Secondary structure calculation program - copyright by David Keith Smith, 1989
 1df7A.pdb                                                   
 1DF7  OXIDOREDUCTASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  159
             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     e              0    0  999.9  118.8  176.6  999.9 999.9 999.9    0  0.0   91 -2.5    0  0.0    0  0.0  8 33
    2 A   2    VAL V   E E  Aa     -   91    0 -111.6  124.0  177.3 -177.0 999.9 162.9    0  0.0  108 -2.4    0  0.0  109 -1.1 13 45
    3 A   3    GLY G   E E  Aab    -   92  109 -119.0  156.2  176.5 -143.2  17.5 150.9   91 -3.3   93 -3.1    0  0.0    0  0.0 13 56
    4 A   4    LEU L   E E  Aab    -   93  110 -114.4  139.9  176.9 -171.4  15.5 162.7  109 -2.3  111 -2.2    0  0.0    0  0.0 15 66
    5 A   5    ILE I   E E  A b    +    0  111 -132.5  128.3 -180.0  144.5  18.7 176.4   93 -2.3    0  0.0    0  0.0    0  0.0 12 66
    6 A   6    TRP W   E E  A b    -    0  112 -154.6  164.5  177.4 -132.0  39.8 170.2  111 -1.9  113 -1.9    0  0.0    0  0.0 11 68
    7 A   7    ALA A   E E  A b    -    0  113 -121.8  126.1  179.0 -179.2  32.8 169.8    0  0.0    0  0.0    0  0.0    0  0.0 10 63
    8 A   8    GLN Q   E E  A b    -    0  114 -129.6  150.9  172.9 -119.6  30.5 163.1  113 -3.0  115 -3.2    0  0.0    0  0.0 14 56
    9 A   9    ALA A   E E  A b> T -    0  115  -71.8  161.2  179.3  -99.7  48.3 114.8   13 -2.5   12 -2.2    0  0.0    0  0.0 13 43
   10 A  10    THR T   T e     3 TS+    0    0  -54.2  -35.1  179.3   61.2 124.8  27.3  115 -1.4    0  0.0  117 -0.5    0  0.0 11 38
   11 A  11    SER S   T T     3 TS-    0    0  -66.8  -13.4 -177.3 -104.0 121.9  53.0    0  0.0    0  0.0    0  0.0    0  0.0  9 33
   12 A  12    GLY G   S e     < TS+    0    0  104.3   -9.4  178.7  142.1  73.7  74.0    9 -2.2  128 -2.7    0  0.0    0  0.0 10 42
   13 A  13    VAL V   E E  BC     +  127    0  -68.3  129.2  176.9  162.3  14.2 118.4    0  0.0    9 -2.5    0  0.0    0  0.0 15 42
   14 A  14    ILE I   E E  B*     +    0    0 -119.3  -17.5 -178.8   19.0  64.1  58.2  126 -2.5    0  0.0    0  0.0    0  0.0 15 55
   15 A  15    GLY G   E E  BC     +  126    0 -157.6  150.1 -179.7  179.1  52.1 176.9  126 -1.6  126 -2.3    0  0.0    0  0.0 12 50
   16 A  16    ARG R   B B   A > TS-   19    0 -154.5  129.0  179.7   -0.7  76.0 162.0   19 -2.8   19 -1.7    0  0.0    0  0.0 11 34
   17 A  17    GLY G   T T     3 TS-    0    0   61.8   27.7  179.7  -57.9 129.9  37.4    0  0.0    0  0.0    0  0.0    0  0.0  5 24
   18 A  18    GLY G   T T     3 TS+    0    0   82.4    5.6 -179.0   83.8 121.5  60.7    0  0.0    0  0.0    0  0.0    0  0.0  7 29
   19 A  19    ASP D   B B   A < TS-   16    0 -133.1  170.1  176.7  -97.1  87.4 147.2   16 -1.7   16 -2.8    0  0.0    0  0.0  7 36
   20 A  20    ILE I               -    0    0  -89.5  119.2 -178.9 -135.9  38.4 143.8    0  0.0   22 -1.2    0  0.0    0  0.0  8 46
   21 A  21    PRO P   S S        S+    0    0  -73.3   39.9  177.0   44.3  75.9  96.6    0  0.0    0  0.0    0  0.0    0  0.0  7 42
   22 A  22    TRP W   S S        S-    0    0 -166.9  166.5  179.2 -120.6  75.0 164.0   20 -1.2    0  0.0    0  0.0    0  0.0  4 40
   23 A  23    ARG R               +    0    0 -121.2  122.7 -178.2  152.1  39.1 171.9    0  0.0    0  0.0    0  0.0    0  0.0  6 36
   24 A  24    LEU L     h >   > T +    0    0 -153.6   80.0 -179.7  178.9  14.5 126.2    0  0.0   27 -1.2    0  0.0   28 -1.1 10 37
   25 A  25    PRO P   H H >   3 TS+    0    0  -55.3  -32.6  178.7   63.5  81.0  34.7    0  0.0   29 -1.8    0  0.0    0  0.0  7 31
   26 A  26    GLU E   H H >   3 TS+    0    0  -63.4  -32.6  178.1   54.4  99.7  35.3    0  0.0   30 -1.8    0  0.0    0  0.0  7 32
   27 A  27    ASP D   H H >   < TS+    0    0  -69.9  -32.8  177.5   53.4 105.0  31.0   24 -1.2   31 -2.6    0  0.0    0  0.0  9 44
   28 A  28    GLN Q   H H X     TS+    0    0  -67.2  -34.8  178.8   50.9 107.4  26.8   24 -1.1   32 -2.4    0  0.0    0  0.0  8 40
   29 A  29    ALA A   H H X     TS+    0    0  -66.1  -43.9  179.1   48.3 111.1  23.4   25 -1.8   33 -2.6    0  0.0    0  0.0  8 29
   30 A  30    HIS H   H H X     TS+    0    0  -60.6  -45.7  179.1   53.0 109.5  24.0   26 -1.8   34 -2.5    0  0.0    0  0.0  8 35
   31 A  31    PHE F   H H X     TS+    0    0  -56.1  -46.9  179.6   47.5 110.6  19.9   27 -2.6   35 -2.9    0  0.0    0  0.0  9 47
   32 A  32    ARG R   H H X     TS+    0    0  -60.9  -47.0  179.1   52.7 110.1  22.5   28 -2.4   36 -2.7    0  0.0    0  0.0  8 38
   33 A  33    GLU E   H H <     TS+    0    0  -57.1  -43.2 -178.6   42.0 114.5  29.2   29 -2.6    0  0.0    0  0.0    0  0.0  7 31
   34 A  34    ILE I   H H <     TS+    0    0  -73.2  -45.6 -175.0   35.1 122.9  17.7   30 -2.5    0  0.0    0  0.0    0  0.0  6 41
   35 A  35    THR T   H H <   > TS+    0    0  -85.0  -21.9 -176.8  118.8  82.4  44.9   31 -2.9   38 -2.0    0  0.0    0  0.0 11 43
   36 A  36    MET M   T h <   3 TS+    0    0  -51.7  136.8 -179.8   14.6  82.7  95.8   32 -2.7    0  0.0    0  0.0    0  0.0  8 32
   37 A  37    GLY G   T T     3 TS+    0    0   78.4    4.1 -178.1   93.4 112.0  63.4   59 -1.7    0  0.0    0  0.0    0  0.0  7 25
   38 A  38    HIS H   S e     < TS-    0    0 -122.7  177.1  177.0  -90.5  82.9 127.4   35 -2.0   61 -1.5    0  0.0    0  0.0 11 36
   39 A  39    THR T   E E  Ade    -   61   91  -86.6  135.3  176.3 -159.7  39.7 136.4   90 -1.5   92 -2.3    0  0.0    0  0.0 13 46
   40 A  40    ILE I   E E  Ade    -   62   92 -117.6  140.3 -179.8 -159.0   2.2 163.4   61 -2.9   63 -2.2    0  0.0    0  0.0 13 62
   41 A  41    VAL V   E E  Ade    +   63   93 -119.1  132.0  179.4  165.0  18.3 165.9   92 -2.4   94 -2.7    0  0.0    0  0.0 15 70
   42 A  42    MET M   E E  Ad     -   64    0 -145.3  156.5  176.4 -107.5  36.6 169.9   63 -2.4   65 -2.7    0  0.0    0  0.0 15 64
   43 A  43    GLY G   E E >Ad   T -   65    0  -75.5  161.8 -178.0 -104.9  42.5 111.3   95 -2.1   47 -2.1    0  0.0    0  0.0 13 59
   44 A  44    ARG R   H H >     TS+    0    0  -59.4  -36.2  179.7   54.4 119.8  31.1   65 -1.3   48 -2.6    0  0.0    0  0.0  9 48
   45 A  45    ARG R   H H >     TS+    0    0  -66.3  -38.7  177.8   51.1 106.9  27.1    0  0.0   49 -1.9    0  0.0    0  0.0  8 46
   46 A  46    THR T   H H >     TS+    0    0  -63.1  -41.0  177.1   52.1 108.8  22.7    0  0.0   50 -0.6    0  0.0    0  0.0 10 53
   47 A  47    TRP W   H H <   > TS+    0    0  -56.4  -52.1  179.3   50.0 109.0  16.9   43 -2.1   50 -1.8    0  0.0    0  0.0 10 50
   48 A  48    ASP D   H H <   3 TS+    0    0  -54.7  -37.1 -179.5   57.2 106.5  31.9   44 -2.6    0  0.0    0  0.0    0  0.0  7 40
   49 A  49    SER S   H H <   3 TS+    0    0  -72.5  -14.8 -179.5  105.4  81.3  54.8   45 -1.9    0  0.0    0  0.0    0  0.0  8 33
   50 A  50    LEU L   S h <   < TS-    0    0  -67.7  137.0  178.8 -108.1  84.0 116.9   47 -1.8    0  0.0   46 -0.6    0  0.0  9 37
   51 A  51    PRO P     g     > T -    0    0  -63.7  145.4 -179.5 -116.0  30.1 117.8    0  0.0   54 -2.0    0  0.0    0  0.0  7 23
   52 A  52    ALA A   G G     > TS+    0    0  -51.0  -34.0 -179.2   64.5 111.8  36.9    0  0.0   55 -1.4    0  0.0    0  0.0  6 19
   53 A  53    LYS K   G G     3 TS+    0    0  -68.6  -17.1  177.7   32.4 113.4  44.1    0  0.0    0  0.0    0  0.0    0  0.0  5 16
   54 A  54    VAL V   G G     < TS+    0    0 -128.4   34.0  177.9  135.5  85.2  95.8   51 -2.0    0  0.0    0  0.0    0  0.0  8 30
   55 A  55    ARG R   S g     < TS+    0    0 -123.4  104.2    0.1   29.7  80.6 160.0   52 -1.4    0  0.0    0  0.0    0  0.0 10 33
   56 A  56    PRO P   S S        S-    0    0  -73.6  161.3  178.3 -121.8 109.1  56.4    0  0.0    0  0.0    0  0.0    0  0.0 11 39
   57 A  57    LEU L     t     > T -    0    0  -71.2  125.3 -179.2 -115.5  36.1 126.2    0  0.0   60 -1.0    0  0.0    0  0.0  7 43
   58 A  58    PRO P   T T     3 TS+    0    0  -67.5  146.8  178.1   20.7  90.0 107.2    0  0.0    0  0.0    0  0.0    0  0.0  6 31
   59 A  59    GLY G   T T     3 TS+    0    0   77.2    9.7 -179.4   89.1 107.8  56.8    0  0.0   37 -1.7    0  0.0    0  0.0  7 26
   60 A  60    ARG R   S t     < TS-    0    0 -137.0  148.8  177.0 -114.4  82.3 163.0   57 -1.0   62 -0.9    0  0.0    0  0.0 11 36
   61 A  61    ARG R   E E  Ad     -   39    0  -84.3  110.4 -177.9 -147.2  38.9 143.1   38 -1.5   40 -2.9    0  0.0    0  0.0 10 40
   62 A  62    ASN N   E E  Ad     -   40    0  -86.0  127.0  179.0 -175.4  17.7 136.1   60 -0.9   77 -3.0    0  0.0    0  0.0 13 50
   63 A  63    VAL V   E E  Adf    -   41   77 -124.6  128.5 -177.1 -165.1   4.5 169.7   40 -2.2   42 -2.4    0  0.0    0  0.0 13 59
   64 A  64    VAL V   E E  Adf    -   42   78 -121.1  124.3  178.9 -144.1  10.8 164.5   77 -2.8   79 -2.4    0  0.0    0  0.0 15 55
   65 A  65    LEU L   E E  Adf    +   43   79  -86.5  131.7  178.2  155.8  32.3 139.6   42 -2.7   44 -1.3    0  0.0    0  0.0 14 51
   66 A  66    SER S     e         -    0    0 -153.0  148.1  177.9 -147.8  43.4 171.2   79 -2.4    0  0.0    0  0.0    0  0.0 11 36
   67 A  67    ARG R   S S        S+    0    0  -91.6   -8.7  179.8  109.2  71.0  57.6    0  0.0    0  0.0    0  0.0    0  0.0  6 27
   68 A  68    GLN Q   S t     > TS-    0    0  -77.4  131.2 -179.6 -127.6  73.2 125.2    0  0.0   71 -1.3    0  0.0    0  0.0  6 20
   69 A  69    ALA A   T T     3 TS+    0    0  -34.4  -76.1  180.0    5.5  98.4  34.1    0  0.0    0  0.0    0  0.0    0  0.0  4 15
   70 A  70    ASP D   T T     3 TS+    0    0 -116.8   66.7  177.0  174.4  80.6 132.3    0  0.0    0  0.0    0  0.0    0  0.0  4 18
   71 A  71    PHE F     t     < T -    0    0  -69.6  141.4  179.7 -130.5  30.1 128.8   68 -1.3   73 -0.6    0  0.0    0  0.0  7 25
   72 A  72    MET M               +    0    0 -106.0  118.0  179.4  158.6  39.6 151.6    0  0.0    0  0.0    0  0.0    0  0.0  5 26
   73 A  73    ALA A     t     > T -    0    0 -133.6   95.2 -178.6 -145.3  30.6 149.1   71 -0.6   76 -1.8    0  0.0    0  0.0  8 37
   74 A  74    SER S   T T     3 TS+    0    0  -66.6  127.3 -179.8   14.6  84.7 115.5    0  0.0    0  0.0    0  0.0    0  0.0  5 28
   75 A  75    GLY G   T T     3 TS+    0    0   88.0    7.4  179.8   89.2 115.1  57.3    0  0.0    0  0.0    0  0.0    0  0.0  7 31
   76 A  76    ALA A   S t     < TS-    0    0 -135.4  158.4  177.8 -117.5  77.7 155.9   73 -1.8   78 -0.6    0  0.0    0  0.0 10 40
   77 A  77    GLU E   E E  Af     -   63    0  -95.7  116.7  178.4 -150.8  27.0 151.4   62 -3.0   64 -2.8    0  0.0    0  0.0  9 44
   78 A  78    VAL V   E E  Af     +   64    0  -90.1  128.8  178.6  177.1  20.7 139.8   76 -0.6    0  0.0    0  0.0    0  0.0 11 39
   79 A  79    VAL V   E E  Af     -   65    0 -127.8  158.9 -177.2 -147.1  27.9 155.0   64 -2.4   66 -2.4    0  0.0    0  0.0 11 37
   80 A  80    GLY G   S S        S+    0    0 -108.4    2.0  179.7   36.2  76.6  66.9    0  0.0    0  0.0    0  0.0    0  0.0 10 31
   81 A  81    SER S   S h >     TS-    0    0 -149.7  160.5  179.9 -117.2  75.9 167.7    0  0.0   85 -1.3    0  0.0    0  0.0  9 32
   82 A  82    LEU L   H H >     TS+    0    0  -66.1  -38.4  179.0   61.6 112.2  30.6    0  0.0   86 -3.1    0  0.0    0  0.0 10 44
   83 A  83    GLU E   H H 4     TS+    0    0  -55.9  -42.7  179.8   43.4 107.0  27.5    0  0.0    0  0.0    0  0.0    0  0.0  6 32
   84 A  84    GLU E   H H 4   > TS+    0    0  -73.2  -29.2 -179.7   49.3 117.1  37.7    0  0.0   87 -0.5    0  0.0    0  0.0  8 33
   85 A  85    ALA A   H H <   > TS+    0    0  -76.2  -41.5 -176.6   52.1 107.0  27.9   81 -1.3   88 -0.5    0  0.0    0  0.0 13 46
   86 A  86    LEU L   T h <   3 TS+    0    0  -91.0   32.0 -178.1  109.2  73.4  89.4   82 -3.1    0  0.0    0  0.0    0  0.0  9 45
   87 A  87    THR T   T T     < T +    0    0  -78.5  -30.2  179.9   93.3  52.1  37.3   84 -0.5    0  0.0    0  0.0    0  0.0  7 32
   88 A  88    SER S   S t     < TS-    0    0  -68.1  143.0  179.2 -130.6  76.3 111.8   85 -0.5    0  0.0    0  0.0    0  0.0  7 34
   89 A  89    PRO P   S S        S+    0    0  -62.1  -28.1  178.1   38.3 103.0  46.7    0  0.0    0  0.0    0  0.0    0  0.0  6 28
   90 A  90    GLU E   S e        S+    0    0 -131.5   88.5 -179.4  162.8  80.9 142.2    0  0.0   39 -1.5    0  0.0    0  0.0  9 34
   91 A  91    THR T   E E  Aae    -    2   39 -112.2  134.6  177.1 -160.8  23.2 157.3    1 -2.5    3 -3.3    0  0.0   93 -0.5 14 51
   92 A  92    TRP W   E E  Aae    -    3   40 -114.8  120.2  177.7 -149.1  11.1 165.2   39 -2.3   41 -2.4    0  0.0   94 -0.6 13 59
   93 A  93    VAL V   E E  Aae    -    4   41  -86.8  120.2 -174.4 -175.3  15.3 144.0    3 -3.1    5 -2.3   91 -0.5    0  0.0 14 65
   94 A  94    ILE I     e         -    0    0 -110.1   14.9  171.4 -168.9  38.2  77.5   41 -2.7    0  0.0   92 -0.6    0  0.0 11 73
   95 A  95    GLY G               -    0    0  134.1 -179.4   -6.9 -132.7  53.9 125.1    0  0.0   43 -2.1    0  0.0    0  0.0 14 62
   96 A  96    GLY G     h >     T -    0    0  -99.4 -142.0  179.7 -101.2  53.0  66.0    0  0.0  100 -2.6    0  0.0    0  0.0 11 53
   97 A  97    GLY G   H H >     TS+    0    0  -53.1  -46.0 -179.9   45.7 120.6  25.5    0  0.0  101 -1.7    0  0.0    0  0.0 12 51
   98 A  98    GLN Q   H H >     TS+    0    0  -64.4  -48.6 -177.9   46.2 114.6  23.7    0  0.0  102 -2.2    0  0.0    0  0.0  9 43
   99 A  99    VAL V   H H >     TS+    0    0  -66.9  -34.1  176.8   54.4 108.9  34.2    0  0.0  103 -2.8    0  0.0    0  0.0 11 52
  100 A 100    TYR Y   H H X     TS+    0    0  -62.6  -43.1  180.0   48.2 110.6  23.7   96 -2.6  104 -2.1    0  0.0    0  0.0 14 53
  101 A 101    ALA A   H H <     TS+    0    0  -61.4  -45.8 -179.5   45.6 114.6  21.3   97 -1.7    0  0.0    0  0.0    0  0.0  8 42
  102 A 102    LEU L   H H <     TS+    0    0  -63.6  -46.1 -176.3   40.1 119.2  25.1   98 -2.2    0  0.0    0  0.0    0  0.0  8 42
  103 A 103    ALA A   H H X   > TS+    0    0  -82.3  -19.7 -177.5   89.9  88.0  48.3   99 -2.8  106 -1.9    0  0.0  107 -0.7 11 48
  104 A 104    LEU L   G h <   > TS+    0    0  -47.2  -49.6 -179.7   56.1  84.2  29.2  100 -2.1  107 -1.9    0  0.0    0  0.0  9 47
  105 A 105    PRO P   G G 4   3 TS+    0    0  -58.1  -23.4 -180.0   49.7 108.0  41.1    0  0.0    0  0.0    0  0.0    0  0.0  5 35
  106 A 106    TYR Y   G G 4   < TS+    0    0  -89.7   -6.5 -175.3  102.4  96.4  53.9  103 -1.9    0  0.0    0  0.0    0  0.0  6 40
  107 A 107    ALA A     g <   < T +    0    0  -88.6  147.0  176.7  172.1  37.6 119.2  104 -1.9    0  0.0  103 -0.7    0  0.0 11 47
  108 A 108    THR T   S e        S+    0    0 -122.7   -3.7  177.7   42.7  73.9  65.2    2 -2.4  158 -1.7    0  0.0    0  0.0 10 38
  109 A 109    ARG R   E E  AbG    -    3  157 -144.4  142.0  172.3 -172.4  55.0 174.5    2 -1.1    4 -2.3    0  0.0    0  0.0 12 46
  110 A 110    CYS C   E E  AbG    -    4  156 -132.3  136.1  177.3 -163.2   7.1 173.7  156 -2.0  156 -3.2    0  0.0  112 -0.6 12 57
  111 A 111    GLU E   E E  AbG    -    5  155 -119.4  104.0 -175.3 -174.7  22.9 166.5    4 -2.2    6 -1.9    0  0.0    0  0.0 12 55
  112 A 112    VAL V   E E  AbG    -    6  154 -112.2  137.6  176.9 -160.7  21.9 150.3  154 -2.5  154 -3.0  110 -0.6  114 -0.6 12 62
  113 A 113    THR T   E E  AbG    -    7  153 -111.4  117.6  176.2 -155.0  14.6 168.5    6 -1.9    8 -3.0    0  0.0  115 -0.5 12 60
  114 A 114    GLU E   E E  AbG    -    8  152  -95.1  129.2  179.7 -155.3   4.8 152.7  152 -3.3  152 -1.9  112 -0.6  116 -0.6 12 55
  115 A 115    VAL V   E E  AbG    -    9  151 -106.7  119.8 -179.4 -139.8  12.1 156.0    8 -3.2  117 -1.9  113 -0.5   10 -1.4 12 49
  116 A 116    ASP D     e         +    0    0  -79.0   71.4 -178.3  129.1  56.2 118.5  150 -2.9    0  0.0  114 -0.6    0  0.0  9 39
  117 A 117    ILE I               -    0    0 -128.9  137.0  178.7 -116.8  65.5 161.7  115 -1.9  119 -1.0    0  0.0   10 -0.5  8 32
  118 A 118    GLY G               +    0    0  -76.4  106.9 -178.3  147.2  54.4 135.5    0  0.0    0  0.0    0  0.0    0  0.0  7 24
  119 A 119    LEU L               -    0    0 -145.7   79.1  179.8 -156.3  32.6 126.7  117 -1.0    0  0.0    0  0.0    0  0.0  8 33
  120 A 120    PRO P               -    0    0  -54.7  141.2  179.8  -96.1  35.5 103.2    0  0.0    0  0.0    0  0.0    0  0.0  6 24
  121 A 121    ARG R               -    0    0  -62.6  142.0  176.9 -163.7  41.3 106.2    0  0.0    0  0.0    0  0.0    0  0.0  8 28
  122 A 122    GLU E     t     > T -    0    0 -125.0  149.8 -178.6  -84.0  34.7 162.8    0  0.0  125 -2.0    0  0.0    0  0.0  5 25
  123 A 123    ALA A   T T     3 TS+    0    0  -55.2  133.5  178.8   23.1 115.3 104.2    0  0.0    0  0.0    0  0.0    0  0.0  4 18
  124 A 124    GLY G   T T     3 TS+    0    0   93.6   -6.2 -179.7  140.9  87.8  66.9    0  0.0    0  0.0    0  0.0    0  0.0  5 23
  125 A 125    ASP D     t     < T -    0    0  -66.6  151.5  174.0 -117.7  57.3 109.1  122 -2.0    0  0.0    0  0.0    0  0.0 11 35
  126 A 126    ALA A   E E  BC     -   15    0  -87.0  137.5 -177.6 -160.2  41.1 140.8   15 -2.3   14 -2.5    0  0.0   15 -1.6 11 43
  127 A 127    LEU L   E E  BC     -   13    0 -124.4  155.4  178.4 -108.1  18.3 155.9    0  0.0    0  0.0    0  0.0    0  0.0 10 48
  128 A 128    ALA A     e         -    0    0  -74.9  151.0  178.6 -103.3  43.4 109.7   12 -2.7    0  0.0    0  0.0    0  0.0 11 53
  129 A 129    PRO P               -    0    0  -71.1  152.2  179.4 -117.1  37.3 113.7    0  0.0  131 -0.5    0  0.0    0  0.0  9 48
  130 A 130    VAL V               -    0    0  -98.8  127.6 -178.2 -136.6  23.6 152.9    0  0.0    0  0.0    0  0.0    0  0.0  4 43
  131 A 131    LEU L               -    0    0  -86.2  122.9 -179.9 -161.7  19.5 138.0  129 -0.5    0  0.0    0  0.0    0  0.0  6 41
  132 A 132    ASP D     t     > T -    0    0  -88.7 -165.2 -176.8  -75.6  42.3  98.9    0  0.0  135 -1.5    0  0.0    0  0.0  5 21
  133 A 133    GLU E   T T     3 TS+    0    0  -78.5    0.8  177.0   82.1 114.7  63.1    0  0.0    0  0.0    0  0.0    0  0.0  5 19
  134 A 134    THR T   T T     3 TS+    0    0  -73.6  -13.9 -178.0   83.5  84.9  41.6    0  0.0    0  0.0    0  0.0    0  0.0  6 21
  135 A 135    TRP W     t     < T -    0    0  -97.5  136.3  175.6 -160.0  62.9 133.8  132 -1.5    0  0.0    0  0.0    0  0.0  9 27
  136 A 136    ARG R   E E  AH     -  157    0 -107.1  132.7 -179.0 -164.8  23.2 158.4  157 -2.8  157 -2.2    0  0.0    0  0.0  8 24
  137 A 137    GLY G   E E  AH     -  156    0 -126.3  157.6  178.7 -158.2  23.2 147.7    0  0.0    0  0.0    0  0.0    0  0.0  8 29
  138 A 138    GLU E   E E  AH     -  155    0 -129.5  121.9 -179.2 -146.1  21.8 177.0  155 -1.4  155 -1.9    0  0.0    0  0.0  7 23
  139 A 139    THR T   E E  AH     -  154    0  -97.7  128.9  178.9 -145.5   9.2 145.3    0  0.0    0  0.0    0  0.0    0  0.0  8 26
  140 A 140    GLY G     e         -    0    0  -84.0  170.2 -179.7  -86.2  30.8 105.9  153 -3.1    0  0.0    0  0.0    0  0.0  7 25
  141 A 141    GLU E               -    0    0  -79.2  143.2  178.0 -100.7  47.3 123.0    0  0.0    0  0.0    0  0.0    0  0.0  6 20
  142 A 142    TRP W               -    0    0  -59.1  144.3  179.0 -171.1  43.7 107.4    0  0.0    0  0.0    0  0.0    0  0.0  8 28
  143 A 143    ARG R   E E  AI     -  151    0 -135.0  157.0  176.8 -125.8  20.2 157.0  151 -2.8  151 -2.5    0  0.0    0  0.0  7 26
  144 A 144    PHE F   E E  AI     -  150    0 -105.4  133.5  177.8 -148.5  22.3 155.7    0  0.0    0  0.0    0  0.0    0  0.0  9 24
  145 A 145    SER S     e     > T -    0    0  -93.6  163.0  177.8 -108.2  30.2 127.1  149 -2.2  148 -2.2    0  0.0    0  0.0 11 27
  146 A 146    ARG R   T T     3 TS+    0    0  -58.8  -27.0  179.4   66.1 120.3  36.8    0  0.0    0  0.0    0  0.0    0  0.0  6 20
  147 A 147    SER S   T T     3 TS-    0    0  -72.5   -5.1  179.9 -112.0 119.4  56.7    0  0.0    0  0.0    0  0.0    0  0.0  7 19
  148 A 148    GLY G   S t     < TS+    0    0   92.6   -8.2 -179.1  129.5  76.2  74.8  145 -2.2    0  0.0    0  0.0    0  0.0  6 21
  149 A 149    LEU L     e         -    0    0  -82.0  135.5  174.6 -134.0  55.1 122.3    0  0.0  145 -2.2    0  0.0    0  0.0 11 31
  150 A 150    ARG R   E E  A I    +    0  144  -83.7  147.2  178.8  167.8  35.6 136.0    0  0.0  116 -2.9    0  0.0    0  0.0 11 33
  151 A 151    TYR Y   E E  AGI    -  115  143 -153.2  158.4  177.1 -166.0  17.7 167.7  143 -2.5  143 -2.8    0  0.0    0  0.0 12 43
  152 A 152    ARG R   E E  AG     -  114    0 -147.6  155.0 -179.2 -123.6  18.5 171.8  114 -1.9  114 -3.3    0  0.0    0  0.0 12 40
  153 A 153    LEU L   E E  AG     -  113    0 -102.4  144.7  177.2 -166.4  18.3 139.7    0  0.0  140 -3.1    0  0.0    0  0.0 12 43
  154 A 154    TYR Y   E E  AGH    -  112  139 -126.8  140.1  177.1 -160.9   4.6 169.5  112 -3.0  112 -2.5    0  0.0  156 -0.5 13 43
  155 A 155    SER S   E E  AGH    -  111  138 -124.2  117.8 -179.7 -175.5  15.2 171.1  138 -1.9  138 -1.4    0  0.0    0  0.0 11 40
  156 A 156    TYR Y   E E  AGH    +  110  137 -114.8  151.3  178.4  175.9   3.8 151.1  110 -3.2  110 -2.0  154 -0.5    0  0.0 12 40
  157 A 157    HIS H   E E  AGH    -  109  136 -148.9  161.5  176.7 -179.7  13.6 162.2  136 -2.2  136 -2.8    0  0.0    0  0.0 10 31
  158 A 158    ARG R     e              0    0 -158.8  141.0 -178.1  999.9 999.9 158.0  108 -1.7    0  0.0    0  0.0    0  0.0  8 25
  159 A 159    SER S                    0    0  -91.7  999.9  999.9  999.9 999.9  43.6    0  0.0    0  0.0    0  0.0    0  0.0  3 20
 
 1df7A.pdb                                                   
 1DF7  OXIDOREDUCTASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand   EEEEEEEETTSEEEBTTB SS  HHHHHHHHHHHTTSEEEEEHHHHHHS GGGSS TTSEEEEE SSTT   TTSEEESSHHHHTTSSSEEE   HHHH  Kabs/Sand
 chirality   ---+----+-++++--+--+-+++++++++++++++---+--++++++--++++--++-----+-+-++-+-++--+-+-++++++-++------++++  chirality
     bends           SSS   SSSS SS  SSSSSSSSSSSSSS     SSSSSSS SSSSS SSS      SSSS   SSS   SSSSSSS SSS      SSSS  bends    
     turns          TTTT   TTTT    TTTTTTTTTTTTTTT    TTTTTTTTTTTTT TTTT       TTTT TTTT    TTTTTTTT       TTTTT  turns    
   5-turns                                                                                                        5-turns  
   3-turns          >33<   >33<    >33<       >33<        >33<>>3<< >33<       >33< >33<       >>3<<              3-turns  
  bridge-2    bbbbbbb                             eee                     fff                         eee         bridge-2 
  bridge-1   aaa        C*CA  A                   ddddd                 ddddd           fff           aaa         bridge-1 
    sheets   AAAAAAAA   BBB                       AAAAA                 AAAAA           AAA           AAA         sheets   
   4-turns                         >>>>XXXXX<<<<      >>>><<<<                              >>44<<         >>>>X  4-turns  
   summary  eEEEEEEEEeTeEEEBTTB SS hHHHHHHHHHHHhTeEEEEEHHHHHHhgGGGgStTTtEEEEEeStTTt tTTtEEEShHHHHhTtSeEEEe hHHHH  summary  
  sequence  MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVY  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                               author   
 Kabs/Sand  HHHGGG SEEEEEEE       TT EE     TT EEEE   EE TTS EEEEEEEE    Kabs/Sand
 chirality  ++++++++-------+-+----++--------++-----------+-+-+-----+-    chirality
     bends  SSSSSS S              SS        SS           SSS             bends    
     turns  TTTTTTT              TTTT      TTTT         TTTT             turns    
   5-turns                                                               5-turns  
   3-turns    >>3<<              >33<      >33<         >33<             3-turns  
  bridge-2          GGGGGGG                                  II  HHHH    bridge-2 
  bridge-1          bbbbbbb          CC        HHHH   II      GGGGGGG    bridge-1 
    sheets          AAAAAAA          BB        AAAA   AA     AAAAAAAA    sheets   
   4-turns  <