Secondary structure calculation program - copyright by David Keith Smith, 1989
 1prr-.pdb                                                   
 1PRR  BINDING PROTEIN  DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT PROTEIN  (MYXOCOCCUS XANTHUS)  
 Sequence length -  173
             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  158.4  180.0  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  2 21
    2     2    ALA A               +    0    0 -149.4  172.9 -180.0  179.3 999.9 158.3    0  0.0    0  0.0    0  0.0    0  0.0  8 31
    3     3    ASN N               -    0    0  180.0  123.7  180.0 -123.2  27.5 134.1    0  0.0    0  0.0    0  0.0    0  0.0  9 36
    4     4    ILE I   E E  AA     -   19    0  -74.5  141.3  180.0 -153.1  23.3 119.9   19 -1.6   19 -3.1    0  0.0    6 -0.5 13 51
    5     5    THR T   E E  AAB    -   18   43 -120.3  112.8 -179.9 -168.2  11.6 159.9   43 -1.5   43 -1.9    0  0.0    0  0.0 11 49
    6     6    VAL V   E E  AAB    -   17   42  -91.2  174.9  179.9 -137.1  10.3 110.6   17 -2.0   17 -1.3    4 -0.5    0  0.0 12 59
    7     7    PHE F   E E  AAB    -   16   41 -133.9  147.1 -179.7 -140.7   9.3 169.5   41 -1.6   41 -1.2    0  0.0   40 -0.6 16 40
    8     8    TYR Y   S e        S+    0    0  -75.2  -37.5 -179.9   44.0  86.4  29.1   15 -2.6    0  0.0   14 -0.6    0  0.0 12 36
    9     9    ASN N   S S        S-    0    0 -107.5  162.7  179.9 -101.1  91.0 133.4   13 -1.5    0  0.0    0  0.0    0  0.0 12 33
   10    10    GLU E   S t     > TS+    0    0  -72.1  169.5 -180.0   51.3  99.4 102.0    0  0.0   13 -1.0    0  0.0    0  0.0 11 36
   11    11    ASP D   T T     3 TS-    0    0   71.0   34.0  179.9  -72.3 131.0  29.6    0  0.0    0  0.0    0  0.0    0  0.0  8 37
   12    12    PHE F   T T     3 TS+    0    0   60.5   -2.3  180.0  118.3 110.6  61.6   70 -0.6    0  0.0    0  0.0    0  0.0 11 40
   13    13    GLN Q     t     < T +    0    0  -88.5  174.5  180.0   68.5  33.8 109.1   10 -1.0    9 -1.5    0  0.0    0  0.0  9 26
   14    14    GLY G   S S        S-    0    0   91.1  137.4 -179.9  -47.0  96.6  70.4    0  0.0    8 -0.6    0  0.0    0  0.0  8 25
   15    15    LYS K     e         -    0    0  -33.3  143.1 -179.8 -144.7  65.2  84.0    0  0.0    8 -2.6    0  0.0    0  0.0  7 25
   16    16    GLN Q   E E  AA     -    7    0 -115.6  168.9  180.0 -158.2  12.4 133.6    0  0.0    0  0.0    0  0.0    0  0.0  8 33
   17    17    VAL V   E E  AA     -    6    0 -148.9  132.6 -179.9 -136.4  13.7 168.1    6 -1.3    6 -2.0    0  0.0   19 -0.5  7 37
   18    18    ASP D   E E  AA     -    5    0  -93.7  126.0  179.9 -173.7  21.7 141.5    0  0.0    0  0.0    0  0.0    0  0.0  8 38
   19    19    LEU L   E E  AA     -    4    0 -121.4  126.9  180.0 -124.9  21.9 166.2    4 -3.1    4 -1.6   17 -0.5    0  0.0  7 48
   20    20    PRO P               -    0    0  -63.8  158.6  179.9  -95.8  36.4 102.0    0  0.0    0  0.0    0  0.0    0  0.0  7 38
   21    21    PRO P   S S        S+    0    0  -58.6 -167.5  180.0   84.8  76.8  74.9    0  0.0    0  0.0    0  0.0    0  0.0 13 37
   22    22    GLY G   E E  BC    S-   84    0   96.5  173.8 -180.0  -65.7  83.4 106.2   84 -1.4   84 -1.5    0  0.0    0  0.0  7 34
   23    23    ASN N   E E  BC     +   83    0 -106.3  128.6  179.9  148.9  62.0 152.5    0  0.0    0  0.0    0  0.0    0  0.0  8 36
   24    24    TYR Y   E E  BC     -   82    0 -146.4  177.5 -179.9 -157.2  23.5 152.9   82 -1.7   82 -1.7    0  0.0    0  0.0 10 37
   25    25    THR T     h >     T -    0    0 -139.9 -160.9  180.0  -57.4  56.3 128.0    0  0.0   29 -2.0    0  0.0    0  0.0 12 39
   26    26    ARG R   H H >     TS+    0    0  -60.2  -20.5  179.9   68.4 125.7  40.8    0  0.0   30 -2.5    0  0.0    0  0.0 12 33
   27    27    ALA A   H H >     TS+    0    0  -62.6  -63.6 -179.9   36.2 104.0   5.4    0  0.0   31 -1.3    0  0.0    0  0.0  7 25
   28    28    GLN Q   H H >   > TS+    0    0  -56.3  -45.0  179.9   54.1 117.7  20.7    0  0.0   32 -1.4    0  0.0   31 -1.0  8 28
   29    29    LEU L   H H X   3 TS+    0    0  -56.2  -41.4  179.9   61.9  99.0  24.5   25 -2.0   33 -1.7    0  0.0    0  0.0 12 39
   30    30    ALA A   H H <   3 TS+    0    0  -52.9  -34.2  179.9   54.1 101.6  29.3   26 -2.5    0  0.0    0  0.0    0  0.0  9 22
   31    31    ALA A   H H <   < TS+    0    0  -67.5  -38.0  179.9   38.9 115.3  26.9   27 -1.3    0  0.0   28 -1.0    0  0.0  6 18
   32    32    LEU L   H H <     TS-    0    0  -75.1  -73.3  180.0 -118.6 105.9  10.2   28 -1.4    0  0.0    0  0.0    0  0.0  6 23
   33    33    GLY G   S h <     TS+    0    0  158.5  -35.2 -179.9   99.2  76.5  87.5   29 -1.7    0  0.0    0  0.0    0  0.0  6 26
   34    34    ILE I               +    0    0  -80.4  142.6 -179.9  140.8  44.7 123.8    0  0.0    0  0.0    0  0.0    0  0.0  7 39
   35    35    GLU E               +    0    0 -170.2  165.6  179.9   16.0  42.1 169.1    0  0.0    0  0.0    0  0.0    0  0.0 10 42
   36    36    ASN N   S S        S+    0    0   62.9 -137.7 -179.7    8.1 119.1 109.8   79 -0.7   38 -1.2    0  0.0    0  0.0  9 40
   37    37    ASN N   S S        S+    0    0  -80.4   98.5  179.9   94.3  99.0 128.5    0  0.0    0  0.0    0  0.0    0  0.0 10 41
   38    38    THR T               +    0    0 -154.7  -24.5  180.0   88.6  50.5  65.7   36 -1.2   40 -1.7    0  0.0    0  0.0 13 50
   39    39    ILE I               +    0    0  -78.1   44.1  180.0  153.5  48.0  96.3    0  0.0    0  0.0    0  0.0    0  0.0 11 59
   40    40    SER S               +    0    0  -38.5  -50.6  179.9   13.7  67.8  30.3   38 -1.7    0  0.0    7 -0.6    0  0.0 16 46
   41    41    SER S   E E  AB    S-    7    0 -123.2  175.8 -179.9 -149.6  72.6 135.7    7 -1.2    7 -1.6    0  0.0    0  0.0 16 58
   42    42    VAL V   E E  ABD    -    6   69 -152.1  144.7  179.8 -167.1  11.8 174.9   69 -2.3   69 -0.6    0  0.0    0  0.0 14 66
   43    43    LYS K   E E  ABD    +    5   68 -132.9   95.4 -179.7  166.0  19.6 146.8    5 -1.9    5 -1.5    0  0.0    0  0.0 11 58
   44    44    VAL V     e         -    0    0 -116.9  110.8  179.8 -151.5  20.9 156.5   67 -1.2    0  0.0    0  0.0    0  0.0 15 55
   45    45    PRO P     t     > T -    0    0  -70.7  168.6  179.9  -85.4  32.8 100.2    0  0.0   48 -0.7    0  0.0    0  0.0 10 47
   46    46    PRO P   T T     3 TS+    0    0  -62.7 -178.4  179.8   63.1 103.4  84.2    0  0.0    0  0.0    0  0.0    0  0.0 11 42
   47    47    GLY G   T e     3 TS+    0    0   83.6  -21.2  180.0   58.3 104.2  79.1    0  0.0   87 -2.8    0  0.0    0  0.0 10 32
   48    48    VAL V   E E  BE < T -   86    0 -145.9  133.5  180.0 -148.8  69.5 170.0   45 -0.7    0  0.0    0  0.0    0  0.0 15 41
   49    49    LYS K   E E  BE     -   85    0 -102.4  136.9 -179.9 -156.6  15.7 146.7   85 -1.8   85 -2.1    0  0.0    0  0.0 13 46
   50    50    ALA A   E E  BEF    -   84   65 -114.1  150.4  179.9 -167.2   8.0 147.3   65 -3.0   65 -3.0    0  0.0    0  0.0 14 52
   51    51    ILE I   E E  BEF    -   83   64 -137.0  114.3 -179.8 -155.4  10.2 160.5   83 -1.6   83 -2.5    0  0.0    0  0.0 11 55
   52    52    LEU L   E E  BEF    -   82   63  -90.0  155.7  180.0 -160.2   2.2 123.3   63 -0.8   63 -2.3    0  0.0    0  0.0 12 62
   53    53    TYR Y   E E  BEF    -   81   62 -138.1  112.0 -179.9 -154.2   8.3 158.2   81 -2.8   81 -1.7    0  0.0   80 -0.8 16 44
   54    54    GLN Q   S e        S+    0    0  -46.0  -84.5 -179.9   47.9  81.7  19.5   61 -2.5   81 -0.7    0  0.0    0  0.0 14 38
   55    55    ASN N   S t >     TS-    0    0  -59.9  146.0  180.0 -103.4 100.2 105.2    0  0.0   59 -2.5    0  0.0    0  0.0 12 33
   56    56    ASP D   T T 4     TS+    0    0  -58.0 -177.2  180.0   53.3 103.3  83.7    0  0.0    0  0.0    0  0.0    0  0.0 12 35
   57    57    GLY G   T T 4     TS-    0    0   57.0   27.2  180.0  -68.7 135.9  35.8    0  0.0    0  0.0    0  0.0    0  0.0  7 28
   58    58    PHE F   T T 4     TS+    0    0   56.5   57.3 -180.0  124.3 104.4  13.7    0  0.0    0  0.0    0  0.0    0  0.0 13 32
   59    59    ALA A     t <     T +    0    0 -136.9  179.1 -180.0   46.7  31.4 143.1   55 -2.5    0  0.0    0  0.0    0  0.0 10 25
   60    60    GLY G   S S        S-    0    0   74.6  175.7  180.0   -8.8 107.0  92.9    0  0.0    0  0.0    0  0.0    0  0.0  8 28
   61    61    ASP D   S e        S-    0    0  -43.9  125.0 -180.0 -154.2  77.8  98.7    0  0.0   54 -2.5    0  0.0    0  0.0  8 29
   62    62    GLN Q   E E  BF     -   53    0 -109.1  150.7  179.9 -161.2   9.2 143.3    0  0.0    0  0.0    0  0.0    0  0.0 10 36
   63    63    ILE I   E E  BF     -   52    0 -125.1  164.0  179.9 -154.2   3.4 146.2   52 -2.3   52 -0.8    0  0.0    0  0.0  8 50
   64    64    GLU E   E E  BF     +   51    0 -141.9  131.4 -179.9  158.7  20.6 172.4    0  0.0    0  0.0    0  0.0    0  0.0  8 55
   65    65    VAL V   E E  BF     +   50    0 -149.6  162.7  179.9  176.5  27.7 167.6   50 -3.0   50 -3.0    0  0.0    0  0.0 11 58
   66    66    VAL V   S S        S+    0    0 -141.1  -12.1  179.8   43.7  78.3  69.2    0  0.0    0  0.0    0  0.0    0  0.0 11 53
   67    67    ALA A   S e        S-    0    0 -117.7 -156.7  180.0  -55.4 107.3 106.8    0  0.0   44 -1.2    0  0.0   69 -0.7 12 58
   68    68    ASN N   E E  AD     -   43    0  -93.7  116.3  180.0 -152.1  47.0 142.6    0  0.0   70 -0.7    0  0.0    0  0.0 14 58
   69    69    ALA A   E E  AD     -   42    0  -89.5  116.1 -179.9 -176.8  13.2 139.7   67 -0.7   42 -2.3   42 -0.6    0  0.0 14 57
   70    70    GLU E   S S        S+    0    0  -73.8  -75.8 -179.9   17.9  84.4   9.7   68 -0.7   12 -0.6    0  0.0    0  0.0 14 56
   71    71    GLU E   S S        S-    0    0  -73.1   -9.9  180.0 -160.0  89.4  52.9    0  0.0   73 -2.2    0  0.0    0  0.0 14 50
   72    72    LEU L               -    0    0   66.7  -81.9 -180.0  -70.9  43.8 113.6    0  0.0    0  0.0    0  0.0    0  0.0 11 56
   73    73    GLY G     g     > T -    0    0  175.5 -178.5 -179.9  -75.3  46.3 169.6   71 -2.2   76 -0.9    0  0.0    0  0.0  9 48
   74    74    PRO P   G G     > TS+    0    0  -70.4  -35.0 -179.9   61.9 119.4  33.4    0  0.0   77 -0.7    0  0.0    0  0.0  5 36
   75    75    LEU L   G G     > T +    0    0  -77.5   16.0  179.9  111.8  66.9  74.0    0  0.0   78 -1.8    0  0.0    0  0.0  8 40
   76    76    ASN N   G G     < T +    0    0  -65.9   -2.3 -180.0   79.2  59.8  55.8   73 -0.9    0  0.0    0  0.0    0  0.0 11 46
   77    77    ASN N   G G     < TS+    0    0  -84.9    4.1 -180.0   23.3 104.6  65.7   74 -0.7    0  0.0    0  0.0    0  0.0  9 33
   78    78    ASN N     g     < T +    0    0 -170.3  122.4  180.0  155.1  68.1 141.5   75 -1.8    0  0.0    0  0.0    0  0.0 10 40
   79    79    VAL V               +    0    0 -147.3  160.2  180.0  131.8  15.6 167.4    0  0.0   36 -0.7    0  0.0    0  0.0 16 50
   80    80    SER S               +    0    0 -175.3  -41.0 -179.9   69.6  60.5  77.9   53 -0.8    0  0.0    0  0.0    0  0.0 14 49
   81    81    SER S   E E  B E    +    0   53 -101.6  138.5 -180.0  165.0  54.2 143.8   53 -1.7   53 -2.8   54 -0.7    0  0.0 16 48
   82    82    ILE I   E E  BCE    -   24   52 -146.1  160.4 -179.9 -161.4  19.0 166.4   24 -1.7   24 -1.7    0  0.0    0  0.0 12 58
   83    83    ARG R   E E  BCE    +   23   51 -150.2  119.2  179.9  177.9   9.0 155.5   51 -2.5   51 -1.6    0  0.0    0  0.0 13 46
   84    84    VAL V   E E  BCE    -   22   50 -123.7  137.6  180.0 -175.5   3.1 165.0   22 -1.5   22 -1.4    0  0.0    0  0.0 11 43
   85    85    ILE I   E E  B E    -    0   49 -135.1  128.9 -180.0  -98.8  37.4 172.4   49 -2.1   49 -1.8    0  0.0    0  0.0  9 32
   86    86    SER S   E E  B E    -    0   48  -41.8  136.4 -180.0 -167.5  45.5  93.9    0  0.0    0  0.0    0  0.0    0  0.0  8 29
   87    87    VAL V     e         -    0    0 -133.5  148.8 -180.0  -89.9  28.8 165.6   47 -2.8    0  0.0    0  0.0    0  0.0  8 30
   88    88    PRO P               -    0    0  -54.5  139.8 -179.9 -109.5  48.9 103.0    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   89    89    VAL V               +    0    0  -77.1  133.3  180.0  174.1  43.9 124.1    0  0.0    0  0.0    0  0.0    0  0.0  7 28
   90    90    GLN Q               -    0    0 -137.6  153.3  179.9 -105.8  31.6 164.1    0  0.0    0  0.0    0  0.0    0  0.0  8 29
   91    91    PRO P               +    0    0  -59.4 -162.9 -180.0  176.1  41.5  74.3    0  0.0    0  0.0    0  0.0    0  0.0  9 31
   92    92    ARG R               -    0    0 -177.6 -161.6  179.8  -96.3  22.8 159.1    0  0.0  136 -1.5    0  0.0  135 -0.8 13 46
   93    93    ALA A   E E  CG     -  108    0 -135.0  176.0 -179.9 -139.2  20.4 144.7  108 -1.0  108 -1.1    0  0.0    0  0.0 16 52
   94    94    ARG R   E E  CG     -  107    0 -147.1  128.1  180.0 -168.3   9.1 164.6    0  0.0  132 -2.8    0  0.0    0  0.0 12 60
   95    95    PHE F   E E  CGA    -  106  131 -116.2  133.2  180.0 -149.6  12.5 160.3  106 -2.8  106 -2.2    0  0.0    0  0.0 13 60
   96    96    PHE F               -    0    0  -90.1 -179.2  180.0 -136.0   8.6 106.3  130 -2.6    0  0.0    0  0.0    0  0.0 18 42
   97    97    TYR Y   S S        S+    0    0 -101.5  -80.8 -180.0   50.2  78.1  36.8  103 -0.9    0  0.0    0  0.0    0  0.0 13 38
   98    98    LYS K   S t >     TS-    0    0  -59.7  149.8 -179.9  -92.8 101.2 103.1    0  0.0  100 -1.4    0  0.0  102 -0.8 13 29
   99    99    GLU E   T T 4     TS+    0    0  -69.7   94.8 -180.0   43.1 116.1 120.8    0  0.0    0  0.0    0  0.0    0  0.0 13 31
  100   100    GLN Q   T T 4     TS-    0    0  134.2   49.7 -179.9  -83.1 123.7  61.1   98 -1.4    0  0.0    0  0.0    0  0.0 12 25
  101   101    PHE F   T T 4     TS+    0    0   32.2   33.0 -179.9  124.0  99.2  40.9    0  0.0    0  0.0    0  0.0    0  0.0 12 29
  102   102    ASP D     t <     T +    0    0 -110.5   38.4 -180.0   67.8  53.4  98.9   98 -0.8    0  0.0    0  0.0    0  0.0  8 23
  103   103    GLY G   S S        S-    0    0 -154.6  151.3 -180.0  -64.6  98.0 174.4    0  0.0   97 -0.9    0  0.0    0  0.0  9 30
  104   104    LYS K               -    0    0  -33.0  139.7 -179.8 -133.8  57.6  85.3    0  0.0    0  0.0    0  0.0    0  0.0  7 33
  105   105    GLU E               -    0    0 -104.4  160.0  180.0 -160.0  15.8 131.9    0  0.0    0  0.0    0  0.0    0  0.0  9 46
  106   106    VAL V   E E  CG     -   95    0 -139.1  134.0 -179.8 -147.5   8.0 177.0   95 -2.2   95 -2.8    0  0.0    0  0.0 10 56
  107   107    ASP D   E E  CG     -   94    0 -103.2  155.4  180.0 -169.3   9.3 134.6    0  0.0    0  0.0    0  0.0    0  0.0 11 61
  108   108    LEU L   E E  CG     -   93    0 -145.8  122.4  179.9 -131.0  17.8 162.8   93 -1.1   93 -1.0    0  0.0    0  0.0 11 60
  109   109    PRO P               -    0    0  -65.2  166.8 -179.9  -72.0  46.7  98.0    0  0.0    0  0.0    0  0.0    0  0.0 12 50
  110   110    PRO P   S S        S+    0    0  -58.0  150.8  179.9   72.2  88.3  99.1    0  0.0    0  0.0    0  0.0    0  0.0 12 45
  111   111    GLY G   E E  DH    S-  172    0  134.5 -175.7  179.9  -63.7  79.0 144.8  172 -1.5  172 -2.6    0  0.0    0  0.0  7 39
  112   112    GLN Q   E E  DH     -  171    0 -109.3  156.4  180.0 -167.6  40.8 140.2    0  0.0    0  0.0    0  0.0    0  0.0  8 41
  113   113    TYR Y   E E  DH     -  170    0 -143.4  152.3 -179.9 -144.4   9.0 172.1  170 -2.3  170 -1.2    0  0.0    0  0.0 10 43
  114   114    THR T               -    0    0  -93.0 -148.8 -180.0  -90.5  39.7  81.0    0  0.0    0  0.0    0  0.0    0  0.0 12 37
  115   115    GLN Q   S S        S+    0    0 -108.5   -2.8 -179.9   50.0 115.2  64.3    0  0.0    0  0.0    0  0.0    0  0.0 11 36
  116   116    ALA A   S t >     TS+    0    0  -99.6  -62.5 -179.8   26.7 118.1  27.7    0  0.0  120 -1.7    0  0.0    0  0.0  6 36
  117   117    GLU E   T T 4     TS+    0    0  -67.0  -51.8 -180.0   64.4 114.4  14.8    0  0.0    0  0.0    0  0.0    0  0.0  9 47
  118   118    LEU L   T h >   > TS+    0    0  -34.5  -70.7  180.0   37.9 109.2  27.2    0  0.0  121 -2.3    0  0.0  122 -1.3 13 53
  119   119    GLU E   H H >   > TS+    0    0  -49.1  -61.5 -179.8   40.2 124.2  16.2    0  0.0  122 -1.2    0  0.0  123 -0.8 11 48
  120   120    ARG R   H H <   3 TS+    0    0  -75.8   20.7  179.9   58.5 114.9  77.6  116 -1.7    0  0.0    0  0.0    0  0.0 13 44
  121   121    TYR Y   H H 4   < TS-    0    0 -122.0  -15.6 -180.0   -9.0 131.5  58.7  118 -2.3    0  0.0    0  0.0    0  0.0 14 61
  122   122    GLY G   H H <   < TS-    0    0 -149.7  -41.2 -179.9  -19.6 129.7  64.3  118 -1.3    0  0.0  119 -1.2    0  0.0 14 61
  123   123    ILE I   S h <     TS-    0    0 -139.1 -106.6  179.9 -106.5  74.9  85.3  119 -0.8    0  0.0    0  0.0    0  0.0 13 53
  124   124    ASP D               -    0    0 -172.4 -158.8 -179.8  -48.2  50.6 153.6    0  0.0    0  0.0    0  0.0    0  0.0 11 44
  125   125    ASN N   S S        S+    0    0  -58.1  -81.0 -180.0    1.2 119.0  11.6    0  0.0  127 -0.6    0  0.0    0  0.0  9 39
  126   126    ASN N   S S        S+    0    0 -115.8  117.8 -179.9   85.6  99.8 160.3    0  0.0    0  0.0    0  0.0    0  0.0  6 43
  127   127    THR T               +    0    0  174.0   -0.9 -180.0   97.5  57.2  72.7  125 -0.6    0  0.0    0  0.0    0  0.0  8 44
  128   128    ILE I               +    0    0  -67.9  -82.6  179.9  139.4  41.2  11.4    0  0.0    0  0.0    0  0.0    0  0.0 13 55
  129   129    SER S               +    0    0   76.4 -136.6 -179.8   49.5  52.7 122.2    0  0.0    0  0.0    0  0.0    0  0.0 14 50
  130   130    SER S   S S        S-    0    0  -38.5  129.0  179.9 -164.8  74.1  91.5    0  0.0   96 -2.6    0  0.0    0  0.0 16 45
  131   131    VAL V   B B   AB    -   95  157 -121.0  158.7 -179.9 -176.2  17.3 147.8  157 -2.9  157 -1.5    0  0.0    0  0.0 14 54
  132   132    LYS K               -    0    0 -158.0   97.6 -179.9 -145.5  17.9 133.8   94 -2.8    0  0.0    0  0.0    0  0.0 12 47
  133   133    PRO P               -    0    0  -67.6  123.0 -179.9 -158.9   3.5 119.3    0  0.0    0  0.0    0  0.0    0  0.0 13 41
  134   134    GLN Q   S S        S-    0    0  -81.3   -1.7 -179.9  -28.0  81.6  60.6    0  0.0    0  0.0    0  0.0    0  0.0  8 35
  135   135    GLY G   S S        S+    0    0 -176.2  -46.7 -179.9   55.8 123.2  79.5   92 -0.8    0  0.0    0  0.0    0  0.0  7 29
  136   136    LEU L   S S        S-    0    0  -99.1  178.8  179.9  -96.1  83.8 113.7   92 -1.5    0  0.0    0  0.0    0  0.0 11 32
  137   137    ALA A   E E  DI     -  173    0  -98.3  138.0 -179.8 -142.6  33.6 143.4  173 -3.2  173 -1.9    0  0.0    0  0.0 12 36
  138   138    VAL V   E E  DIJ    -  172  153 -101.1  145.4  180.0 -167.9  12.3 139.4  153 -1.7  153 -2.0    0  0.0    0  0.0 14 48
  139   139    VAL V   E E  DIJ    -  171  152 -134.1  121.2 -179.9 -156.7   5.8 167.5  171 -0.8  171 -1.9    0  0.0    0  0.0 13 54
  140   140    LEU L   E E  DIJ    -  170  151  -99.9  140.3  179.9 -157.7   4.3 141.5  151 -1.4  151 -2.8    0  0.0    0  0.0 14 58
  141   141    PHE F   E E  DIJ    -  169  150 -118.6  128.9 -180.0 -155.6   7.0 163.6  169 -3.0  168 -1.7    0  0.0  169 -1.5 17 41
  142   142    LYS K   S e        S+    0    0  -63.0  -77.0 -180.0   45.0  77.9   6.1  149 -2.2    0  0.0    0  0.0    0  0.0 15 37
  143   143    ASN N   S S        S-    0    0  -56.9 -178.9 -179.9  -83.6 103.3  84.0  147 -0.9  169 -0.8    0  0.0    0  0.0 11 30
  144   144    ASP D   S t     > TS+    0    0  -64.5 -144.3 -179.9   31.7 106.9  61.5    0  0.0  147 -1.8    0  0.0    0  0.0 11 30
  145   145    ASN N   T T     3 TS-    0    0  -13.4   73.8  179.9  -63.5 133.0  70.4    0  0.0    0  0.0    0  0.0    0  0.0  9 27
  146   146    PHE F   T T     3 TS+    0    0   31.8   64.5  180.0  130.2 104.7  30.8    0  0.0    0  0.0    0  0.0    0  0.0 13 30
  147   147    SER S     t     < T +    0    0 -135.4  174.6 -180.0   29.8  36.6 146.2  144 -1.8  143 -0.9    0  0.0    0  0.0  9 25
  148   148    GLY G   S S        S-    0    0   70.6 -163.5 -180.0   -8.9 108.6 104.6    0  0.0    0  0.0    0  0.0    0  0.0  8 23
  149   149    ASP D   S e        S-    0    0  -59.8  165.3 -180.0 -157.2  72.9  96.0    0  0.0  142 -2.2    0  0.0    0  0.0  7 23
  150   150    THR T   E E  DJ     -  141    0 -148.0  156.5  180.0 -147.1  21.9 171.6    0  0.0    0  0.0    0  0.0    0  0.0 10 32
  151   151    LEU L   E E  DJ     -  140    0 -125.8   78.9 -179.9 -159.7  19.4 134.6  140 -2.8  140 -1.4    0  0.0  153 -0.7  7 40
  152   152    PRO P   E E  DJ     -  139    0  -61.6  103.3  179.9 -158.4   3.7 114.9    0  0.0  154 -1.6    0  0.0    0  0.0  8 36
  153   153    VAL V   E E  DJ     +  138    0  -87.0   83.3 -179.9  164.5  23.9 127.2  138 -2.0  138 -1.7  151 -0.7    0  0.0 10 41
  154   154    ASN N               +    0    0  -84.5   20.0 -180.0   15.5  65.3  79.0  152 -1.6    0  0.0    0  0.0    0  0.0  7 31
  155   155    SER S   S S        S-    0    0 -170.4 -178.1 -180.0  -42.5 103.2 167.1    0  0.0    0  0.0    0  0.0    0  0.0  8 27
  156   156    ASP D               +    0    0  -60.8  145.2  179.9  170.5  44.6 105.5    0  0.0    0  0.0    0  0.0    0  0.0  8 32
  157   157    ALA A   B B   B     +  131    0 -157.2   64.0 -179.9  169.9   8.6 108.8  131 -1.5  131 -2.9    0  0.0  159 -0.6  9 37
  158   158    PRO P   S S        S+    0    0  -65.6   23.4  179.9   47.2  75.7  80.7    0  0.0    0  0.0    0  0.0    0  0.0 10 34
  159   159    THR T               +    0    0 -170.0   96.6  179.8  119.0  57.8 121.7  157 -0.6    0  0.0    0  0.0    0  0.0 10 30
  160   160    LEU L               +    0    0 -123.8  -53.6  179.9  134.4  27.9  50.2    0  0.0    0  0.0    0  0.0    0  0.0 11 38
  161   161    GLY G   S S        S+    0    0   35.9 -120.0 -179.9   32.9  74.4  91.3    0  0.0  163 -1.0    0  0.0    0  0.0 10 33
  162   162    ALA A   S S        S+    0    0  -65.1  101.1  179.9  102.6  90.4 117.3    0  0.0    0  0.0    0  0.0    0  0.0  6 26
  163   163    MET M   S S        S+    0    0 -142.1  -68.4  179.9    6.8  82.9  67.7  161 -1.0    0  0.0    0  0.0    0  0.0  5 29
  164   164    ASN N   S S        S-    0    0  -91.3 -108.4  179.9 -103.4  85.8  47.5    0  0.0    0  0.0    0  0.0    0  0.0  6 33
  165   165    ASN N   S S        S-    0    0 -153.6  -43.3  180.0  -18.7  83.6  68.5    0  0.0    0  0.0    0  0.0    0  0.0  6 29
  166   166    ASN N               -    0    0 -179.2   95.4 -179.9 -126.6  61.1 114.6    0  0.0    0  0.0    0  0.0    0  0.0  7 39
  167   167    THR T               +    0    0  -50.3  116.7  180.0  170.0  34.6 104.7    0  0.0    0  0.0    0  0.0    0  0.0 12 51
  168   168    SER S               +    0    0  -95.8  -62.0  179.9   13.2  60.3  26.4  141 -1.7    0  0.0    0  0.0    0  0.0 13 42
  169   169    SER S   E E  D I    -    0  141 -114.8  161.3 -180.0 -172.9  67.5 140.3  141 -1.5  141 -3.0  143 -0.8    0  0.0 16 47
  170   170    ILE I   E E  DHI    -  113  140 -144.8  174.6  179.8 -154.9  13.9 153.7  113 -1.2  113 -2.3    0  0.0    0  0.0 14 58
  171   171    ARG R   E E  DHI    -  112  139 -158.7  112.6  180.0 -150.8   9.6 145.2  139 -1.9  173 -1.0    0  0.0  139 -0.8 13 50
  172   172    ILE I   E E  DHI       111  138  -88.4  103.4  179.9  999.9 999.9 138.0  111 -2.6  111 -1.5    0  0.0    0  0.0 14 44
  173   173    SER S   E E  D I         0  137  -90.6  999.9  999.9  999.9 999.9 138.6  137 -1.9  137 -3.2  171 -1.0    0  0.0  8 34
 
 1prr-.pdb                                                   
 1PRR  BINDING PROTEIN  DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT PROTEIN  (MYXOCOCCUS XANTHUS)  
 
    author                                                                                                        author   
 Kabs/Sand     EEEESSSTT S EEEE SEEE HHHHHHHS  SS   EEE  TTEEEEEESSTTT SSEEEESSEESS  GGGG   EEEEEE      EEE SSTT  Kabs/Sand
 chirality   +-----+-+-++-------+-+--++++++-++++++++--+--++------+-+-++----+++---+---++++++++-+-----+-+-----+-+-  chirality
     bends         SSSSS S      SS   SSSSSSSS  SS   S    SS      SSSSS SS    SS  SS  S  S                   SSSS  bends    
     turns           TTTT           TTTTTTTTT           TTTT      TTTTT             TTTTTT                   TTT  turns    
   5-turns                                                                                                        5-turns  
   3-turns           >33<              >33<             >33<                        >>><<<                        3-turns  
  bridge-2      BBB                                  DD      FFFF                           EEEEEE        A       bridge-2 
  bridge-1     AAAA        AAAA  CCC                BBB    EEEEEE        FFFF  DD            CCC        GGG       bridge-1 
    sheets     AAAA        AAAA  BBB                AAA    BBBBBB        BBBB  AA           BBBBBB      CCC       sheets   
   4-turns                          >>>>X<<<<                     >444<                                      >44  4-turns  
   summary     EEEEeStTTtSeEEEE SEEEhHHHHHHHh  SS   EEEetTeEEEEEEetTTTtSeEEEESeEESS gGGGGg  EEEEEEe     EEE StTT  summary  
  sequence  MANITVFYNEDFQGKQVDLPPGNYTRAQLAALGIENNTISSVKVPPGVKAILYQNDGFAGDQIEVVANAEELGPLNNNVSSIRVISVPVQPRARFFYKEQ  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                             author   
 Kabs/Sand  T S  EEE SEEE SSTTHHHHS SS   SB  SSSEEEEESSSTT SSEEEE S BS  SSSSS   EEEEE  Kabs/Sand
 chirality  ++-------+----++++++----+++++-----+------+-+-++-----++-++++++++---++---    chirality
     bends  S S      SS   SSSSSSSSS SS   S   SSS     SSSSS SS     S  S  SSSSS          bends    
     turns  TT             TTTTTTTT                    TTTT                            turns    
   5-turns                                                                             5-turns  
   3-turns                   >>3<<                     >33<                            3-turns  
  bridge-2                                B      JJJJ                           IIIII  bridge-2 
  bridge-1       GGG  HHH                 A     IIIII        JJJJ   B            HHH   bridge-1 
    sheets       CCC  DDD                       DDDDD        DDDD               DDDDD  sheets   
   4-turns  4<             >4>><4<<                                                    4-turns  
   summary  TtS  EEE SEEE StThHHHHh SS   SB  SSSEEEEEeStTTtSeEEEE S BS  SSSSS   EEEEE  summary  
  sequence  FDGKEVDLPPGQYTQAELERYGIDNNTISSVKPQGLAVVLFKNDNFSGDTLPVNSDAPTLGAMNNNTSSIRIS  sequence 
                   110       120       130       140       150       160       170