Secondary structure calculation program - copyright by David Keith Smith, 1989
 1h70A.pdb                                                   
 1H70  HYDROLASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  255
             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   0    PHE F                    0    0  999.9  162.9  178.5  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  3 26
    2 A   1    MET M               -    0    0 -154.2  143.1  176.3 -118.3 999.9 166.0    0  0.0    0  0.0    0  0.0    0  0.0  5 32
    3 A   2    PHE F               -    0    0  -77.9  149.4  178.1 -172.5  19.1 122.8    0  0.0    0  0.0    0  0.0    0  0.0 10 37
    4 A   3    LYS K     e         +    0    0 -112.4  -25.7 -176.5   34.5  63.8  50.2  255 -2.5   49 -2.5    0  0.0    0  0.0  9 31
    5 A   4    HIS H   E E  AaB    -   49  255 -138.1  156.7  174.9 -167.7  49.5 163.4  255 -3.0  255 -2.5    0  0.0    0  0.0 10 42
    6 A   5    ILE I   E E  AaB    -   50  254 -134.2  141.4  171.8 -159.2   9.5 167.6   49 -1.9   51 -2.4    0  0.0    0  0.0 13 54
    7 A   6    ILE I   E E  AaB    +   51  253 -118.7  139.8  178.9  160.6  21.9 168.6  253 -2.0  253 -1.8    0  0.0    0  0.0 12 62
    8 A   7    ALA A   E E  Aa     -   52    0 -146.6  170.6  178.3 -139.2  25.7 156.3   51 -2.4   53 -3.1    0  0.0    0  0.0 14 59
    9 A   8    ARG R   E E  Aa     -   53    0 -143.2  131.4  178.2 -112.2  24.2 170.0    0  0.0    0  0.0    0  0.0    0  0.0 14 60
   10 A   9    THR T     e         -    0    0  -54.8  138.5  178.6 -106.3  43.6 106.5   53 -2.5    0  0.0    0  0.0    0  0.0 11 52
   11 A  10    PRO P               -    0    0  -69.5  146.6  179.9 -129.9  32.6 111.9    0  0.0    0  0.0    0  0.0    0  0.0 14 56
   12 A  11    ALA A     g     > T -    0    0  -90.1  164.9  176.4 -112.6  21.1 120.7    0  0.0   15 -1.7    0  0.0    0  0.0 13 44
   13 A  12    ARG R   G G     > TS+    0    0  -64.4  -31.8  179.4   66.4 117.9  30.5    0  0.0   16 -1.4    0  0.0    0  0.0  8 35
   14 A  13    SER S   G G     > TS+    0    0  -67.3   -2.8  175.5   97.0  71.1  59.5    0  0.0   17 -2.2    0  0.0    0  0.0 10 36
   15 A  14    LEU L   G G     X TS+    0    0  -52.1  -35.2 -179.9   69.9  70.1  35.1   12 -1.7   18 -2.3    0  0.0    0  0.0 11 50
   16 A  15    VAL V   G G     < TS+    0    0  -56.3  -26.4  179.4   48.0  99.9  39.8   13 -1.4    0  0.0    0  0.0    0  0.0 10 41
   17 A  16    ASP D   G G     < TS+    0    0 -102.1   24.0  178.5  140.7  84.5  91.0   14 -2.2    0  0.0    0  0.0    0  0.0  8 38
   18 A  17    GLY G     g     < T -    0    0  -65.1  153.7  179.3  -88.8  62.9 108.1   15 -2.3    0  0.0    0  0.0    0  0.0  9 49
   19 A  18    LEU L               +    0    0  -61.8  143.7  175.5  168.3  57.1 106.9    0  0.0    0  0.0    0  0.0    0  0.0  7 46
   20 A  19    THR T               -    0    0 -161.0  148.9  175.1 -170.8  42.6 167.2    0  0.0    0  0.0    0  0.0    0  0.0  7 38
   21 A  20    SER S   S S        S+    0    0 -113.3    7.1 -179.6   93.2  71.9  77.9    0  0.0    0  0.0    0  0.0    0  0.0  6 27
   22 A  21    SER S               -    0    0  -97.9  172.1  179.9 -145.6  65.1 115.1    0  0.0    0  0.0    0  0.0    0  0.0  7 27
   23 A  22    HIS H               +    0    0 -133.5   53.1 -178.1  116.8  61.3 113.5    0  0.0    0  0.0    0  0.0    0  0.0  5 19
   24 A  23    LEU L   S S        S-    0    0 -106.4   13.2 -178.2  -94.7  82.9  77.1    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   25 A  24    GLY G               -    0    0   95.5  173.6  178.8  -61.9  52.0 106.0    0  0.0    0  0.0    0  0.0    0  0.0  5 25
   26 A  25    LYS K               -    0    0  -96.9  145.7  179.4  -96.2  59.2 139.7    0  0.0    0  0.0    0  0.0    0  0.0  9 32
   27 A  26    PRO P               -    0    0  -57.7  142.9  175.6 -133.4  27.3 103.3    0  0.0   29 -0.7    0  0.0    0  0.0 13 39
   28 A  27    ASP D     h >     T -    0    0  -97.0  111.9 -177.6 -149.1  15.5 155.4    0  0.0   32 -2.6    0  0.0    0  0.0  8 30
   29 A  28    TYR Y   H H >     TS+    0    0  -52.8  -49.1 -178.8   49.5  92.4  22.4   27 -0.7   33 -2.3    0  0.0    0  0.0 10 35
   30 A  29    ALA A   H H >     TS+    0    0  -59.0  -44.6  178.9   45.5 114.3  22.2    0  0.0   34 -1.8    0  0.0    0  0.0  6 26
   31 A  30    LYS K   H H >     TS+    0    0  -66.1  -36.8  179.6   53.9 110.6  26.6    0  0.0   35 -2.2    0  0.0    0  0.0  9 30
   32 A  31    ALA A   H H X     TS+    0    0  -65.1  -37.5  178.9   54.4 105.5  28.7   28 -2.6   36 -2.3    0  0.0    0  0.0 13 46
   33 A  32    LEU L   H H X     TS+    0    0  -62.0  -44.6  179.8   48.4 108.4  21.6   29 -2.3   37 -2.2    0  0.0    0  0.0 10 43
   34 A  33    GLU E   H H X     TS+    0    0  -64.6  -38.0 -179.7   49.7 111.8  27.4   30 -1.8   38 -2.4    0  0.0    0  0.0  8 30
   35 A  34    GLN Q   H H X     TS+    0    0  -68.3  -37.5 -179.1   49.5 110.0  27.1   31 -2.2   39 -1.8    0  0.0    0  0.0 12 47
   36 A  35    HIS H   H H X     TS+    0    0  -67.8  -36.4  177.9   50.9 111.0  27.8   32 -2.3   40 -2.3    0  0.0    0  0.0 11 58
   37 A  36    ASN N   H H X     TS+    0    0  -64.1  -45.2 -179.7   50.9 109.0  19.0   33 -2.2   41 -2.6    0  0.0    0  0.0  8 43
   38 A  37    ALA A   H H X     TS+    0    0  -59.8  -35.5  179.8   52.5 109.0  30.1   34 -2.4   42 -1.6    0  0.0    0  0.0 10 38
   39 A  38    TYR Y   H H X     TS+    0    0  -67.4  -44.5  177.5   48.0 109.5  24.1   35 -1.8   43 -2.2    0  0.0    0  0.0 10 58
   40 A  39    ILE I   H H X     TS+    0    0  -63.0  -40.4 -179.8   53.1 109.4  23.9   36 -2.3   44 -1.9    0  0.0    0  0.0  8 52
   41 A  40    ARG R   H H <     TS+    0    0  -65.0  -34.2  175.2   49.7 108.9  32.9   37 -2.6    0  0.0    0  0.0    0  0.0  8 38
   42 A  41    ALA A   H H <   > TS+    0    0  -66.2  -45.5 -179.9   50.6 110.2  23.2   38 -1.6   45 -1.7    0  0.0    0  0.0 11 45
   43 A  42    LEU L   H H <   > TS+    0    0  -64.3  -26.1  176.9   67.3  98.1  37.0   39 -2.2   46 -1.6    0  0.0    0  0.0 10 50
   44 A  43    GLN Q   T h <   3 TS+    0    0  -67.9  -13.3  178.4   54.7  97.8  49.5   40 -1.9    0  0.0    0  0.0    0  0.0 10 36
   45 A  44    THR T   T T     < TS+    0    0  -99.0    6.2 -175.5   79.3  89.4  69.8   42 -1.7    0  0.0    0  0.0    0  0.0  7 32
   46 A  45    CYS C   S t     < TS-    0    0 -104.2   19.9  177.6 -109.8 103.6  82.1   43 -1.6    0  0.0    0  0.0    0  0.0  9 39
   47 A  46    ASP D   S S        S+    0    0   57.0   43.6  176.3  114.0  80.6  29.9    0  0.0    0  0.0    0  0.0    0  0.0  8 29
   48 A  47    VAL V               -    0    0 -132.2  157.4  170.2 -118.9  66.9 155.0    0  0.0    0  0.0    0  0.0    0  0.0 11 33
   49 A  48    ASP D   E E  Aa     -    5    0  -95.1  156.9 -171.4 -139.6  31.3 141.2    4 -2.5    6 -1.9    0  0.0    0  0.0  8 29
   50 A  49    ILE I   E E  Aa     -    6    0 -121.3  132.3  174.1 -160.6  13.1 160.9    0  0.0   52 -0.6    0  0.0    0  0.0 10 38
   51 A  50    THR T   E E  Aa     -    7    0 -110.0  113.2 -175.4 -167.9  16.4 166.8    6 -2.4    8 -2.4    0  0.0   53 -0.6  8 42
   52 A  51    LEU L   E E  Aa     -    8    0 -109.9  110.5 -177.0 -155.9   5.5 154.9   50 -0.6    0  0.0    0  0.0    0  0.0  8 43
   53 A  52    LEU L   E E  Aa     -    9    0  -86.6  156.0 -178.7 -102.1  22.3 119.5    8 -3.1   10 -2.5   51 -0.6    0  0.0  8 42
   54 A  53    PRO P               -    0    0  -73.8  158.3  179.8  -92.9  42.4 106.0    0  0.0    0  0.0    0  0.0    0  0.0  6 37
   55 A  54    PRO P               -    0    0  -67.3  154.6  176.8 -153.9  29.9 106.2    0  0.0    0  0.0    0  0.0    0  0.0 10 37
   56 A  55    ASP D     t     > T -    0    0 -133.5  108.0 -178.2 -162.0   3.4 156.4    0  0.0   59 -1.8    0  0.0    0  0.0  9 35
   57 A  56    GLU E   T T     3 TS+    0    0  -61.4  -23.8  179.9   67.9  86.6  43.5    0  0.0    0  0.0    0  0.0    0  0.0  8 28
   58 A  57    ARG R   T T     3 TS+    0    0  -69.7  -16.1 -176.6   51.5 101.3  48.4    0  0.0    0  0.0    0  0.0    0  0.0  5 31
   59 A  58    PHE F     t     X T -    0    0 -128.0   86.9 -178.7 -174.8  63.8 141.1   56 -1.8   62 -2.4    0  0.0    0  0.0 11 39
   60 A  59    PRO P   T T     3 TS+    0    0  -48.0  -37.3 -177.8   42.3  89.4  36.3    0  0.0    0  0.0    0  0.0    0  0.0 16 48
   61 A  60    ASP D   T T     > TS+    0    0  -97.7   13.2 -177.0  111.8  78.4  74.3    0  0.0   64 -2.2    0  0.0    0  0.0 10 64
   62 A  61    SER S   T T     < T +    0    0  -66.3  -11.4  173.9   75.9  61.3  47.1   59 -2.4    0  0.0    0  0.0    0  0.0 13 65
   63 A  62    VAL V   T T     3 TS+    0    0  -65.3  -25.9  179.0   78.9  79.1  38.2    0  0.0   65 -1.8    0  0.0    0  0.0 12 68
   64 A  63    PHE F     t     X T +    0    0  -85.2   67.4 -177.9  162.4  57.3 116.3   61 -2.2   67 -1.6    0  0.0    0  0.0 12 78
   65 A  64    VAL V   T T >   3 T +    0    0  -64.1  -15.0  175.6   82.0  56.9  50.2   63 -1.8   69 -0.5    0  0.0    0  0.0 14 72
   66 A  65    GLU E   T T 4   > TS+    0    0  -57.4  -36.8 -173.8   55.9  87.9  29.0  250 -2.2   69 -0.6    0  0.0    0  0.0 14 72
   67 A  66    ASP D   T T 4   < TS+    0    0  -70.6  -43.0 -178.0   54.8  97.7  26.6   64 -1.6  116 -2.1    0  0.0    0  0.0 13 74
   68 A  67    PRO P   T e 4   3 TS+    0    0  -69.3   -8.8 -177.7   25.9 113.8  54.2    0  0.0   79 -2.2    0  0.0    0  0.0 15 64
   69 A  68    VAL V   E E    > TS-    0    0  -71.8  118.9 -179.4 -143.1  75.7 126.9    0  0.0   86 -2.0    0  0.0   87 -0.9  7 43
   84 A  83    GLU E   G G 4   > TS+    0    0  -46.1  -50.2 -179.8   51.3  98.3  31.6   82 -0.5   87 -0.7    0  0.0    0  0.0  6 32
   85 A  84    SER S   G G 4   3 TS+    0    0  -67.9  -11.3 -178.5   45.8 113.4  53.6    0  0.0    0  0.0    0  0.0    0  0.0  6 34
   86 A  85    ARG R   G G 4   X TS+    0    0 -111.8   -5.5 -179.4   91.8  81.9  58.7   83 -2.0   89 -1.7    0  0.0    0  0.0 11 47
   87 A  86    ARG R   G G <   X TS+    0    0  -56.8  -40.5 -179.5   58.1  83.7  26.2   83 -0.9   90 -1.5   84 -0.7    0  0.0 11 46
   88 A  87    GLY G   G h >   > TS+    0    0  -67.9   -9.2  177.5   85.8  82.0  57.5    0  0.0   91 -0.9    0  0.0   92 -0.8  7 38
   89 A  88    GLU E   H H >   < TS+    0    0  -64.8  -21.5  178.2   67.9  77.3  43.0   86 -1.7   93 -0.6    0  0.0    0  0.0 10 57
   90 A  89    THR T   H H >   X TS+    0    0  -64.6  -34.2 -177.5   56.2  95.5  30.2   87 -1.5   94 -1.1    0  0.0   93 -0.6 12 53
   91 A  90    GLU E   H H 4   < TS+    0    0  -67.1  -36.4 -178.2   49.5 104.7  32.1   88 -0.9    0  0.0    0  0.0    0  0.0  7 39
   92 A  91    ILE I   H H <   3 TS+    0    0  -83.5   -6.7  177.0   43.1 115.8  56.0   88 -0.8    0  0.0    0  0.0    0  0.0  7 43
   93 A  92    ILE I   H H X   < TS+    0    0 -109.6  -12.3 -177.2   88.5  89.1  55.2   89 -0.6   97 -1.9   90 -0.6    0  0.0  9 53
   94 A  93    GLU E   H H X     TS+    0    0  -55.6  -41.3 -178.4   55.5  83.1  32.2   90 -1.1   98 -2.6    0  0.0    0  0.0  9 44
   95 A  94    GLU E   H H >     TS+    0    0  -62.8  -41.7  177.1   47.7 108.9  23.5    0  0.0   99 -1.9    0  0.0    0  0.0  8 33
   96 A  95    THR T   H H >     TS+    0    0  -62.3  -46.6 -177.7   47.3 113.2  21.6    0  0.0  100 -1.4    0  0.0    0  0.0  7 42
   97 A  96    VAL V   H H X     TS+    0    0  -62.2  -43.3 -179.3   54.3 109.4  22.1   93 -1.9  101 -2.0    0  0.0    0  0.0 10 46
   98 A  97    GLN Q   H H <     TS+    0    0  -59.3  -36.9  178.6   53.7 105.6  27.6   94 -2.6    0  0.0    0  0.0    0  0.0 11 32
   99 A  98    ARG R   H H <     TS+    0    0  -68.0  -33.2  178.5   40.2 114.6  30.9   95 -1.9    0  0.0    0  0.0    0  0.0  7 29
  100 A  99    PHE F   H H <     TS+    0    0  -84.9  -22.8 -174.1   37.2 124.2  45.2   96 -1.4    0  0.0    0  0.0    0  0.0  6 37
  101 A 100    TYR Y   S h <   > TS-    0    0 -130.3   62.5 -177.6 -170.7  75.9 121.5   97 -2.0  104 -2.2    0  0.0    0  0.0 10 32
  102 A 101    PRO P   T T     3 TS-    0    0  -63.6  126.5 -178.3   -2.0  79.5 111.4    0  0.0    0  0.0    0  0.0    0  0.0  7 21
  103 A 102    GLY G   T T     3 TS+    0    0   65.9   23.0 -178.9   88.5 119.4  42.7    0  0.0    0  0.0    0  0.0    0  0.0  5 22
  104 A 103    LYS K     e     < T +    0    0 -140.9   35.0 -179.7  119.3  49.3  91.1  101 -2.2   76 -2.3    0  0.0  106 -0.6  9 30
  105 A 104    VAL V   E E  Bd     +   76    0 -109.3  121.3 -179.3  179.1  34.2 157.7    0  0.0    0  0.0    0  0.0    0  0.0 12 37
  106 A 105    GLU E   E E  Bd     -   77    0 -111.0  168.3 -179.0 -151.5  10.5 128.3   76 -3.2   78 -2.8  104 -0.6    0  0.0  9 48
  107 A 106    ARG R   E E  Bd     -   78    0 -147.9  148.4  174.6 -125.2  15.3 179.5    0  0.0    0  0.0    0  0.0    0  0.0  8 52
  108 A 107    ILE I     e         -    0    0  -84.1  144.2  179.2 -165.8  35.5 132.7   78 -2.2    0  0.0    0  0.0    0  0.0 14 48
  109 A 108    GLU E     t     > T -    0    0 -127.8  168.2  176.4  -39.1  24.7 146.9    0  0.0  112 -2.3    0  0.0    0  0.0  8 34
  110 A 109    ALA A   T T     3 TS+    0    0  -62.2  150.0    1.5   30.4 116.5 107.1    0  0.0    0  0.0    0  0.0    0  0.0  5 29
  111 A 110    PRO P   T T     3 TS+    0    0  -91.7   30.1  179.9   86.3 108.0 152.8    0  0.0    0  0.0    0  0.0    0  0.0  6 25
  112 A 111    GLY G     t     < T -    0    0  -86.6  154.9 -178.2 -165.6  53.0 119.8  109 -2.3    0  0.0    0  0.0    0  0.0 14 39
  113 A 112    THR T               +    0    0 -139.2  125.9  178.3  169.7  13.9 176.3    0  0.0  135 -1.2    0  0.0    0  0.0 17 48
  114 A 113    VAL V   B B   A     -   80    0 -142.5  138.6  171.5 -172.7  18.5 169.4   80 -2.1   80 -1.5    0  0.0    0  0.0 16 65
  115 A 114    GLU E     g     > T -    0    0 -126.6  123.5 -173.7 -137.7  26.4 174.5    0  0.0  118 -2.2    0  0.0    0  0.0 16 73
  116 A 115    ALA A   G G     > TS+    0    0  -62.8   -9.5  174.3   78.8  95.1  56.0   67 -2.1  119 -1.9    0  0.0    0  0.0 11 79
  117 A 116    GLY G   G G     3 TS+    0    0  -66.9  -17.4  177.7   62.3  88.7  45.4    0  0.0  165 -2.1    0  0.0    0  0.0 13 72
  118 A 117    ASP D   G e     < TS+    0    0  -83.8   -0.8 -176.9   86.3  92.0  65.3  115 -2.2  129 -3.1    0  0.0  120 -0.5 15 73
  119 A 118    ILE I   E E  CE < T -  128    0 -113.2  125.5  177.9 -172.4  54.8 154.7  116 -1.9  121 -0.5    0  0.0    0  0.0 12 75
  120 A 119    MET M   E E  CE     -  127    0 -116.4  117.6 -177.6 -147.9  14.4 160.6  127 -3.0  127 -2.7  118 -0.5  122 -0.5 12 68
  121 A 120    MET M   E E  CE     +  126    0  -88.6  122.3  177.8  172.8  19.9 137.5  119 -0.5    0  0.0    0  0.0    0  0.0  9 66
  122 A 121    VAL V   E E  CE > T -  125    0 -128.3   96.8 -176.5  -55.5  68.4 153.5  125 -3.1  125 -1.9  120 -0.5    0  0.0  9 50
  123 A 122    GLY G   T T     3 TS-    0    0   67.1 -130.6  179.0  -23.8 119.1 120.6    0  0.0    0  0.0    0  0.0    0  0.0  5 39
  124 A 123    ASP D   T e     3 TS+    0    0  -95.8    9.4  179.0   95.3 121.8  69.9    0  0.0  152 -2.6    0  0.0    0  0.0  7 36
  125 A 124    HIS H   E E  CEf< T -  122  152 -101.3  138.1  179.7 -158.3  58.7 145.4  122 -1.9  122 -3.1    0  0.0  127 -0.5 10 41
  126 A 125    PHE F   E E  CEf    -  121  153 -119.9  115.3  179.3 -155.0   3.3 163.4  152 -1.6  154 -1.9    0  0.0    0  0.0 13 55
  127 A 126    TYR Y   E E  CEf    -  120  154  -89.7  128.2 -176.3 -163.9  14.4 141.7  120 -2.7  120 -3.0  125 -0.5  129 -0.5 13 57
  128 A 127    ILE I   E E  CEf    -  119  155 -120.0  116.8  179.9 -141.0   9.0 161.9  154 -2.7  156 -2.5    0  0.0    0  0.0 13 66
  129 A 128    GLY G   E E  C f    -    0  156  -77.5  141.1  176.6 -136.6   9.9 118.9  118 -3.1  131 -0.9  127 -0.5    0  0.0 14 57
  130 A 129    GLU E   E E  C f    +    0  157  -93.1  105.0 -176.3  146.3  50.5 149.3  156 -2.3  158 -0.9    0  0.0    0  0.0 14 46
  131 A 130    SER S               -    0    0 -126.6 -166.0  176.4  -81.8  67.7 119.9  134 -1.8    0  0.0  129 -0.9    0  0.0 14 43
  132 A 131    ALA A   S S        S+    0    0  -73.3  -17.9 -178.6   39.4 131.9  46.3    0  0.0    0  0.0    0  0.0    0  0.0  7 43
  133 A 132    ARG R   S S        S+    0    0 -101.9  -28.0 -179.7   49.6 115.7  46.9    0  0.0  135 -0.5    0  0.0    0  0.0 13 54
  134 A 133    THR T   S S        S-    0    0 -118.8  110.6 -179.0 -162.8  73.8 160.9    0  0.0  131 -1.8    0  0.0    0  0.0 16 57
  135 A 134    ASN N     h >     T -    0    0  -91.3  165.2 -178.4 -105.2  33.3 112.8  113 -1.2  139 -2.5  133 -0.5    0  0.0 12 44
  136 A 135    ALA A   H H >     TS+    0    0  -57.1  -33.7  179.0   53.6 120.2  36.6    0  0.0  140 -2.2    0  0.0    0  0.0  8 41
  137 A 136    GLU E   H H >     TS+    0    0  -69.1  -40.5  178.2   47.7 110.2  23.8    0  0.0  141 -2.4    0  0.0    0  0.0  9 36
  138 A 137    GLY G   H H >     TS+    0    0  -64.7  -45.1  176.7   49.5 111.9  24.6    0  0.0  142 -2.5    0  0.0    0  0.0 15 52
  139 A 138    ALA A   H H X     TS+    0    0  -58.0  -45.4  179.3   51.9 110.5  23.7  135 -2.5  143 -2.9    0  0.0    0  0.0 16 57
  140 A 139    ARG R   H H X     TS+    0    0  -57.1  -49.4 -179.8   47.8 109.6  20.8  136 -2.2  144 -2.3    0  0.0    0  0.0  8 44
  141 A 140    GLN Q   H H X     TS+    0    0  -60.1  -43.1  179.4   48.9 113.4  24.5  137 -2.4  145 -1.9    0  0.0    0  0.0 10 47
  142 A 141    MET M   H H X     TS+    0    0  -64.6  -44.7 -179.6   50.3 109.7  23.7  138 -2.5  146 -2.6    0  0.0    0  0.0 10 61
  143 A 142    ILE I   H H X     TS+    0    0  -62.2  -38.6 -179.8   52.3 109.7  21.6  139 -2.9  147 -2.7    0  0.0    0  0.0 11 51
  144 A 143    ALA A   H H X     TS+    0    0  -62.9  -41.1  179.2   47.3 110.6  25.0  140 -2.3  148 -2.1    0  0.0    0  0.0  8 37
  145 A 144    ILE I   H H X     TS+    0    0  -65.1  -47.3  178.1   50.3 111.5  20.7  141 -1.9  149 -1.4    0  0.0    0  0.0  9 43
  146 A 145    LEU L   H H <    >TS+    0    0  -56.2  -44.5  179.9   49.7 111.1  23.3  142 -2.6  151 -3.1    0  0.0    0  0.0 11 45
  147 A 146    GLU E   H H <   >5TS+    0    0  -63.8  -38.4  178.1   58.6 103.6  27.6  143 -2.7  150 -2.1    0  0.0    0  0.0 10 31
  148 A 147    LYS K   H H <   35TS+    0    0  -57.6  -31.3  179.5   46.0 110.4  33.5  144 -2.1    0  0.0    0  0.0    0  0.0  7 27
  149 A 148    HIS H   T h <   35TS-    0    0  -97.9   13.9  178.6 -101.8 125.1  75.8  145 -1.4    0  0.0    0  0.0    0  0.0  8 30
  150 A 149    GLY G   T T     <5TS+    0    0   78.5    9.1  177.1  117.1  85.8  53.7  147 -2.1    0  0.0    0  0.0    0  0.0  6 23
  151 A 150    LEU L     t       TS-    0    0 -138.0  161.4  178.2 -105.4  77.7 162.5    0  0.0  166 -1.8    0  0.0    0  0.0 11 66
  164 A 163    LEU L   G G     > TS+    0    0  -51.6  -48.0 -176.6   55.5 117.5  26.0    0  0.0  167 -1.7    0  0.0    0  0.0 15 64
  165 A 164    LYS K   G G     3 TS+    0    0  -73.8    2.3  171.9   82.5  84.4  59.3  117 -2.1    0  0.0    0  0.0    0  0.0 13 68
  166 A 165    THR T   G G     < TS+    0    0  -65.3  -35.1 -177.7   22.1 111.4  32.5  163 -1.8    0  0.0    0  0.0    0  0.0 12 67
  167 A 166    GLY G   S e     < TS+    0    0 -121.5   21.4 -178.6   55.9 122.7  81.3  164 -1.7  179 -2.0    0  0.0    0  0.0 16 60
  168 A 167    LEU L   E E  DG     +  178    0 -154.4  149.8  178.6  175.0  46.2 176.2    0  0.0    0  0.0    0  0.0    0  0.0 13 69
  169 A 168    ALA A   E E  DG     -  177    0 -158.4  125.4  177.3 -144.9  20.1 152.7  177 -1.6  177 -3.2    0  0.0  171 -0.5 13 68
  170 A 169    TYR Y   E E  DG     -  176    0  -94.8  123.0 -177.3 -175.3  11.9 143.9    0  0.0    0  0.0    0  0.0    0  0.0 13 62
  171 A 170    LEU L     e         -    0    0 -106.8   28.2 -179.6 -108.6  44.2  86.4  175 -2.8    0  0.0  169 -0.5    0  0.0 11 54
  172 A 171    GLU E   S t     > TS+    0    0   65.7  168.2  179.3   68.6  96.4  83.0    0  0.0  175 -1.7    0  0.0    0  0.0  8 43
  173 A 172    HIS H   T T     3 TS-    0    0   59.2   26.4  178.0  -67.5 128.5  41.1    0  0.0    0  0.0    0  0.0    0  0.0  4 34
  174 A 173    ASN N   T e     3 TS+    0    0   74.1   11.2 -177.7  138.3  97.1  56.0    0  0.0  192 -2.8    0  0.0  176 -0.6  8 32
  175 A 174    ASN N   E E  D h< T -    0  192  -94.7  117.1 -177.4 -176.3  29.8 144.8  172 -1.7  171 -2.8    0  0.0    0  0.0 11 45
  176 A 175    LEU L   E E  DGh    -  170  193 -118.6  122.0  174.1 -147.0  19.6 164.7  192 -2.3  194 -3.1  174 -0.6    0  0.0 13 57
  177 A 176    LEU L   E E  DGh    -  169  194  -81.3  133.3  179.3 -179.9  28.6 134.1  169 -3.2  169 -1.6    0  0.0    0  0.0 15 62
  178 A 177    ALA A   E E  DGh    +  168  195 -143.2  137.2  177.2  177.8  12.7 175.5  194 -2.6  196 -2.5    0  0.0    0  0.0 14 56
  179 A 178    ALA A     e     > T -    0    0 -129.4  159.1  176.4  -18.2  52.1 156.8  167 -2.0  182 -1.8    0  0.0    0  0.0 14 45
  180 A 179    GLY G   G G     > TS+    0    0   52.8 -128.6 -176.8    4.6 125.8  99.2    0  0.0  183 -1.0    0  0.0    0  0.0  8 38
  181 A 180    GLU E   G G     3 TS+    0    0  -68.1   -9.0 -177.8   64.3 123.7  56.3    0  0.0    0  0.0    0  0.0    0  0.0  8 39
  182 A 181    PHE F   G G     X TS+    0    0  -87.6  -22.2 -177.4   80.5  81.2  40.7  179 -1.8  185 -1.6    0  0.0    0  0.0 10 51
  183 A 182    VAL V   T g     < TS+    0    0  -51.3  -45.0 -177.6   34.5 100.1  32.8  180 -1.0    0  0.0    0  0.0    0  0.0 10 39
  184 A 183    SER S   T T     3 TS+    0    0  -99.6   15.5 -178.7  134.9  83.1  77.1    0  0.0    0  0.0    0  0.0    0  0.0  7 25
  185 A 184    LYS K     g     X T -    0    0  -67.8  133.2  178.8 -138.1  55.2 119.4  182 -1.6  188 -1.5    0  0.0    0  0.0  8 32
  186 A 185    PRO P   G G     > TS+    0    0  -57.1  -38.3 -179.0   62.1 100.9  33.5    0  0.0  189 -1.2    0  0.0    0  0.0  5 21
  187 A 186    GLU E   G G     3 TS+    0    0  -62.3  -22.3 -175.9   43.6 107.5  47.9    0  0.0    0  0.0    0  0.0    0  0.0  5 33
  188 A 187    PHE F   G G     X TS+    0    0 -105.8    4.5 -176.1  100.6  81.9  68.4  185 -1.5  191 -1.5    0  0.0    0  0.0 10 45
  189 A 188    GLN Q   T g     < TS+    0    0  -69.0  -15.7  177.6   58.7  75.5  47.8  186 -1.2    0  0.0    0  0.0    0  0.0  9 25
  190 A 189    ASP D   T T     3 TS+    0    0  -89.8    0.6  176.9   87.1  93.4  57.8    0  0.0    0  0.0    0  0.0    0  0.0  5 22
  191 A 190    PHE F   S t     < TS-    0    0  -85.0  165.2  171.9 -106.2  95.6 118.7  188 -1.5  193 -1.2    0  0.0    0  0.0  8 32
  192 A 191    ASN N   E E  Dh     -  175    0  -88.3   98.2 -177.2 -148.9  46.6 144.8  174 -2.8  176 -2.3    0  0.0    0  0.0  8 31
  193 A 192    ILE I   E E  Dh     -  176    0  -80.0  127.8  177.4 -161.4  14.2 127.4  191 -1.2  195 -0.8    0  0.0    0  0.0 11 37
  194 A 193    ILE I   E E  Dh     -  177    0 -106.9   99.0 -178.8 -148.0  16.4 155.4  176 -3.1  178 -2.6    0  0.0    0  0.0  9 49
  195 A 194    GLU E   E E  Dh     -  178    0  -72.8  123.4  179.9 -139.3   8.2 125.9  193 -0.8    0  0.0    0  0.0    0  0.0  8 45
  196 A 195    ILE I     e         -    0    0  -84.8  130.1  179.9 -114.3  23.7 134.5  178 -2.5    0  0.0    0  0.0    0  0.0 12 43
  197 A 196    PRO P     g     > T -    0    0  -61.5  148.9 -176.9 -112.7  26.9 108.4    0  0.0  200 -1.3    0  0.0    0  0.0  9 31
  198 A 197    GLU E   G G     > TS+    0    0  -54.0  -43.9 -179.8   53.5 114.7  32.9    0  0.0  201 -1.6    0  0.0    0  0.0  7 28
  199 A 198    GLU E   G G     3 TS+    0    0  -62.8  -23.4 -177.8   43.6 115.2  40.2    0  0.0    0  0.0    0  0.0    0  0.0  4 22
  200 A 199    GLU E   G G     X TS+    0    0 -108.0   17.0 -178.7  127.8  72.7  83.2  197 -1.3  203 -2.0    0  0.0    0  0.0 11 38
  201 A 200    SER S   G G     X T +    0    0  -44.0  -40.6  180.0   64.9  65.9  38.7  198 -1.6  204 -1.9    0  0.0    0  0.0 11 49
  202 A 201    TYR Y   G G     > TS+    0    0  -53.8  -37.4 -178.8   67.6  90.8  29.2    0  0.0  205 -1.8    0  0.0    0  0.0  8 57
  203 A 202    ALA A   G G     < TS+    0    0  -69.8    6.8  174.3   86.6  72.5  67.8  200 -2.0    0  0.0    0  0.0    0  0.0 11 59
  204 A 203    ALA A   G G     < TS+    0    0  -74.3  -18.3  178.4   78.2  77.0  46.7  201 -1.9  206 -0.8    0  0.0    0  0.0 15 63
  205 A 204    ASN N     g     < T +    0    0  -94.4  105.8  179.3  135.4  65.5 148.8  202 -1.8    0  0.0    0  0.0    0  0.0 15 73
  206 A 205    CYS C               -    0    0 -140.2  163.0  176.1 -128.5  43.6 156.6  204 -0.8    0  0.0    0  0.0    0  0.0 13 74
  207 A 206    ILE I   E E  EI     -  214    0 -127.2  130.6  173.3 -149.9   2.7 166.7  214 -2.3  214 -2.6    0  0.0    0  0.0 12 70
  208 A 207    TRP W   E E  EI     +  213    0  -84.6  132.9  173.9  172.7  22.6 139.5    0  0.0    0  0.0    0  0.0    0  0.0 11 64
  209 A 208    VAL V   E E  EI > T -  212    0 -142.9  101.2  175.2  -35.3  69.3 146.2  212 -2.7  212 -1.8    0  0.0    0  0.0 11 53
  210 A 209    ASN N   T T     3 TS-    0    0   54.7   45.1  178.5  -44.4 122.3  28.6    0  0.0    0  0.0    0  0.0    0  0.0  9 37
  211 A 210    GLU E   T e     3 TS+    0    0   79.1   -1.1  171.2  104.8 120.3  66.9    0  0.0  232 -2.1    0  0.0    0  0.0  7 37
  212 A 211    ARG R   E E  EIj< T -  209  232  -96.2  152.2  174.8 -152.2  59.4 138.9  209 -1.8  209 -2.7    0  0.0    0  0.0 11 48
  213 A 212    VAL V   E E  EIj    -  208  233 -129.6  118.7 -179.3 -156.5   3.7 168.2  232 -2.5  234 -2.8    0  0.0  215 -0.5 14 58
  214 A 213    ILE I   E E  EIj    +  207  234  -95.1  126.8 -175.9  165.7  24.3 146.3  207 -2.6  207 -2.3    0  0.0    0  0.0 14 63
  215 A 214    MET M   E E  E j    -    0  235 -139.4  161.4  177.1  -84.9  41.6 159.2  234 -2.5  236 -2.6  213 -0.5    0  0.0 14 65
  216 A 215    PRO P   E E  E j    -    0  236  -65.0  142.9  179.1 -115.4  48.1 111.3    0  0.0    0  0.0    0  0.0    0  0.0 14 59
  217 A 216    ALA A   S e        S+    0    0  -79.5  147.5  179.7   48.2  92.3 123.5  236 -1.3    0  0.0    0  0.0    0  0.0  8 41
  218 A 217    GLY G   S S        S+    0    0   99.8   16.7 -178.3  102.9  77.5  52.6    0  0.0    0  0.0    0  0.0    0  0.0  5 36
  219 A 218    TYR Y     h >     T +    0    0 -131.1   74.7 -175.2  168.7  38.7 133.5    0  0.0  223 -2.1    0  0.0    0  0.0  9 39
  220 A 219    PRO P   H H >     TS+    0    0  -63.5  -34.1 -178.7   53.3  71.1  36.6    0  0.0  224 -1.7    0  0.0    0  0.0  6 32
  221 A 220    ARG R   H H >     TS+    0    0  -68.7  -42.3  179.3   43.8 113.4  23.2    0  0.0  225 -1.9    0  0.0    0  0.0  8 32
  222 A 221    THR T   H H >     TS+    0    0  -66.9  -40.2  178.0   57.4 109.3  26.2    0  0.0  226 -2.3    0  0.0    0  0.0 11 49
  223 A 222    ARG R   H H X     TS+    0    0  -58.3  -40.1  179.6   45.3 109.6  25.6  219 -2.1  227 -2.6    0  0.0    0  0.0 10 45
  224 A 223    GLU E   H H X     TS+    0    0  -73.5  -35.2  177.8   55.7 108.3  28.0  220 -1.7  228 -2.2    0  0.0    0  0.0  8 33
  225 A 224    LYS K   H H <     TS+    0    0  -62.2  -38.8  177.9   39.3 115.7  24.8  221 -1.9    0  0.0    0  0.0    0  0.0  9 43
  226 A 225    ILE I   H H <   >>TS+    0    0  -74.6  -48.3 -179.1   55.0 112.4  19.7  222 -2.3  229 -1.3    0  0.0  231 -0.9 11 49
  227 A 226    ALA A   H H <   >5TS+    0    0  -53.3  -43.4 -179.0   56.9 102.4  27.5  223 -2.6  230 -1.6    0  0.0    0  0.0 10 35
  228 A 227    ARG R   T h <   35TS+    0    0  -65.0  -21.6  178.0   66.2  95.3  40.0  224 -2.2    0  0.0    0  0.0    0  0.0  7 24
  229 A 228    LEU L   T T     <5TS-    0    0  -72.6  -19.3  176.8 -100.5 123.1  42.4  226 -1.3    0  0.0    0  0.0    0  0.0  6 31
  230 A 229    GLY G   T T     <5TS+    0    0  118.1    0.1 -179.8  134.7  76.0  65.9  227 -1.6    0  0.0    0  0.0    0  0.0  6 26
  231 A 230    TYR Y     t         > T +    0    0 -122.2   29.0 -176.8  132.2  26.4  91.0    0  0.0  242 -2.0    0  0.0  241 -1.3 13 57
  239 A 238    SER S   H H >   3 TS+    0    0  -52.9  -34.6 -178.6   55.7  70.2  36.4    0  0.0  243 -1.2    0  0.0    0  0.0  7 50
  240 A 239    GLU E   H H 4   3 TS+    0    0  -72.8  -26.6  177.5   45.8 110.0  35.1    0  0.0    0  0.0    0  0.0    0  0.0 12 51
  241 A 240    TYR Y   H H 4   X>TS+    0    0  -82.7  -31.1  175.6   63.5 103.1  34.2  238 -1.3  246 -2.2    0  0.0  244 -1.4 11 64
  242 A 241    ARG R   H H <   >5TS+    0    0  -56.1  -35.8  178.4   64.1  93.9  29.8  238 -2.0  245 -1.8    0  0.0    0  0.0 11 58
  243 A 242    LYS K   T h <   35TS+    0    0  -59.5  -29.2  178.5   39.8 108.2  40.3  239 -1.2    0  0.0    0  0.0    0  0.0 14 43
  244 A 243    ILE I   T T     <5TS-    0    0 -116.2   39.6  172.8  -99.8 124.3 102.0  241 -1.4    0  0.0    0  0.0    0  0.0 13 51
  245 A 244    ASP D   T T     <5TS+    0    0   54.3   37.3  179.1  117.2  83.5  42.1  242 -1.8    0  0.0    0  0.0    0  0.0 10 56
  246 A 245    GLY G     t           T -    0    0 -145.5 -156.5 -179.0  -52.6  55.2 128.1    0  0.0  251 -0.9    0  0.0    0  0.0 12 71
  248 A 247    VAL V   T T 4     TS+    0    0  -66.0  -32.5 -179.9   50.7 128.2  36.7    0  0.0    0  0.0    0  0.0    0  0.0 14 74
  249 A 248    SER S   T T 4   > TS+    0    0  -71.6  -34.9 -176.6   57.1 107.9  25.0    0  0.0  252 -1.2    0  0.0    0  0.0 12 70
  250 A 249    SER S   T T 4   3 TS+    0    0  -61.1  -32.2 -171.6   61.3  97.5  43.1    0  0.0   66 -2.2    0  0.0    0  0.0 11 75
  251 A 250    MET M   T T <   3 TS+    0    0  -88.4    4.3  176.4   35.3 104.3  70.9  247 -0.9    0  0.0    0  0.0    0  0.0 13 76
  252 A 251    SER S     t     < T -    0    0 -153.1  165.1  171.3 -133.9  59.2 169.1  249 -1.2    0  0.0    0  0.0    0  0.0 13 71
  253 A 252    LEU L   E E  AB     -    7    0 -112.7  131.7 -174.6 -163.0  30.6 165.0    7 -1.8    7 -2.0    0  0.0    0  0.0 12 68
  254 A 253    ARG R   E E  AB          6    0 -126.0  121.7 -178.0  999.9 999.9 171.1    0  0.0    0  0.0    0  0.0    0  0.0 10 66
  255 A 254    PHE F   E E  AB          5    0 -160.2  999.9  999.9  999.9 999.9 152.5    5 -2.5    5 -3.0    0  0.0    4 -2.5  9 51
 
 1h70A.pdb                                                   
 1H70  HYDROLASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand      EEEEE   GGGGG   S  S    HHHHHHHHHHHHHHHTTSS EEEEE   TT TTTT TTTTEEE SS EEE B SSGGGGGHHHHHHHHHHHH  Kabs/Sand
 chirality   --+--+-----+++++-+-+-+-----+++++++++++++++++-+---------++-+++++++++--+-+--------+-+++++++++++++++++  chirality
     bends              SSSSS   S  S    SSSSSSSSSSSSSSSSSSS         SS SS S  SSS    SS       SSSSSSSSSSSSSSSSSSS  bends    
     turns             TTTTTTT         TTTTTTTTTTTTTTTTTTT         TTTTTTTTTTTTTT             TTTTTTTTTTTTTTTTTT  turns    
   5-turns                                                                                                        5-turns  
   3-turns             >>>X<<<                       >>3<<         >33X3><3X3><3<             >>3XX>>>>XXXXXXXXX<<<<                    >444<             >444<>>>4>X<<<  4-turns  
   summary     eEEEEEe gGGGGGg  S  S   hHHHHHHHHHHHHHHHhTtS EEEEE  tTTtTTTTtTTTeEEEeSSeEEEeB SgGGGGhHHHHHHHHHHHH  summary  
  sequence  FMFKHIIARTPARSLVDGLTSSHLGKPDYAKALEQHNAYIRALQTCDVDITLLPPDERFPDSVFVEDPVLCTSRCAIITRPGAESRRGETEIIEETVQRF  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  STT EEE  TT  B GGGEEEETTEEEEEE SSS HHHHHHHHHHHHHTT EEEEEE SSSSSGGGSEEE STTEEEE GGGTT GGGTTSEEEE  GGG  Kabs/Sand
 chirality  --+++----++-+--+++--+--+-----+-++--+++++++++++++-+------++++---+++++---+-+---+-+++++-+++++-------+++  chirality
     bends  SSS      SS    SSS    SS       SSS SSSSSSSSSSSSSSS        SSSSSSSSS    SSS     SSSSS SSSSSS      SSS  bends    
     turns  TTTT    TTTT  TTTTT  TTTT         TTTTTTTTTTTTTTTTT           TTTTT    TTTT   TTTTTTTTTTTTT     TTTT  turns    
   5-turns                                               >5555<                                                   5-turns  
   3-turns  >33<    >33<  >>3<<  >33<                     >33<            >>3<<    >33<   >>3X<3X>3X<3<     >>3X  3-turns  
  bridge-2                          ffffff                                            hhhh                        bridge-2 
  bridge-1      ddd      A    EEEE  EEEE                       ffffff          GGG     GGG             hhhh       bridge-1 
    sheets      BBB           CCCC  CCCCCC                     CCCCCC          DDD    DDDD             DDDD       sheets   
   4-turns  <                                 >>>>XXXXXXX<<<<                                                     4-turns  
   summary  hTTeEEEetTTt BgGGeEEEETeEEEEEE SSShHHHHHHHHHHHHHhTtEEEEEEeSSSSgGGGeEEEetTeEEEEeGGGgTgGGGgTtEEEEegGGG  summary  
  sequence  YPGKVERIEAPGTVEAGDIMMVGDHFYIGESARTNAEGARQMIAILEKHGLSGSVVRLEKVLHLKTGLAYLEHNNLLAAGEFVSKPEFQDFNIIEIPEEE  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                           author   
 Kabs/Sand  GGGG  EEETTEEEEESS HHHHHHHHTTT EEEEE  HHHHTTT  TTTT EEE  Kabs/Sand
 chirality  +++++--+--+--+--++++++++++++-+----+-+++++++-++-++++--    chirality
     bends   SSS     SS     SS SSSSSSSSSSS        SSSSSSS  SSSS      bends    
     turns  TTTTT   TTTT      TTTTTTTTTTTTT      TTTTTTTTTTTTTTT     turns    
   5-turns                           >5555<         >5555<           5-turns  
   3-turns  X><<<   >33<             >>3<<       >33X>3<<   >33<     3-turns  
  bridge-2             jjjjj                                         bridge-2 
  bridge-1        III  III                 jjjjj                BBB  bridge-1 
    sheets        EEE  EEEEE               EEEEE                AAA  sheets   
   4-turns                    >>>>XX<<<<         >>44<<   >444<      4-turns  
   summary  GGGGg EEETeEEEEEeShHHHHHHHHhTTtEEEEE hHHHHhTTttTTTTtEEE  summary  
  sequence  SYAANCIWVNERVIMPAGYPRTREKIARLGYRVIEVDTSEYRKIDGGVSSMSLRF  sequence 
                   210       220       230       240       250