Secondary structure calculation program - copyright by David Keith Smith, 1989
 1ghhA.pdb                                                   
 1GHH  PROTEIN BINDING  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -   81
             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  141.8  178.6  999.9 999.9 999.9    0  0.0   39 -1.0    0  0.0    0  0.0 10 33
    2 A   2    ARG R   E E  AaB    -   39   53 -121.8  131.0 -178.4 -165.3 999.9 165.8   53 -2.3   53 -2.3    0  0.0    0  0.0 10 32
    3 A   3    ILE I   E E  AaB    -   40   52 -119.7  125.2 -179.7 -173.7   4.6 165.1   39 -2.7   41 -1.5    0  0.0    0  0.0 12 43
    4 A   4    GLU E   E E  AaB    -   41   51 -123.9  129.3 -178.9 -169.2   2.1 166.3   51 -2.5   51 -2.5    0  0.0    0  0.0 11 38
    5 A   5    VAL V   E E  AaB    -   42   50 -119.9  131.6  179.7 -166.5   1.5 163.6   41 -2.9   43 -1.5    0  0.0    0  0.0 12 44
    6 A   6    THR T   E E  AaB    -   43   49 -120.0  134.1  179.9 -163.0   2.3 163.2   49 -2.7   49 -1.4    0  0.0    0  0.0 12 33
    7 A   7    ILE I   E E  Aa     -   44    0 -117.2  132.8 -179.9 -110.4  28.3 161.6   43 -2.1   45 -2.0    0  0.0    0  0.0 13 31
    8 A   8    ALA A   E E  Aa > T -   45    0  -65.1  131.1 -179.1 -136.9  17.8 113.8    0  0.0   11 -2.3    0  0.0    0  0.0 11 20
    9 A   9    LYS K   T e     3 TS+    0    0  -59.3  -24.5  178.9   77.1 100.1  42.0   45 -1.5    0  0.0    0  0.0    0  0.0  9 20
   10 A  10    THR T   T T     3 TS+    0    0  -62.3  -11.1  179.7   57.2  93.7  50.3    0  0.0    0  0.0    0  0.0    0  0.0  4 15
   11 A  11    SER S   S t     < TS-    0    0 -122.8   80.2 -179.7 -168.2  80.4 136.1    8 -2.3    0  0.0    0  0.0    0  0.0  6 21
   12 A  12    PRO P               -    0    0  -72.6  133.5  178.4 -154.8   5.1 119.7    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   13 A  13    LEU L               -    0    0 -105.5  148.3 -177.9  -80.2  37.1 141.4    0  0.0    0  0.0    0  0.0    0  0.0  7 27
   14 A  14    PRO P     t     > T -    0    0  -48.2  150.3 -178.8  -88.9  56.3  92.5    0  0.0   16 -4.6    0  0.0   17 -2.5  6 23
   15 A  15    ALA A   T T     3 TS+    0    0  -56.9   48.8  179.9   31.8 126.0  96.8    0  0.0    0  0.0    0  0.0    0  0.0  5 19
   16 A  16    GLY G   T h >   3 TS+    0    0 -176.0  -18.4 -177.1   88.0  92.5  73.5   14 -4.6   20 -1.7    0  0.0    0  0.0  8 22
   17 A  17    ALA A   H H >   < TS+    0    0  -68.2  -39.2 -179.7   55.9  84.4  30.8   14 -2.5   21 -3.2    0  0.0    0  0.0  9 32
   18 A  18    ILE I   H H >     TS+    0    0  -60.0  -49.6  178.9   44.8 111.1  15.9    0  0.0   22 -2.7    0  0.0    0  0.0 11 37
   19 A  19    ASP D   H H >     TS+    0    0  -60.5  -39.0 -179.9   50.0 114.6  27.1    0  0.0   23 -2.0    0  0.0    0  0.0  8 31
   20 A  20    ALA A   H H X     TS+    0    0  -66.1  -40.9  179.8   50.0 110.3  24.2   16 -1.7   24 -2.5    0  0.0    0  0.0  9 34
   21 A  21    LEU L   H H X     TS+    0    0  -61.4  -48.7  179.8   49.5 109.9  21.2   17 -3.2   25 -2.8    0  0.0    0  0.0  9 43
   22 A  22    ALA A   H H X     TS+    0    0  -60.1  -40.0  178.9   49.3 112.3  27.0   18 -2.7   26 -2.2    0  0.0    0  0.0 11 41
   23 A  23    GLY G   H H X     TS+    0    0  -67.1  -43.9 -179.8   46.1 112.5  23.4   19 -2.0   27 -1.9    0  0.0    0  0.0  8 33
   24 A  24    GLU E   H H X     TS+    0    0  -66.3  -41.3 -179.9   50.0 113.2  23.4   20 -2.5   28 -1.9    0  0.0    0  0.0 10 40
   25 A  25    LEU L   H H X     TS+    0    0  -63.0  -42.7 -179.4   52.8 108.2  24.2   21 -2.8   29 -2.3    0  0.0    0  0.0 11 48
   26 A  26    SER S   H H X     TS+    0    0  -60.0  -45.7 -179.6   50.0 107.9  22.5   22 -2.2   30 -2.6    0  0.0    0  0.0 11 38
   27 A  27    ARG R   H H X     TS+    0    0  -60.1  -41.1  179.7   49.9 111.3  24.2   23 -1.9   31 -1.9    0  0.0    0  0.0  8 31
   28 A  28    ARG R   H H X     TS+    0    0  -63.5  -40.0 -179.6   50.0 110.8  27.4   24 -1.9   32 -1.9    0  0.0    0  0.0  9 41
   29 A  29    ILE I   H H X     TS+    0    0  -65.7  -45.9  179.7   50.7 108.6  22.5   25 -2.3   33 -3.0    0  0.0    0  0.0 10 42
   30 A  30    GLN Q   H H <     TS+    0    0  -60.8  -40.5 -179.9   49.3 110.8  26.4   26 -2.6    0  0.0    0  0.0    0  0.0 11 28
   31 A  31    TYR Y   H H <     TS+    0    0  -66.2  -40.1 -179.5   43.4 115.6  25.1   27 -1.9    0  0.0    0  0.0    0  0.0  7 25
   32 A  32    ALA A   H H <     TS+    0    0  -71.7  -36.8 -178.7   38.1 122.9  31.5   28 -1.9    0  0.0    0  0.0    0  0.0  6 33
   33 A  33    PHE F     h <     T +    0    0 -119.3   86.5 -179.6  161.5  62.1 142.0   29 -3.0    0  0.0    0  0.0    0  0.0  9 31
   34 A  34    PRO P   S S        S+    0    0  -72.5  -31.1 -176.8   45.2  79.3  38.6    0  0.0    0  0.0    0  0.0    0  0.0  7 16
   35 A  35    ASP D   S S        S+    0    0  -92.7   -8.7 -178.0   63.8 106.6  59.5    0  0.0    0  0.0    0  0.0    0  0.0  4 17
   36 A  36    ASN N   S S        S-    0    0 -124.3  130.1  177.8 -119.8  82.1 166.3    0  0.0    0  0.0    0  0.0    0  0.0  7 25
   37 A  37    GLU E               -    0    0  -63.2  123.5  178.0 -159.9  30.9 116.1    0  0.0   39 -0.5    0  0.0    0  0.0  9 25
   38 A  38    GLY G               -    0    0 -109.6  124.4  179.0 -170.8   8.3 157.3    0  0.0    0  0.0    0  0.0    0  0.0 11 36
   39 A  39    HIS H   E E  Aa     -    2    0 -115.9  124.2 -177.6 -166.1   6.0 162.9    1 -1.0    3 -2.7   37 -0.5    0  0.0  9 36
   40 A  40    VAL V   E E  Aa     -    3    0 -114.9  130.0  178.5 -178.3   6.5 159.6    0  0.0    0  0.0    0  0.0    0  0.0 11 43
   41 A  41    SER S   E E  Aa     -    4    0 -125.7  141.0  179.1 -166.3   6.3 165.2    3 -1.5    5 -2.9    0  0.0    0  0.0  8 36
   42 A  42    VAL V   E E  Aa     +    5    0 -129.5  128.2 -179.2  153.4  19.4 172.6    0  0.0    0  0.0    0  0.0    0  0.0 12 39
   43 A  43    ARG R   E E  Aa     -    6    0 -149.5  159.6  178.9  -99.0  44.3 169.2    5 -1.5    7 -2.1    0  0.0    0  0.0  8 34
   44 A  44    TYR Y   E E  Aa     +    7    0  -83.1  137.2  179.7  168.2  45.5 129.3    0  0.0    0  0.0    0  0.0    0  0.0  8 29
   45 A  45    ALA A   E E  Aa     -    8    0 -140.5  168.2 -179.8  -98.9  52.1 152.9    7 -2.0    9 -1.5    0  0.0    0  0.0  9 21
   46 A  46    ALA A   S S        S+    0    0  -60.7  -27.7 -178.2   24.8 108.7  36.7    0  0.0    0  0.0    0  0.0    0  0.0  7 16
   47 A  47    ALA A   S S        S-    0    0 -140.2  152.3  176.8 -103.8  86.5 171.3    0  0.0    0  0.0    0  0.0    0  0.0  8 18
   48 A  48    ASN N               +    0    0  -71.5  126.8  179.5  158.8  53.4 123.6    0  0.0    0  0.0    0  0.0    0  0.0  9 24
   49 A  49    ASN N   E E  AB     -    6    0 -151.3  149.9  178.2 -152.4  32.6 174.8    6 -1.4    6 -2.7    0  0.0    0  0.0  7 26
   50 A  50    LEU L   E E  AB     -    5    0 -125.1  122.1  179.5 -175.9  16.8 171.4    0  0.0    0  0.0    0  0.0    0  0.0  8 37
   51 A  51    SER S   E E  AB     -    4    0 -123.0  129.8  178.6 -173.1   4.3 167.6    4 -2.5    4 -2.5    0  0.0    0  0.0  7 32
   52 A  52    VAL V   E E  AB     -    3    0 -123.0  125.8  179.9 -171.7   3.4 168.4    0  0.0    0  0.0    0  0.0    0  0.0 10 36
   53 A  53    ILE I   E E  AB     +    2    0 -120.3  130.0  178.7   18.2  68.5 164.9    2 -2.3    2 -2.3    0  0.0    0  0.0  7 26
   54 A  54    GLY G   S S        S+    0    0   92.1   16.3 -179.0  113.2  98.6  50.2    0  0.0    0  0.0    0  0.0    0  0.0  6 24
   55 A  55    ALA A               -    0    0 -122.9  162.0  177.7 -119.2  62.0 147.5    0  0.0    0  0.0    0  0.0    0  0.0  8 27
   56 A  56    THR T     h >     T -    0    0  -91.8  159.3 -177.5 -107.3  34.0 119.0    0  0.0   60 -2.5    0  0.0    0  0.0  6 20
   57 A  57    LYS K   H H >     TS+    0    0  -57.6  -40.0  179.3   50.2 120.1  29.0    0  0.0   61 -2.2    0  0.0    0  0.0  6 17
   58 A  58    GLU E   H H >     TS+    0    0  -66.8  -38.8  178.9   50.0 110.3  25.6    0  0.0   62 -2.3    0  0.0    0  0.0  6 17
   59 A  59    ASP D   H H >     TS+    0    0  -62.9  -43.7 -179.8   51.6 110.2  22.5    0  0.0   63 -2.8    0  0.0    0  0.0  8 31
   60 A  60    LYS K   H H X     TS+    0    0  -62.2  -41.0  178.4   50.0 108.2  26.5   56 -2.5   64 -2.7    0  0.0    0  0.0 10 32
   61 A  61    GLN Q   H H X     TS+    0    0  -64.0  -43.3 -179.7   49.7 111.3  20.6   57 -2.2   65 -2.6    0  0.0    0  0.0  8 23
   62 A  62    ARG R   H H X     TS+    0    0  -60.0  -44.7  179.3   50.4 110.5  20.9   58 -2.3   66 -3.0    0  0.0    0  0.0  8 29
   63 A  63    ILE I   H H X     TS+    0    0  -60.4  -43.8  177.9   50.3 109.0  21.6   59 -2.8   67 -2.9    0  0.0    0  0.0  9 44
   64 A  64    SER S   H H X     TS+    0    0  -60.0  -41.0  179.7   50.0 111.5  22.0   60 -2.7   68 -2.5    0  0.0    0  0.0  8 35
   65 A  65    GLU E   H H X     TS+    0    0  -62.1  -43.0  179.6   50.2 110.0  22.3   61 -2.6   69 -3.0    0  0.0    0  0.0  8 24
   66 A  66    ILE I   H H X     TS+    0    0  -60.0  -45.4  179.5   50.0 109.9  21.7   62 -3.0   70 -3.1    0  0.0    0  0.0  9 36
   67 A  67    LEU L   H H X     TS+    0    0  -60.0  -42.7  178.4   50.0 111.2  22.6   63 -2.9   71 -2.4    0  0.0    0  0.0  9 44
   68 A  68    GLN Q   H H X     TS+    0    0  -60.0  -51.1 -178.1   44.3 113.7  18.7   64 -2.5   72 -2.2    0  0.0    0  0.0  8 24
   69 A  69    GLU E   H H X     TS+    0    0  -63.1  -44.6  179.8   47.2 114.7  23.5   65 -3.0   73 -1.1    0  0.0    0  0.0  8 25
   70 A  70    THR T   H H <   > TS+    0    0  -60.0  -46.9 -179.2   49.9 113.4  19.8   66 -3.1   73 -0.8    0  0.0    0  0.0 10 33
   71 A  71    TRP W   H H <   > TS+    0    0  -59.4  -40.2 -179.8   50.0 110.3  29.9   67 -2.4   74 -1.0    0  0.0    0  0.0  7 32
   72 A  72    GLU E   H H <   3 TS+    0    0  -75.0  -16.6 -179.0   50.7 110.3  48.6   68 -2.2    0  0.0    0  0.0    0  0.0  6 19
   73 A  73    SER S   T h X   X TS+    0    0 -107.2   23.4 -176.6  124.4  72.2  87.8   69 -1.1   76 -1.7   70 -0.8   77 -1.4  8 19
   74 A  74    ALA A   H H >   < T +    0    0  -53.5  -35.2 -178.7   62.9  63.2  38.2   71 -1.0   78 -1.9    0  0.0    0  0.0  8 27
   75 A  75    ASP D   H H 4   3 TS+    0    0  -66.7  -20.0 -178.6   43.3 108.4  44.8    0  0.0    0  0.0    0  0.0    0  0.0  6 17
   76 A  76    ASP D   H H 4   < TS+    0    0  -93.0  -46.6 -177.6   29.6 122.8  29.1   73 -1.7    0  0.0    0  0.0    0  0.0  6 16
   77 A  77    TRP W   H H <     TS+    0    0  -90.3  -20.1  179.4   85.7 102.4  44.0   73 -1.4    0  0.0    0  0.0    0  0.0  7 28
   78 A  78    PHE F     h <     T -    0    0  -87.8  129.9  179.8 -174.3  56.5 134.0   74 -1.9    0  0.0    0  0.0    0  0.0  8 29
   79 A  79    VAL V               -    0    0 -120.9  139.0  179.8 -157.4   6.8 162.6    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   80 A  80    SER S                    0    0 -121.5  140.1 -179.8  999.9 999.9 161.3    0  0.0    0  0.0    0  0.0    0  0.0  4 18
   81 A  81    GLU E                    0    0  -66.4  999.9  999.9  999.9 999.9 119.2    0  0.0    0  0.0    0  0.0    0  0.0  2 13
 
 1ghhA.pdb                                                   
 1GHH  PROTEIN BINDING  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                     author   
 Kabs/Sand   EEEEEEETTS   TTHHHHHHHHHHHHHHHH SSS  EEEEEEESS EEEEES  HHHHHHHHHHHHHHHHTHHHH      Kabs/Sand
 chirality   -------++----+++++++++++++++++++++------+-+-+-+----++--+++++++++++++++++++++--    chirality
     bends          SSS   SSSSSSSSSSSSSSSSSS SSS         SS      S  SSSSSSSSSSSSSSSSS SSS      bends    
     turns         TTTT  TTTTTTTTTTTTTTTTTTTT                      TTTTTTTTTTTTTTTTTTTTTTT     turns    
   5-turns                                                                                     5-turns  
   3-turns         >33<  >33<                                                    >>3X<3<       3-turns  
  bridge-2   BBBBB                                                                             bridge-2 
  bridge-1   aaaaaaa                              aaaaaaa   BBBBB                              bridge-1 
    sheets   AAAAAAA                              AAAAAAA   AAAAA                              sheets   
   4-turns                 >>>>XXXXXXXXXX<<<<                      >>>>XXXXXXXXXX<<44<<     4-turns  
   summary  eEEEEEEEeTt  tThHHHHHHHHHHHHHHHHhSSS  EEEEEEESS EEEEES hHHHHHHHHHHHHHHHHhHHHHh     summary  
  sequence  MRIEVTIAKTSPLPAGAIDALAGELSRRIQYAFPDNEGHVSVRYAAANNLSVIGATKEDKQRISEILQETWESADDWFVSE  sequence 
                    10        20        30        40        50        60        70        80