   107    ALA A   T h <   35TS-    0    0  -82.8   -1.1 -179.3 -105.1 125.2  68.0  103 -1.6    0  0.0    0  0.0    0  0.0  7 25
  108   108    GLY G   T T     <5TS+    0    0   90.6   -0.5 -178.9  145.1  73.1  64.8  105 -1.4    0  0.0    0  0.0    0  0.0  6 27
  109   109    LEU L     t      BC   T -  176    0 -107.3  154.5 -180.0 -116.1  28.6 144.5    0  0.0  122 -1.7    0  0.0    0  0.0  9 38
  119   119    ARG R   H H >     TS+    0    0  -54.7  -42.1  179.3   57.7 115.1  22.6  175 -2.3  123 -2.5    0  0.0    0  0.0 10 36
  120   120    ALA A   H H >     TS+    0    0  -54.2  -49.3  179.1   48.3 104.8  25.4    0  0.0  124 -2.1    0  0.0    0  0.0  7 22
  121   121    GLU E   H H >     TS+    0    0  -60.4  -33.9 -179.2   52.0 112.8  30.6    0  0.0  125 -0.8    0  0.0    0  0.0  9 28
  122   122    PHE F   H H <     TS+    0    0  -68.9  -44.2 -178.9   47.0 109.1  24.3  118 -1.7    0  0.0    0  0.0    0  0.0  9 36
  123   123    GLU E   H H <     TS+    0    0  -66.4  -36.3 -178.6   52.3 111.4  33.9  119 -2.5    0  0.0    0  0.0    0  0.0  6 26
  124   124    LYS K   H H <     TS-    0    0  -75.8  -18.0 -179.6  -94.3 124.4  49.9  120 -2.1    0  0.0    0  0.0    0  0.0  6 19
  125   125    GLY G     h <     T -    0    0  109.5  134.4 -179.1  -85.0  38.0  84.8  121 -0.8  127 -1.1    0  0.0    0  0.0  6 21
  126   126    LEU L               -    0    0  -77.0  102.0  179.7 -127.3  42.1 128.5    0  0.0  128 -1.5    0  0.0    0  0.0  9 32
  127   127    SER S     t     > T -    0    0  -51.7   84.6  179.6 -119.9  31.8 107.2  125 -1.1  130 -2.4    0  0.0  129 -1.7  6 22
  128   128    ASP D   T h >   3 TS+    0    0    0.9  -34.8  178.0   64.6 113.0  70.4  126 -1.5  132 -0.8    0  0.0    0  0.0  6 21
  129   129    LYS K   H H >   3 TS+    0    0  -76.5  -10.5  177.7   68.3  91.7  58.3  127 -1.7  133 -1.1    0  0.0    0  0.0  7 19
  130   130    GLN Q   H H >   X TS+    0    0  -68.3  -46.8  180.0   46.0 100.1  19.9  127 -2.4  134 -1.6    0  0.0  133 -0.7  8 32
  131   131    LEU L   H H >   3 TS+    0    0  -65.5  -30.2  179.4   62.6 105.0  37.9    0  0.0  135 -2.9    0  0.0    0  0.0  9 37
  132   132    ALA A   H H X   3 TS+    0    0  -66.5  -33.3  179.4   43.7 106.2  33.3  128 -0.8  136 -0.8    0  0.0    0  0.0  8 24
  133   133    GLU E   H H <   < TS+    0    0  -80.7  -29.3  178.5   49.6 115.4  32.5  129 -1.1    0  0.0  130 -0.7    0  0.0  9 27
  134   134    ILE I   H H <   > TS+    0    0  -74.6  -35.6  179.7   51.4 108.5  33.4  130 -1.6  137 -1.0    0  0.0    0  0.0 11 42
  135   135    SER S   H H <   > TS+    0    0  -73.3  -21.8 -179.3   67.6  98.3  38.5  131 -2.9  138 -1.1    0  0.0    0  0.0  9 34
  136   136    ALA A   T h <   3 TS+    0    0  -71.3  -14.2  179.1   67.1  88.7  52.9  132 -0.8    0  0.0    0  0.0    0  0.0  6 27
  137   137    LEU L   T T     < TS-    0    0  -74.1  -28.0 -177.4 -130.2 106.5  37.3  134 -1.0    0  0.0    0  0.0    0  0.0 11 33
  138   138    GLY G     t     < T -    0    0   95.1  169.9  177.7  -41.3  39.1 110.5  135 -1.1    0  0.0    0  0.0    0  0.0  8 33
  139   139    LEU L   S S        S+    0    0 -120.3  151.4   -0.5   40.1 104.3 153.4    0  0.0    0  0.0    0  0.0    0  0.0 11 34
  140   140    PRO P   S e        S+    0    0  -77.0  178.8 -179.9  178.1  72.2  46.5    0  0.0  182 -1.4    0  0.0    0  0.0 10 40
  141   141    VAL V   E E  BDE    -  157  181 -141.7  162.0  179.0 -126.0  23.0 153.5  157 -1.7  157 -2.3    0  0.0    0  0.0 13 48
  142   142    ILE I   E E  BDE    -  156  180 -120.1  134.0 -178.2 -157.8  13.7 166.2  180 -2.8  180 -2.9    0  0.0    0  0.0 13 58
  143   143    VAL V   E E  BDE    +  155  179 -108.5  128.7 -179.3  166.0  21.2 155.3  155 -2.4  155 -1.4    0  0.0    0  0.0 15 64
  144   144    LYS K   E E  B E    -    0  178 -145.9  147.6  179.0 -110.5  39.5 175.4  178 -2.3  178 -2.2    0  0.0    0  0.0 12 58
  145   145    PRO P   E E  B E> T -    0  177  -70.5  149.5 -179.1 -128.6  32.9 121.3    0  0.0  148 -0.7    0  0.0    0  0.0 16 55
  146   146    SER S   T e     3 TS+    0    0  -67.5  -41.1 -176.9   38.1  97.3  24.0  176 -2.1   97 -2.0    0  0.0    0  0.0 12 55
  147   147    ARG R   T T     3 TS+    0    0 -112.8   54.1  178.5   97.7  93.5 107.7    0  0.0    0  0.0    0  0.0    0  0.0 10 56
  148   148    GLU E     t     < T -    0    0 -126.5  179.0  178.1 -163.0  43.7 131.6  145 -0.7    0  0.0    0  0.0    0  0.0 13 58
  149   149    GLY G     t     > T +    0    0 -149.0  179.4  178.9   52.8  64.5 151.6    0  0.0  152 -1.7    0  0.0    0  0.0  8 66
  150   150    SER S   T T     3 TS-    0    0   56.1   32.2 -179.2  -71.6 123.0  38.0    0  0.0    0  0.0    0  0.0    0  0.0  8 58
  151   151    SER S   T T     > TS+    0    0   55.3   27.6  179.7  164.1  85.1  41.4    0  0.0  154 -0.7    0  0.0    0  0.0  9 53
  152   152    VAL V   T T     < T +    0    0  -77.8  132.6  178.0    7.1  62.3 126.5  149 -1.7    0  0.0    0  0.0    0  0.0 10 45
  153   153    GLY G   T T     3 TS+    0    0   82.2   -7.3 -178.2  125.7 100.4  74.8    0  0.0    0  0.0    0  0.0    0  0.0 12 43
  154   154    MET M     t     < T +    0    0  -84.9  164.8  177.4  161.3  27.3 107.5  151 -0.7    0  0.0    0  0.0    0  0.0 12 50
  155   155    SER S   E E  BD     -  143    0 -173.6  159.1  179.6 -114.8  33.6 164.6  143 -1.4  143 -2.4    0  0.0    0  0.0  8 48
  156   156    LYS K   E E  BD     -  142    0 -104.6  136.2  178.3 -159.2  22.9 154.9    0  0.0  158 -0.5    0  0.0    0  0.0  9 44
  157   157    VAL V   E E  BD     -  141    0 -120.5  115.6  176.6 -165.2   4.1 165.6  141 -2.3  141 -1.7    0  0.0  159 -0.6 13 38
  158   158    VAL V   S S        S+    0    0  -96.4  120.8  179.9    1.7  70.5 159.8  156 -0.5    0  0.0    0  0.0    0  0.0  9 31
  159   159    ALA A   S g     > TS-    0    0   72.7  138.9 -178.3  -92.8  87.6  53.6  157 -0.6  162 -2.3    0  0.0    0  0.0  8 29
  160   160    GLU E   G G     > TS+    0    0  -50.4  -28.3  179.9   77.5 115.0  45.1    0  0.0  163 -1.4    0  0.0    0  0.0  8 34
  161   161    ASN N   G G     3 TS+    0    0  -57.5  -29.1 -178.5   48.6  94.4  41.1    0  0.0    0  0.0    0  0.0    0  0.0  6 25
  162   162    ALA A   G h >   < TS+    0    0  -91.9   -5.2 -177.0   95.7  83.1  56.9  159 -2.3  166 -1.3    0  0.0    0  0.0  9 27
  163   163    LEU L   H H >   < TS+    0    0  -57.0  -37.5 -177.8   61.6  73.6  33.7  160 -1.4  167 -2.5    0  0.0    0  0.0  9 50
  164   164    GLN Q   H H >     TS+    0    0  -57.9  -50.0 -178.8   44.2 105.3  22.2    0  0.0  168 -2.2    0  0.0    0  0.0  7 42
  165   165    ASP D   H H >     TS+    0    0  -63.5  -35.8  179.6   53.1 113.1  30.8    0  0.0  169 -1.5    0  0.0    0  0.0  7 32
  166   166    ALA A   H H X     TS+    0    0  -64.9  -49.0  179.6   46.0 110.4  20.0  162 -1.3  170 -2.1    0  0.0    0  0.0 13 47
  167   167    LEU L   H H X     TS+    0    0  -63.2  -36.5  179.7   57.0 108.8  29.1  163 -2.5  171 -2.5    0  0.0    0  0.0 10 49
  168   168    ARG R   H H <     TS+    0    0  -64.1  -34.8  178.6   46.1 108.9  32.1  164 -2.2    0  0.0    0  0.0    0  0.0  8 39
  169   169    LEU L   H H <   > TS+    0    0  -73.1  -44.2  179.5   49.5 112.4  25.8  165 -1.5  172 -1.2    0  0.0    0  0.0 10 37
  170   170    ALA A   H H X   > TS+    0    0  -63.0  -42.7 -179.8   57.5 105.0  23.6  166 -2.1  173 -2.1    0  0.0  174 -1.2 14 47
  171   171    PHE F   T h <   3 TS+    0    0  -68.7   -2.4  178.1   71.8  91.5  59.1  167 -2.5    0  0.0    0  0.0    0  0.0 13 40
  172   172    GLN Q   T T 4   < TS+    0    0  -81.7  -18.3 -177.8   35.3 108.3  51.8  169 -1.2    0  0.0    0  0.0    0  0.0  8 33
  173   173    HIS H   T T 4   < TS+    0    0 -109.1  -23.1  179.7    9.7 128.1  49.6  170 -2.1    0  0.0    0  0.0    0  0.0  9 40
  174   174    ASP D     t <     T -    0    0 -155.3  158.7  178.8 -132.3  54.8 172.1  170 -1.2    0  0.0    0  0.0    0  0.0 10 41
  175   175    GLU E   S e        S+    0    0  -89.6   -9.1  178.6   59.8  96.3  58.6    0  0.0  119 -2.3    0  0.0    0  0.0 10 36
  176   176    GLU E   E E  BC    S-  118    0 -123.3  129.3 -176.7 -174.8  70.1 173.0    0  0.0  146 -2.1    0  0.0    0  0.0 11 39
  177   177    VAL V   E E  BCE    -  117  145 -126.5  152.0  178.8 -148.5  14.6 152.5  117 -3.0  117 -2.3    0  0.0    0  0.0 17 55
  178   178    LEU L   E E  BCE    -  116  144 -118.9  144.0  177.4 -166.2   2.9 158.9  144 -2.2  144 -2.3    0  0.0    0  0.0 14 62
  179   179    ILE I   E E  BCE    -  115  143 -126.2  113.0  179.9 -177.5  24.1 175.7  115 -2.0  115 -2.2    0  0.0    0  0.0 13 64
  180   180    GLU E   E E  BCE    -  114  142 -123.6  154.0 -179.4  -92.1  33.1 156.8  142 -2.9  142 -2.8    0  0.0    0  0.0 12 57
  181   181    LYS K   E E  B E    -    0  141  -54.2  136.0  180.0 -113.1  47.7 105.4  113 -2.9    0  0.0    0  0.0    0  0.0 13 49
  182   182    TRP W     e         -    0    0  -76.8  122.5  179.5 -147.0  30.0 132.2  140 -1.4    0  0.0    0  0.0    0  0.0  8 47
  183   183    LEU L               -    0    0  -92.3  142.3 -178.6 -134.7   9.4 138.5    0  0.0    0  0.0    0  0.0    0  0.0  9 42
  184   184    SER S               +    0    0  -67.4  -30.3 -179.1  177.7  52.6  41.1    0  0.0    0  0.0    0  0.0    0  0.0  8 39
  185   185    GLY G               -    0    0   92.0 -177.5    0.2 -158.1  65.9 111.1  260 -2.4    0  0.0    0  0.0    0  0.0  7 40
  186   186    PRO P     e         -    0    0  -59.5  176.8 -178.3 -137.7  53.2  60.6    0  0.0  260 -2.4    0  0.0    0  0.0 10 44
  187   187    GLU E   E E  CFG    -  203  259 -116.1  146.4 -177.9 -173.8  21.7 154.4  203 -0.8  203 -2.0    0  0.0    0  0.0 11 53
  188   188    PHE F   E E  CFG    -  202  258 -137.7  162.7  177.8 -161.5  14.0 151.3  258 -3.7  258 -2.8    0  0.0    0  0.0 12 59
  189   189    THR T   E E  CFG    -  201  257 -143.2  142.6 -178.3 -164.5   6.6 169.5  201 -1.8  201 -2.0    0  0.0    0  0.0 13 66
  190   190    VAL V   E E  C G    -    0  256 -136.9  115.7 -179.3 -152.1   9.3 163.0  256 -2.3  256 -2.5    0  0.0    0  0.0 15 68
  191   191    ALA A   E E  C G    -    0  255  -89.1  148.8  179.7 -156.9   4.4 125.2    0  0.0  198 -2.4    0  0.0    0  0.0 14 66
  192   192    ILE I   E E  CHG    -  197  254 -125.2  140.5  179.0 -177.3  10.0 163.8  254 -2.9  254 -2.1    0  0.0    0  0.0 12 61
  193   193    LEU L   E E  CHG> T -  196  253 -139.6   95.6 -179.5  -49.8  66.7 148.8  196 -2.6  196 -1.3    0  0.0    0  0.0 11 56
  194   194    GLY G   T e     3 TS-    0    0   80.1 -126.3 -179.6  -17.8 122.0 127.5  252 -3.2    0  0.0    0  0.0    0  0.0  9 43
  195   195    GLU E   T T     3 TS+    0    0  -97.6    8.4 -178.5   86.7 122.7  74.2    0  0.0    0  0.0    0  0.0    0  0.0  5 33
  196   196    GLU E   E E  CH < T -  193    0 -118.5  141.1  178.3 -147.1  63.5 151.0  193 -1.3  193 -2.6    0  0.0  198 -0.5  6 39
  197   197    ILE I   E E  CH     -  192    0 -103.9  126.7 -178.3 -137.1  22.8 153.5    0  0.0    0  0.0    0  0.0    0  0.0 10 52
  198   198    LEU L     e         -    0    0  -76.5  162.6  179.7  -72.2  40.6 109.3  191 -2.4    0  0.0  196 -0.5    0  0.0 11 50
  199   199    PRO P               -    0    0  -58.8  142.1 -178.6 -100.6  61.2 107.6    0  0.0    0  0.0    0  0.0    0  0.0 12 50
  200   200    SER S               -    0    0  -62.4  153.9  178.9 -148.0  28.5  99.2    0  0.0    0  0.0    0  0.0    0  0.0 13 56
  201   201    ILE I   E E  CF     -  189    0 -126.1  135.8  176.4 -152.5   1.3 169.5  189 -2.0  189 -1.8    0  0.0  203 -0.5 14 52
  202   202    ARG R   E E  CFI    -  188  224 -108.0  125.7  179.7 -148.8  16.2 162.2  224 -2.2  224 -1.5    0  0.0    0  0.0 14 47
  203   203    ILE I   E E  CFI    -  187  223  -97.3  144.8  179.8 -170.8  12.4 138.3  187 -2.0  187 -0.8  201 -0.5    0  0.0 12 50
  204   204    GLN Q   E E  C I    -    0  222 -138.2   92.0  179.7 -168.0   8.1 144.2  222 -2.2  222 -2.5    0  0.0    0  0.0 10 40
  205   205    PRO P               -    0    0  -74.3  155.4  177.7 -136.1  22.4 114.2    0  0.0    0  0.0    0  0.0    0  0.0 11 35
  206   206    SER S   S S        S+    0    0  -81.3  -37.9 -179.7   39.8  84.1  26.6    0  0.0    0  0.0    0  0.0    0  0.0  8 24
  207   207    GLY G   S S        S-    0    0  -91.2 -150.5 -178.8  -54.1 114.0  78.3    0  0.0    0  0.0    0  0.0    0  0.0  5 26
  208   208    THR T   S S        S-    0    0  -56.4  -49.0  178.3  -18.8 110.4  32.1    0  0.0    0  0.0    0  0.0    0  0.0  5 32
  209   209    PHE F   S S        S-    0    0 -154.0  173.2 -178.7  -68.4  87.4 160.6    0  0.0  211 -2.3    0  0.0    0  0.0  6 48
  210   210    TYR Y   S S        S+    0    0  -69.6   74.9 -178.4  175.5  70.7 116.6    0  0.0    0  0.0    0  0.0    0  0.0 10 49
  211   211    ASP D     h >     T -    0    0  -79.8 -179.8 -178.4  -87.8  47.2  98.2  209 -2.3  215 -1.8    0  0.0    0  0.0  8 38
  212   212    TYR Y   H H >     TS+    0    0  -52.4  -51.6  179.5   46.1 128.5  25.7    0  0.0  216 -2.2    0  0.0    0  0.0 10 39
  213   213    GLU E   H H >    >TS+    0    0  -59.3  -42.1 -179.8   50.9 111.7  29.6    0  0.0  218 -2.6    0  0.0  217 -1.8  7 33
  214   214    ALA A   H H 4    5TS+    0    0  -69.9  -24.0 -179.9   47.9 113.3  41.9    0  0.0    0  0.0    0  0.0    0  0.0 13 35
  215   215    LYS K   H H <    5TS+    0    0  -83.5  -42.0 -175.8    5.3 133.5  26.9  211 -1.8    0  0.0    0  0.0    0  0.0 12 48
  216   216    PHE F   H H <    5TS+    0    0 -120.7  -17.3 -176.5   39.7 130.3  51.0  212 -2.2    0  0.0    0  0.0    0  0.0  8 43
  217   217    LEU L   T h <    5TS+    0    0 -110.7  -32.6 -178.6   69.8  91.4  35.5  213 -1.8    0  0.0    0  0.0    0  0.0  7 28
  218   218    SER S     t         > T -    0    0  -69.1  147.7 -179.7 -105.4  41.7 117.2    0  0.0  234 -2.7    0  0.0  233 -1.9  6 22
  231   231    ALA A   H H >   3 TS+    0    0  -42.0  -39.2  179.0   61.1 120.8  39.2    0  0.0  235 -2.9    0  0.0    0  0.0  6 16
  232   232    SER S   H H >   3 TS+    0    0  -57.8  -43.5  179.1   34.9 112.9  30.9    0  0.0  236 -1.5    0  0.0    0  0.0  7 18
  233   233    GLN Q   H H >   < TS+    0    0  -80.7  -40.1  178.7   55.3 115.4  29.9  230 -1.9  237 -2.4    0  0.0    0  0.0  8 33
  234   234    GLU E   H H X     TS+    0    0  -59.4  -36.3  178.7   48.1 110.7  24.1  230 -2.7  238 -1.5    0  0.0    0  0.0 11 37
  235   235    ALA A   H H X     TS+    0    0  -66.8  -47.8 -179.7   50.9 109.6  21.7  231 -2.9  239 -1.8    0  0.0    0  0.0  8 28
  236   236    ASN N   H H X     TS+    0    0  -60.0  -35.8  179.8   57.1 106.2  34.3  232 -1.5  240 -2.1    0  0.0    0  0.0  8 33
  237   237    LEU L   H H X     TS+    0    0  -61.0  -52.0 -179.2   44.5 108.5  18.7  233 -2.4  241 -2.8    0  0.0    0  0.0  9 50
  238   238    GLN Q   H H X     TS+    0    0  -61.5  -41.1  178.9   53.3 111.4  33.5  234 -1.5  242 -2.6    0  0.0    0  0.0 10 50
  239   239    ALA A   H H X     TS+    0    0  -60.0  -47.8 -179.3   43.2 114.0  17.7  235 -1.8  243 -2.1    0  0.0    0  0.0  8 37
  240   240    LEU L   H H X     TS+    0    0  -63.6  -50.2 -179.6   46.9 115.2  24.7  236 -2.1  244 -2.4    0  0.0    0  0.0  9 46
  241   241    VAL V   H H X     TS+    0    0  -61.8  -42.1  179.3   51.4 111.8  24.9  237 -2.8  245 -2.8    0  0.0    0  0.0 10 60
  242   242    LEU L   H H X     TS+    0    0  -64.3  -40.1  179.5   46.5 111.7  23.4  238 -2.6  246 -2.6    0  0.0    0  0.0  9 47
  243   243    LYS K   H H X     TS+    0    0  -67.6  -37.8  179.5   50.4 112.7  27.6  239 -2.1  247 -2.3    0  0.0    0  0.0  8 45
  244   244    ALA A   H H X     TS+    0    0  -62.7  -43.0 -179.9   49.6 111.7  22.8  240 -2.4  248 -1.6    0  0.0    0  0.0 11 56
  245   245    TRP W   H H X    >TS+    0    0  -62.6  -52.4 -178.2   41.6 114.5  17.8  241 -2.8  250 -1.4    0  0.0  249 -1.0 11 60
  246   246    THR T   H H <    5TS+    0    0  -70.0  -34.3  178.2   56.8 109.5  32.7  242 -2.6    0  0.0    0  0.0    0  0.0  8 47
  247   247    THR T   H H <    5TS+    0    0  -61.7  -38.5  178.9   48.2 109.3  25.1  243 -2.3    0  0.0    0  0.0    0  0.0  9 41
  248   248    LEU L   H H <    5TS-    0    0  -71.2  -26.7  179.0 -127.7 110.4  41.7  244 -1.6    0  0.0    0  0.0    0  0.0 12 53
  249   249    GLY G   T h <    5T +    0    0   86.9   15.7 -179.7  160.0  50.4  51.2  245 -1.0    0  0.0    0  0.0    0  0.0  9 41
  250   250    CYS C     t       T -    0    0 -133.4  167.4 -178.0  -88.6  37.1 150.2  265 -1.2  264 -2.9    0  0.0    0  0.0 12 31
  262   262    SER S   T T     3 TS+    0    0  -53.0  -14.7  178.1   61.5 122.0  56.6    0  0.0    0  0.0    0  0.0    0  0.0  7 22
  263   263    ASP D   T T     3 TS-    0    0  -94.5    6.8 -179.1 -114.3 116.4  70.9    0  0.0    0  0.0    0  0.0    0  0.0  4 19
  264   264    GLY G   S t     < TS+    0    0   73.6    7.9 -179.4  126.9  75.4  57.7  261 -2.9    0  0.0    0  0.0    0  0.0  6 26
  265   265    GLN Q     e         -    0    0  -98.6  156.7  178.9 -116.3  59.8 131.5    0  0.0  261 -1.2    0  0.0    0  0.0  7 36
  266   266    PHE F   E E  CJ     -  260    0  -89.6  144.3  178.9 -163.1  26.4 130.0    0  0.0    0  0.0    0  0.0    0  0.0 10 50
  267   267    TYR Y   E E  CJ     -  259    0 -132.9  130.8  179.6 -123.6  18.8 175.5  259 -1.9  259 -1.9    0  0.0    0  0.0 11 53
  268   268    LEU L   E E  CJb    +  258  111  -73.5  130.7  179.0  177.2  25.3 121.9  110 -2.9  112 -0.6    0  0.0    0  0.0 13 60
  269   269    LEU L   E E  C*     -    0    0  -95.6  -57.9  179.2  -55.7  57.5  30.4  257 -2.8    0  0.0    0  0.0    0  0.0 10 71
  270   270    GLU E   E E  CJ     -  257    0 -171.7  174.1  177.5 -112.9  41.2 166.1  257 -0.9  257 -2.6    0  0.0    0  0.0 10 71
  271   271    ALA A   E E  CJ     -  256    0 -124.6  136.8  179.2 -151.2  20.7 167.3    0  0.0    0  0.0    0  0.0    0  0.0 11 71
  272   272    ASN N   E E  CJ     -  255    0 -110.7  127.2 -178.4 -170.2   7.5 161.1  255 -2.5  255 -1.9    0  0.0    0  0.0 10 71
  273   273    THR T   S S        S+    0    0  -91.8  -13.7  176.9   32.4  84.9  54.6    0  0.0    0  0.0    0  0.0    0  0.0 14 72
  274   274    SER S   S S        S-    0    0 -144.0   77.8 -179.5 -163.5  87.6 133.9    0  0.0    0  0.0    0  0.0    0  0.0 12 81
  275   275    PRO P               -    0    0  -60.2  158.4  178.5  -89.8  27.0  97.2    0  0.0    0  0.0    0  0.0    0  0.0 10 71
  276   276    GLY G               -    0    0  -72.8  147.3  179.3 -173.4  31.8 114.9    0  0.0    0  0.0    0  0.0    0  0.0 12 70
  277   277    MET M               +    0    0 -127.1   17.7 -180.0  122.3  41.9  83.5    0  0.0    0  0.0    0  0.0    0  0.0 14 64
  278   278    THR T   S t     > TS-    0    0  -69.3 -174.2 -179.4  -89.2  83.7  88.4    0  0.0  281 -1.1    0  0.0    0  0.0  9 48
  279   279    SER S   T T     3 TS+    0    0  -75.7  -11.8 -179.4   50.0 130.2  50.8    0  0.0    0  0.0    0  0.0    0  0.0  5 40
  280   280    HIS H   T T     3 TS+    0    0 -103.6    0.4 -177.1  122.3  89.5  66.6    0  0.0    0  0.0    0  0.0    0  0.0  7 45
  281   281    SER S     h >   < T -    0    0  -78.9  148.6 -179.0 -144.3  57.3 110.1  278 -1.1  285 -0.8    0  0.0    0  0.0 11 64
  282   282    LEU L   H H >     TS+    0    0  -70.9  -44.6  179.2   60.9  93.1  33.8    0  0.0  286 -1.9    0  0.0    0  0.0 10 66
  283   283    VAL V   H H >     TS+    0    0  -55.9  -45.9  179.7   48.5 105.5  24.4    0  0.0  287 -2.1    0  0.0    0  0.0 11 65
  284   284    PRO P   H H >     TS+    0    0  -63.3  -30.6  179.6   55.7 109.1  30.2    0  0.0  288 -2.0    0  0.0    0  0.0 11 56
  285   285    MET M   H H X     TS+    0    0  -65.0  -46.6  179.4   46.0 108.6  29.2  281 -0.8  289 -1.6    0  0.0    0  0.0  9 49
  286   286    ALA A   H H X     TS+    0    0  -65.8  -45.1  179.1   50.5 111.6  25.7  282 -1.9  290 -1.8    0  0.0    0  0.0 14 51
  287   287    ALA A   H H <    >TS+    0    0  -60.8  -41.2  179.4   55.2 107.4  24.1  283 -2.1  292 -2.4    0  0.0    0  0.0 13 49
  288   288    ARG R   H H <   >5TS+    0    0  -56.1  -49.3  178.0   47.6 108.4  20.7  284 -2.0  291 -1.9    0  0.0    0  0.0 10 36
  289   289    GLN Q   H H <   35TS+    0    0  -61.4  -32.3  179.6   58.8 106.7  32.1  285 -1.6    0  0.0    0  0.0    0  0.0 10 33
  290   290    ALA A   T h <   35TS-    0    0  -81.2   11.6  178.3 -105.7 125.5  77.1  286 -1.8    0  0.0    0  0.0    0  0.0  8 32
  291   291    GLY G   T T     <5TS+    0    0   80.9    2.9 -179.8  129.2  77.4  64.2  288 -1.9    0  0.0    0  0.0    0  0.0  6 24
  292   292    MET M     t           T -    0    0  -90.0  163.0  178.7 -107.6  31.9 120.9    0  0.0  297 -2.2    0  0.0    0  0.0  8 32
  294   294    PHE F   H H >     TS+    0    0  -57.1  -38.3  179.3   51.4 122.9  28.9    0  0.0  298 -2.1    0  0.0    0  0.0 10 43
  295   295    SER S   H H >     TS+    0    0  -63.1  -49.4  180.0   50.7 108.0  20.3    0  0.0  299 -2.9    0  0.0    0  0.0 12 39
  296   296    GLN Q   H H >     TS+    0    0  -56.3  -46.7  179.2   48.9 110.5  26.1    0  0.0  300 -2.3    0  0.0    0  0.0 10 36
  297   297    LEU L   H H X     TS+    0    0  -59.3  -54.1  179.7   44.5 114.0  16.7  293 -2.2  301 -2.5    0  0.0    0  0.0 11 57
  298   298    VAL V   H H X     TS+    0    0  -57.6  -47.3  179.3   50.6 113.6  21.8  294 -2.1  302 -2.1    0  0.0    0  0.0 11 64
  299   299    VAL V   H H X     TS+    0    0  -58.6  -37.5  178.4   50.3 111.3  25.1  295 -2.9  303 -1.6    0  0.0    0  0.0 11 48
  300   300    ARG R   H H X     TS+    0    0  -67.5  -44.1  180.0   53.5 106.4  25.8  296 -2.3  304 -1.2    0  0.0    0  0.0  8 50
  301   301    ILE I   H H <     TS+    0    0  -58.8  -40.9  179.4   48.5 109.6  26.6  297 -2.5    0  0.0    0  0.0    0  0.0 14 60
  302   302    LEU L   H H <   > TS+    0    0  -67.8  -34.0  178.5   59.9 104.9  31.8  298 -2.1  305 -1.5    0  0.0    0  0.0 10 54
  303   303    GLU E   H H <   3 TS+    0    0  -61.5  -32.2  179.5   54.0 102.4  36.9  299 -1.6    0  0.0    0  0.0    0  0.0  6 38
  304   304    LEU L   T h <   3 TS+    0    0  -80.5   -4.9 -179.6  124.2  83.3  59.0  300 -1.2    0  0.0    0  0.0    0  0.0 10 36
  305   305    ALA A     t     < T      0    0  -61.1  142.2 -179.5  999.9 999.9 101.6  302 -1.5    0  0.0    0  0.0    0  0.0 12 43
  306   306    ASP D                    0    0 -159.5  999.9  999.9  999.9 999.9  73.6   83 -1.9    0  0.0    0  0.0    0  0.0  6 35
 
 1iow-.pdb                                                   
 1IOW  LIGASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand     EEEEE   SSTTHHHHHHHHHHHHHHHHHTT EEEEE TTTS GGGTTTTTEEEEEE   STTTSSSHHHHHHHHHT  BSS  HHHHHHHH HHHH  Kabs/Sand
 chirality   +-----+++-+-+++++++++++++++++++-+-+-----+++--++++++-+-+---++-+-++++-+++++++++-+---+---++++++++-++++  chirality
     bends             SSS SSSSSSSSSSSSSSSSSSS       SSSS SS SSSS  S       SSSSSSSSSSSSSSSS    SS  SSSSSSSS SSSS  bends    
     turns              TTTTTTTTTTTTTTTTTTTTTTT     TTTTTTTTTTTTTTT        TTTTT TTTTTTTTTTTT     TTTTTTTTTTTTTT  turns    
   5-turns                               >5555<              >5555<                    >5555<                     5-turns  
   3-turns              >3><3<            >33<      >33< >>3<<>33<         >33<      >33<               >33<      3-turns  
  bridge-2     bbbbb                                                 a                                            bridge-2 
  bridge-1     aaaaa                           aaaaa              b*bbbb                      a                   bridge-1 
    sheets     AAAAA                           AAAAA              AAAAAA                                          sheets   
   4-turns                >>>>XXXXXXXXXXX<<<<       >444<   >444<          >444< >>>>XXX<<<<      >>>>XX<<>>X  4-turns  
   summary    eEEEEEe  StThHHHHHHHHHHHHHHHHHhTtEEEEEtTTTtgGGGgTTTeEEEEEEe  tTTTtShHHHHHHHHHht BSS hHHHHHHHHhHHHH  summary  
  sequence  MTDKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQLKSMGFQKVFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRS  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  HHHHHHTT  B  EEEEEHHHHHH   THHHHHHHTT SSEEEEETT  TTTT EEESSGGGHHHHHHHHTTT SEEEEEE     EEEEEEETTEE     Kabs/Sand
 chirality  ++++++-+-+--+-----+++++----+++++++++--++--+--++-+-++++---+-++++++++++++++-+--------+----------+-----  chirality
     bends  SSSSSSSS          SSSSSS   SSSSSSSSSS SS     SS  SS S    SSSSSSSSSSSSSSSS SS                 SS       bends    
     turns  TTTTTTTTT        TTTTTTTT TTTTTTTTTTTT      TTTTTTTTTT    TTTTTTTTTTTTTTTT                  TTTT      turns    
   5-turns     >5555<                                                                                             5-turns  
   3-turns      >33<                  >33X33<>>3<<      >33<>3><3<    >>3<<     >>3<<                   >33<      3-turns  
  bridge-2                                          EEEEE                               EEEEE     GGGGGGG         bridge-2 
  bridge-1            b  CCCCC                      DDD           DDD                  CCCCC      FFF  HH  HH     bridge-1 
    sheets               BBBBB                      BBBBB         BBB                  BBBBBB     CCCCCCC  CC     sheets   
   4-turns  XXX<<<<          >>>><<<<  >>>>X<<<<                         >>>>XX<5555<                          >5555<                                    >5555<          5-turns  
   3-turns                               >33<                           >33<             >33<      >33<           3-turns  
  bridge-2   III                                                  JJJJJJ       b                                  bridge-2 
  bridge-1  FFF                  III                            GGGGGGG      JJJ*JJJ                              bridge-1 
    sheets  CCCC                 CCC                            CCCCCCCC     CCCCCCC                              sheets   
   4-turns            >>>4<<<            >>>>XXXXXXXXXXXX<<<<                               >>>>XX<<<<  >>>>XXXX  4-turns  
   summary  EEEE SSSSShHHHHHhtS  EEESS   hHHHHHHHHHHHHHHHHHHht eEEEEEEEEeTTteEEEEEEESS   tTThHHHHHHHHhTthHHHHHHH  summary  
  sequence  IRIQPSGTFYDYEAKFLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVR  sequence 
                   210       220       230       240       250       260       270       280       290       300
 
    author          author   
 Kabs/Sand  HHHT    Kabs/Sand
 chirality  ++++    chirality
     bends  SSSS    bends    
     turns  TTTTT   turns    
   5-turns          5-turns  
   3-turns   >33<   3-turns  
  bridge-2          bridge-2 
  bridge-1          bridge-1 
    sheets          sheets   
   4-turns  <<<<    4-turns  
   summary  HHHht   summary  
  sequence  ILELAD  sequence