Secondary structure calculation program - copyright by David Keith Smith, 1989
 1hztA.pdb                                                   
 1HZT  ISOMERASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  153
             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  31    LEU L                    0    0  999.9  145.1  179.8  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  5 19
    2 A  32    HIS H   E E  Aa     -   86    0 -127.4  151.2  179.8 -119.7 999.9 158.4   85 -1.2   87 -2.8    0  0.0    0  0.0  6 25
    3 A  33    LEU L   E E  Aa     +   87    0  -92.1  135.4 -179.8  143.6  45.7 138.0    0  0.0    0  0.0    0  0.0    0  0.0  9 32
    4 A  34    ALA A     e         -    0    0 -152.7 -175.9  179.1 -146.7  29.0 149.9   87 -2.2    0  0.0    0  0.0    0  0.0 13 46
    5 A  35    PHE F   E E  BB     -   38    0 -156.8  161.5  178.4 -153.0   2.1 167.5   38 -2.2   38 -1.8    0  0.0    0  0.0 15 56
    6 A  36    SER S   E E  BBc    -   37   90 -138.8  146.1  179.4 -163.7  12.2 169.9   89 -1.8   91 -2.6    0  0.0    0  0.0 14 65
    7 A  37    SER S   E E  BBc    -   36   91 -138.3  144.3  178.7 -154.7  12.9 173.5   36 -3.5   36 -1.9    0  0.0    9 -0.5 13 69
    8 A  38    TRP W   E E  B c    -    0   92 -115.1  119.4 -178.7 -158.0  20.9 167.6   91 -2.3   93 -1.8    0  0.0    0  0.0 14 78
    9 A  39    LEU L   E E  B c    -    0   93 -106.4  138.1  179.7 -177.2  10.9 147.2    7 -0.5   17 -2.8    0  0.0    0  0.0 12 70
   10 A  40    PHE F   E E  BAc    -   16   94 -125.9  152.8  177.0 -131.0  19.5 154.6   93 -2.3   95 -2.5    0  0.0    0  0.0 15 57
   11 A  41    ASN N     t     > T -    0    0  -93.7 -178.5 -179.1  -90.2  40.9 111.7   15 -1.9   14 -1.5    0  0.0    0  0.0 11 45
   12 A  42    ALA A   T T     3 TS+    0    0  -60.9  -32.2 -179.7   59.4 126.4  33.7    0  0.0  152 -2.9    0  0.0    0  0.0 11 35
   13 A  43    LYS K   T T     3 TS-    0    0  -73.4  -10.8  178.9 -109.5 119.4  54.1    0  0.0    0  0.0    0  0.0    0  0.0  9 31
   14 A  44    GLY G     t     < T +    0    0   95.2    5.8  178.7  144.0  69.1  57.9   11 -1.5    0  0.0    0  0.0    0  0.0 12 37
   15 A  45    GLN Q               -    0    0  -78.5  146.3  179.3 -126.1  46.8 121.9    0  0.0   11 -1.9    0  0.0    0  0.0 12 40
   16 A  46    LEU L   E E  CDA    -  112   10  -95.0  139.9  178.4 -134.5  12.5 137.8  112 -3.1  112 -2.8    0  0.0   18 -0.7 13 54
   17 A  47    LEU L   E E  CD     -  111    0  -95.3  115.4  177.6 -174.9  23.5 147.5    9 -2.8   35 -0.6    0  0.0    0  0.0 14 59
   18 A  48    VAL V   E E  CDE    -  110   34 -107.3  143.6 -178.0 -163.0   8.4 151.6  110 -2.8  110 -2.4   16 -0.7    0  0.0 12 59
   19 A  49    THR T   E E  CDE    -  109   33 -128.4  159.9  178.5 -136.5  16.9 151.6   33 -2.1   33 -3.1    0  0.0   21 -0.5 14 57
   20 A  50    ARG R   E E  CDE    -  108   32 -116.9  122.6 -179.1 -122.5  29.2 165.4  108 -2.6  107 -2.6    0  0.0  108 -0.9 12 45
   21 A  51    ARG R   E E  CD     -  106    0  -63.2  139.8 -179.6 -101.9  35.0 109.2   31 -2.6   30 -1.1   19 -0.5    0  0.0 15 44
   22 A  52    ALA A     e     > T -    0    0  -62.0  153.2 -179.5 -117.9  24.0 101.9  105 -2.2   25 -1.6    0  0.0   30 -0.6 14 33
   23 A  53    LEU L   T T     3 TS+    0    0  -64.4  -20.9 -179.2   60.7 112.7  45.5    0  0.0    0  0.0    0  0.0    0  0.0  7 26
   24 A  54    SER S   T T     3 TS+    0    0  -86.3   -5.9  179.8  118.7  76.1  59.7    0  0.0    0  0.0    0  0.0    0  0.0  7 20
   25 A  55    LYS K     t     < T -    0    0  -63.2  140.1 -179.4 -136.3  64.9 111.0   22 -1.6    0  0.0    0  0.0    0  0.0 11 30
   26 A  56    LYS K   S S        S+    0    0  -63.7  -45.9 -179.7   38.7  88.3  24.0    0  0.0    0  0.0    0  0.0    0  0.0  5 26
   27 A  57    ALA A   S S        S-    0    0 -113.0  140.3  179.9   -7.4 129.1 153.8    0  0.0    0  0.0    0  0.0    0  0.0  6 37
   28 A  58    TRP W   S t     > TS-    0    0   47.5   49.7  179.6 -169.0  79.7  28.8    0  0.0   31 -1.2    0  0.0    0  0.0 10 40
   29 A  59    PRO P   T T     3 T +    0    0  -68.9  145.7  178.8   14.1  66.6 113.5    0  0.0    0  0.0    0  0.0    0  0.0 10 36
   30 A  60    GLY G   T T     3 TS+    0    0   67.4   17.3 -179.1  138.0  94.5  49.7   21 -1.1    0  0.0   22 -0.6    0  0.0 10 33
   31 A  61    VAL V     e     < T -    0    0 -100.0  139.0  177.8 -123.0  55.4 139.8   28 -1.2   21 -2.6    0  0.0    0  0.0 11 42
   32 A  62    TRP W   E E  CEb    +   20  128  -76.8  137.9 -175.7  148.5  48.4 127.3  127 -0.5  129 -2.1    0  0.0    0  0.0 11 48
   33 A  63    THR T   E E  CE     -   19    0 -156.0 -176.7  178.6  -61.0  46.6 149.3   19 -3.1   19 -2.1    0  0.0    0  0.0 11 58
   34 A  64    ASN N   E E  CE     -   18    0  -72.7  168.9 -176.1  -81.9  69.0 105.5    0  0.0    0  0.0    0  0.0    0  0.0 12 70
   35 A  65    SER S   S e        S-    0    0  -37.5  -62.8 -178.8  -16.9  94.6  37.2   17 -0.6    0  0.0    0  0.0    0  0.0 11 70
   36 A  66    VAL V   E E  BB     +    7    0 -150.7  161.5  179.3  174.8  52.7 167.5    7 -1.9    7 -3.5    0  0.0    0  0.0 13 74
   37 A  67    CYS C   E E  BB     +    6    0 -164.7  149.8 -179.7  131.4  18.6 160.8    0  0.0    0  0.0    0  0.0    0  0.0 11 68
   38 A  68    GLY G   E E  BB     -    5    0 -174.6 -159.0 -173.6  -74.6  47.2 147.3    5 -1.8    5 -2.2    0  0.0    0  0.0 10 54
   39 A  69    HIS H               -    0    0 -130.8  136.4  179.9 -122.4  36.3 174.9    0  0.0    0  0.0    0  0.0    0  0.0  8 39
   40 A  70    PRO P               -    0    0  -74.6  158.8  178.7 -112.2  30.8 111.1    0  0.0    0  0.0    0  0.0    0  0.0 12 33
   41 A  71    GLN Q     t     > T -    0    0  -89.6  153.8 -178.4  -86.9  42.6 127.4    0  0.0   44 -3.0    0  0.0    0  0.0  7 23
   42 A  72    LEU L   T T     3 TS+    0    0  -23.1  -63.8 -179.3   16.8 123.5  43.7    0  0.0    0  0.0    0  0.0    0  0.0  4 16
   43 A  73    GLY G   T T     3 TS+    0    0 -111.6   36.0 -179.2  112.4 102.5  93.5    0  0.0    0  0.0    0  0.0    0  0.0  5 14
   44 A  74    GLU E     t     < T -    0    0 -109.3  143.9  179.5 -120.0  64.8 146.5   41 -3.0    0  0.0    0  0.0    0  0.0  8 18
   45 A  75    SER S     h >     T -    0    0  -76.1  159.6  179.8 -118.3  23.7 112.2    0  0.0   49 -1.7    0  0.0    0  0.0  8 31
   46 A  76    ASN N   H H >     TS+    0    0  -63.9  -39.6 -179.9   55.2 115.3  26.6    0  0.0   50 -2.1    0  0.0    0  0.0 10 42
   47 A  77    GLU E   H H >     TS+    0    0  -60.3  -45.1 -179.9   46.0 108.8  24.1    0  0.0   51 -2.0    0  0.0    0  0.0  8 43
   48 A  78    ASP D   H H >     TS+    0    0  -69.1  -29.8  178.9   56.1 109.2  34.4    0  0.0   52 -2.5    0  0.0    0  0.0  8 38
   49 A  79    ALA A   H H X     TS+    0    0  -67.3  -40.8  179.0   50.2 106.5  25.4   45 -1.7   53 -2.7    0  0.0    0  0.0 13 44
   50 A  80    VAL V   H H X     TS+    0    0  -60.8  -49.4  179.9   47.6 111.9  17.9   46 -2.1   54 -2.4    0  0.0    0  0.0 15 50
   51 A  81    ILE I   H H X     TS+    0    0  -57.7  -44.5 -179.9   49.7 112.8  23.9   47 -2.0   55 -1.7    0  0.0    0  0.0 11 46
   52 A  82    ARG R   H H X     TS+    0    0  -62.7  -45.8 -179.5   43.9 113.3  24.8   48 -2.5   56 -2.2    0  0.0    0  0.0  8 42
   53 A  83    ARG R   H H X    >TS+    0    0  -72.3  -31.9  177.6   57.3 108.4  33.8   49 -2.7   57 -3.1    0  0.0   58 -0.6 12 50
   54 A  84    CYS C   H H X    5TS+    0    0  -63.9  -37.9  178.1   43.8 112.1  25.0   50 -2.4   60 -1.7    0  0.0   58 -1.3 13 56
   55 A  85    ARG R   H H X    5TS+    0    0  -70.9  -41.3 -178.4   46.4 117.1  24.4   51 -1.7   59 -1.0    0  0.0    0  0.0 10 41
   56 A  86    TYR Y   H H <    5TS+    0    0  -68.8  -47.5 -177.8   26.1 124.8  22.4   52 -2.2    0  0.0    0  0.0    0  0.0  8 36
   57 A  87    GLU E   H H <    5TS+    0    0  -87.4  -33.2 -176.3   20.4 139.9  33.8   53 -3.1  102 -2.2    0  0.0    0  0.0 12 46
   58 A  88    LEU L   H H <     T +   90    0 -162.6   72.5 -179.2  166.4  64.3 115.5   90 -1.2   90 -1.4    0  0.0   72 -1.2 11 43
   70 A 100    PRO P   T T     3 TS+    0    0  -63.4  -33.5 -177.8   52.0  75.5  35.9    0  0.0    0  0.0    0  0.0    0  0.0  8 38
   71 A 101    ASP D   T T     3 TS+    0    0  -91.9   14.5  180.0  135.6  74.6  77.2    0  0.0    0  0.0    0  0.0    0  0.0  7 32
   72 A 102    PHE F     e     < T +    0    0  -68.6  125.0  178.2  170.3  25.3 118.1   69 -1.2   88 -2.8    0  0.0    0  0.0 10 41
   73 A 103    ARG R   E E  AG     -   87    0 -131.4  148.3  179.7 -179.8   5.6 165.1    0  0.0    0  0.0    0  0.0    0  0.0  9 37
   74 A 104    TYR Y   E E  AG     -   86    0 -156.1  147.1  177.7 -167.0  25.7 174.1   86 -2.1   86 -2.5    0  0.0    0  0.0 10 37
   75 A 105    ARG R   E E  AG     +   85    0 -132.0  104.5  178.3  160.3  30.9 161.2    0  0.0    0  0.0    0  0.0    0  0.0  8 31
   76 A 106    ALA A   E E  AG     -   84    0 -126.1  155.8 -178.3 -139.7  30.0 156.1   84 -1.8   84 -2.9    0  0.0    0  0.0  8 32
   77 A 107    THR T   E E  AG     -   83    0 -123.1  120.3 -178.9 -136.8  17.5 166.8    0  0.0    0  0.0    0  0.0    0  0.0  9 25
   78 A 108    ASP D     e     > T -    0    0  -71.0  168.0 -174.0  -83.3  40.4  91.9   82 -2.7   81 -1.9    0  0.0    0  0.0  9 30
   79 A 109    PRO P   T T     3 TS+    0    0  -53.9  -14.9  178.7   46.1 126.6  52.6    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   80 A 110    SER S   T T     3 TS-    0    0 -118.0   25.8  176.7  -91.3 125.6  81.8    0  0.0    0  0.0    0  0.0    0  0.0  5 16
   81 A 111    GLY G   S t     < TS+    0    0   89.3   -2.8  178.6  149.4  74.1  67.8   78 -1.9    0  0.0    0  0.0    0  0.0  6 14
   82 A 112    ILE I     e         -    0    0  -64.9  127.8 -178.0 -153.0  34.1 119.5    0  0.0   78 -2.7    0  0.0    0  0.0  8 19
   83 A 113    VAL V   E E  A G    -    0   77 -110.5  139.7 -180.0 -166.5  12.3 149.6    0  0.0    0  0.0    0  0.0    0  0.0  8 23
   84 A 114    GLU E   E E  A G    +    0   76 -129.9  129.7  178.8  178.4   9.0 172.9   76 -2.9   76 -1.8    0  0.0    0  0.0  8 31
   85 A 115    ASN N   E E  A G    +    0   75 -128.6  116.3 -178.0  154.2  25.4 172.0    0  0.0    2 -1.2    0  0.0    0  0.0 10 28
   86 A 116    GLU E   E E  AaG    -    2   74 -149.4  158.0  175.8 -124.6  51.2 169.9   74 -2.5   74 -2.1    0  0.0   88 -0.6 11 34
   87 A 117    VAL V   E E  AaG    -    3   73  -94.2  121.8 -175.7 -178.2  41.9 154.6    2 -2.8    4 -2.2    0  0.0    0  0.0 13 34
   88 A 118    CYS C     e         -    0    0 -133.2   77.9  179.6 -164.1  14.3 127.2   72 -2.8    0  0.0   86 -0.6    0  0.0 13 48
   89 A 119    PRO P     e         -    0    0  -58.4  141.9 -177.8 -136.0  21.4 107.7    0  0.0    6 -1.8    0  0.0    0  0.0 15 48
   90 A 120    VAL V   E E  BcF    -    6   69 -107.8  140.4 -179.5 -174.8  22.2 146.2   69 -1.4   68 -2.5    0  0.0   69 -1.2 14 59
   91 A 121    PHE F   E E  BcF    -    7   67 -129.4  162.9  177.3 -156.7  12.3 149.1    6 -2.6    8 -2.3    0  0.0    0  0.0 13 61
   92 A 122    ALA A   E E  BcF    +    8   66 -136.8  145.8  178.6  158.4  21.4 168.6   66 -1.7   66 -3.0    0  0.0    0  0.0 14 61
   93 A 123    ALA A   E E  Bc     -    9    0 -158.9  168.8  178.7 -111.0  35.6 165.9    8 -1.8   10 -2.3    0  0.0    0  0.0 14 59
   94 A 124    ARG R   E E  Bc     -   10    0 -107.8  142.8  177.6 -121.2  30.9 149.5    0  0.0   63 -2.3    0  0.0    0  0.0 11 52
   95 A 125    THR T   B e   C     -   62    0  -79.0  149.7  179.9 -173.2  21.4 122.9   10 -2.5    0  0.0    0  0.0    0  0.0 13 49
   96 A 126    THR T               +    0    0 -124.2    4.0  179.4   35.5  66.6  71.8   61 -2.7    0  0.0    0  0.0    0  0.0 10 33
   97 A 127    SER S   S S        S-    0    0 -147.1  173.1 -179.9  -77.9  94.1 154.0   61 -0.7    0  0.0    0  0.0    0  0.0  7 26
   98 A 128    ALA A               -    0    0  -76.2  152.7  178.3 -103.7  51.6 114.9    0  0.0    0  0.0    0  0.0    0  0.0  7 29
   99 A 129    LEU L               -    0    0  -74.8  148.6  175.5 -169.9  27.3 116.8    0  0.0    0  0.0    0  0.0    0  0.0  7 39
  100 A 130    GLN Q               -    0    0 -138.5   96.6 -175.9 -138.0  25.9 148.5   58 -2.8    0  0.0    0  0.0    0  0.0  7 30
  101 A 131    ILE I               -    0    0  -68.0  133.2  177.0 -150.4   9.3 109.4    0  0.0  103 -0.9    0  0.0    0  0.0  8 32
  102 A 132    ASN N     t >   > T -    0    0  -98.7  103.0 -177.9 -161.2  10.3 152.0   57 -2.2  106 -2.4    0  0.0  105 -2.1 10 29
  103 A 133    ASP D   T T 4   3 TS+    0    0  -68.8   -0.4  177.0   71.8  83.7  60.6  101 -0.9    0  0.0    0  0.0    0  0.0  8 28
  104 A 134    ASP D   T T 4   3 TS+    0    0  -83.6  -13.6 -178.4   21.5 117.3  50.6    0  0.0    0  0.0    0  0.0    0  0.0  8 30
  105 A 135    GLU E   T e 4   < TS+    0    0 -118.8  -38.4 -177.1   42.7 126.1  45.0  102 -2.1   22 -2.2    0  0.0    0  0.0 10 40
  106 A 136    VAL V   E E    > T -    0    0  -86.6  132.2 -179.1 -134.9  33.2 138.1    0  0.0  117 -1.8    0  0.0  116 -0.7 10 35
  114 A 144    LEU L   H H >   3 TS+    0    0  -54.1  -42.0 -179.1   62.3 102.3  28.9    0  0.0  118 -2.9    0  0.0    0  0.0 11 46
  115 A 145    ALA A   H H >   3 TS+    0    0  -53.6  -41.2  179.9   45.6 106.1  28.4    0  0.0  119 -1.6    0  0.0    0  0.0  6 33
  116 A 146    ASP D   H H >   < TS+    0    0  -70.3  -41.4 -180.0   51.9 111.0  25.8  113 -0.7  120 -2.2    0  0.0    0  0.0  8 30
  117 A 147    VAL V   H H X     TS+    0    0  -62.5  -40.8  179.3   49.7 109.9  24.8  113 -1.8  121 -2.6    0  0.0    0  0.0  9 46
  118 A 148    LEU L   H H X     TS+    0    0  -66.2  -35.9  178.9   51.7 109.3  28.1  114 -2.9  122 -2.2    0  0.0    0  0.0  9 45
  119 A 149    HIS H   H H X     TS+    0    0  -66.6  -37.2  179.6   47.4 111.8  27.4  115 -1.6  123 -1.9    0  0.0    0  0.0  8 26
  120 A 150    GLY G   H H X     TS+    0    0  -69.1  -42.4  179.1   50.4 111.0  24.5  116 -2.2  124 -3.0    0  0.0    0  0.0  9 31
  121 A 151    ILE I   H H <     TS+    0    0  -63.0  -38.1 -179.6   46.6 113.1  27.9  117 -2.6    0  0.0    0  0.0    0  0.0 12 35
  122 A 152    ASP D   H H <     TS+    0    0  -73.9  -34.0 -178.9   39.2 119.4  30.0  118 -2.2    0  0.0    0  0.0    0  0.0  7 27
  123 A 153    ALA A   H H <     TS+    0    0  -82.3  -44.6 -178.1   14.6 133.8  25.8  119 -1.9    0  0.0    0  0.0    0  0.0  6 20
  124 A 154    THR T     h <   > T +    0    0 -133.5   67.6 -179.5  163.4  64.0 121.7  120 -3.0  127 -2.1    0  0.0    0  0.0  8 23
  125 A 155    PRO P   G G     > TS+    0    0  -56.2  -27.4  180.0   70.8  71.5  39.4    0  0.0  128 -1.7    0  0.0    0  0.0 10 27
  126 A 156    TRP W   G G     3 TS+    0    0  -65.7  -14.5 -179.3   66.6  86.0  51.1    0  0.0    0  0.0    0  0.0    0  0.0  6 29
  127 A 157    ALA A   G G     < TS+    0    0  -87.6    3.3 -178.3   54.5 102.3  65.9  124 -2.1   32 -0.5    0  0.0    0  0.0  8 32
  128 A 158    PHE F   B B   b < TS-   32    0 -132.7  167.9  179.1  -79.3  98.7 147.0  125 -1.7    0  0.0    0  0.0    0  0.0 12 44
  129 A 159    SER S     h >     T -    0    0  -64.2  144.8 -179.8 -123.7  42.1 111.7   32 -2.1  133 -1.8    0  0.0    0  0.0 11 52
  130 A 160    PRO P   H H >     TS+    0    0  -61.3  -34.7 -179.7   52.3 109.5  30.0    0  0.0  134 -2.6    0  0.0    0  0.0  9 51
  131 A 161    TRP W   H H >     TS+    0    0  -71.7  -32.4  177.8   54.7 105.3  30.7    0  0.0  135 -2.4    0  0.0    0  0.0  7 58
  132 A 162    MET M   H H >     TS+    0    0  -62.5  -44.9 -179.7   44.2 113.0  19.2    0  0.0  136 -2.4    0  0.0    0  0.0 10 61
  133 A 163    VAL V   H H X     TS+    0    0  -64.4  -49.7 -179.6   47.6 113.9  20.1  129 -1.8  137 -1.4    0  0.0    0  0.0 11 50
  134 A 164    MET M   H H X     TS+    0    0  -60.8  -39.8  179.7   47.0 114.9  27.4  130 -2.6  138 -0.5    0  0.0    0  0.0  8 52
  135 A 165    GLN Q   H H <   > TS+    0    0  -68.1  -45.5 -179.2   48.4 112.3  21.3  131 -2.4  138 -1.0    0  0.0    0  0.0 12 54
  136 A 166    ALA A   H H <   3 TS+    0    0  -69.0  -19.2 -179.5   56.9 107.6  46.9  132 -2.4    0  0.0    0  0.0    0  0.0 11 59
  137 A 167    THR T   H H <   3 TS+    0    0  -89.7  -10.1  177.7  102.6  79.4  55.0  133 -1.4    0  0.0    0  0.0    0  0.0  8 40
  138 A 168    ASN N   S h X   < TS-    0    0  -74.2  123.5 -177.9 -139.9  72.1 129.4  135 -1.0  142 -2.8  134 -0.5    0  0.0  8 34
  139 A 169    ARG R   H H >     TS+    0    0  -51.8  -48.5 -179.1   44.9  98.3  28.0    0  0.0  143 -1.6    0  0.0    0  0.0  7 24
  140 A 170    GLU E   H H >     TS+    0    0  -65.8  -43.5  179.9   47.5 114.8  24.8    0  0.0  144 -1.4    0  0.0    0  0.0  8 26
  141 A 171    ALA A   H H >     TS+    0    0  -64.7  -41.2 -179.3   54.6 109.1  25.5    0  0.0  145 -2.1    0  0.0    0  0.0 12 41
  142 A 172    ARG R   H H X     TS+    0    0  -61.5  -37.6  179.1   54.8 104.5  29.7  138 -2.8  146 -2.2    0  0.0    0  0.0 11 46
  143 A 173    LYS K   H H X     TS+    0    0  -64.4  -37.4  179.3   48.9 108.1  29.1  139 -1.6  147 -1.5    0  0.0    0  0.0  8 30
  144 A 174    ARG R   H H X     TS+    0    0  -69.6  -38.9  178.8   52.5 108.8  27.0  140 -1.4  148 -1.2    0  0.0    0  0.0  9 37
  145 A 175    LEU L   H H <   > TS+    0    0  -61.3  -40.8  180.0   53.6 107.3  22.9  141 -2.1  148 -0.6    0  0.0    0  0.0 11 54
  146 A 176    SER S   H H <   > TS+    0    0  -61.0  -37.7 -180.0   58.1 102.4  28.4  142 -2.2  149 -1.6    0  0.0    0  0.0  9 43
  147 A 177    ALA A   H H <   > TS+    0    0  -62.7  -30.5 -179.9   59.3  99.1  34.9  143 -1.5  150 -1.1    0  0.0    0  0.0  7 36
  148 A 178    PHE F   T h <   < TS+    0    0  -79.3    1.1  179.5   74.7  87.8  63.6  144 -1.2    0  0.0  145 -0.6    0  0.0 11 47
  149 A 179    THR T   T T     < TS+    0    0  -89.1   -5.6  179.3  113.0  70.7  57.6  146 -1.6    0  0.0    0  0.0    0  0.0 13 35
  150 A 180    GLN Q   S t     < TS-    0    0  -66.0  141.8  178.0 -106.4  80.4 111.8  147 -1.1    0  0.0    0  0.0    0  0.0  8 27
  151 A 181    LEU L               -    0    0  -69.8  128.5  179.4 -156.4  35.7 123.4    0  0.0  153 -0.6    0  0.0    0  0.0  7 23
  152 A 182    LYS K                    0    0 -115.1  111.1  179.7  999.9 999.9 156.6   12 -2.9    0  0.0    0  0.0    0  0.0  6 21
  153 A 183    LEU L                    0    0  -95.3  999.9  999.9  999.9 999.9 135.5  151 -0.6    0  0.0    0  0.0    0  0.0  3 15
 
 1hztA.pdb                                                   
 1HZT  ISOMERASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand   EE EEEEEE TT  EEEEEE TT SSSTT EEESEEE   TT  HHHHHHHHHHHHH   BS  EEEETT EEEEE TTS EEEEE  EEEEEB S     Kabs/Sand
 chirality   -+--------+-+--------++-+--++-+---++----++--++++++++++++-+-------++++++--+---+-+--++------+---+----  chirality
     bends             SS         SS SSS S    S      SS  SSSSSSSSSSSSS    S    S SS       SSS               S     bends    
     turns            TTTT       TTTT  TTTT         TTTTTTTTTTTTTTTTTTT         TTTT     TTTT                     turns    
   5-turns                                                      >5555<                                            5-turns  
   3-turns            >33<       >33<  >33<         >33<                        >33<     >33<                     3-turns  
  bridge-2       ccccc     A EEE           b                                                  GGGGG  FFF          bridge-2 
  bridge-1   aa BBB  A     DDDDDD          EEE BBB                       C   FF*F   GGGGG        aa  cccccC       bridge-1 
    sheets   AA BBBBBB     CCCCCC          CCC BBB                           BBBB   AAAAA     AAAAA  BBBBB        sheets   
   4-turns                                              >>>>XXXXXXX<<<<                                           4-turns  
   summary   EEeEEEEEEtTTt EEEEEEeTTtSStTTeEEEeEEE  tTTthHHHHHHHHHHHHHh  BS  EEEETTeEEEEEeTTteEEEEEeeEEEEEe S     summary  
  sequence  LHLAFSSWLFNAKGQLLVTRRALSKKAWPGVWTNSVCGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFRYRATDPSGIVENEVCPVFAARTTSALQ  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                         author   
 Kabs/Sand    TTTEEEEEEE HHHHHHHHHH GGGB HHHHHHHHSHHHHHHHHHTTS     Kabs/Sand
 chirality  --++++----+--++++++++++++++--++++++++-+++++++++++--    chirality
     bends    SSS S      SSSSSSSSSS SSSS SSSSSSSSSSSSSSSSSSSSS     bends    
     turns   TTTTT      TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT     turns    
   5-turns                                                         5-turns  
   3-turns   >33<       >33<       >>3<<      >33<      >>><<<     3-turns  
  bridge-2                                                         bridge-2 
  bridge-1       D*DDDDD               b                           bridge-1 
    sheets       CCCCCCC                                           sheets   
   4-turns   >444<      >>>>XXXX<<<<    >>>>XX<<>>XXX<<<<       4-turns  
   summary   tTTeEEEEEEEhHHHHHHHHHHhGGGBhHHHHHHHHhHHHHHHHHHhTt     summary  
  sequence  INDDEVMDYQWCDLADVLHGIDATPWAFSPWMVMQATNREARKRLSAFTQLKL  sequence 
                   110       120       130       140       150