Secondary structure calculation program - copyright by David Keith Smith, 1989
 1it2A.pdb                                                   
 1IT2  OXYGEN STORAGE/TRANSPORT  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  146
             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    PRO P                    0    0  999.9  177.0 -179.9  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  5 31
    2 A   2    ILE I               -    0    0  -90.7  136.4  178.8 -168.9 999.9 135.1    0  0.0    0  0.0    0  0.0    0  0.0 10 40
    3 A   3    ILE I               -    0    0 -120.9  155.6 -179.3 -162.1  15.3 150.8    0  0.0    0  0.0    0  0.0    0  0.0  8 37
    4 A   4    ASP D               +    0    0 -124.2   14.5  176.6   43.2  68.7  76.0    0  0.0    0  0.0    0  0.0    0  0.0 11 37
    5 A   5    GLN Q   S S        S+    0    0 -153.9  156.1 -179.0   54.8  77.8 171.5    0  0.0    0  0.0    0  0.0    0  0.0  8 34
    6 A   6    GLY G   S S        S-    0    0  112.2 -177.4  180.0  -23.7  94.4 125.9    0  0.0    0  0.0    0  0.0    0  0.0  5 23
    7 A   7    PRO P   S S        S-    0    0  -64.7  156.2  179.7  -96.0  78.3 106.1    0  0.0    0  0.0    0  0.0    0  0.0  4 23
    8 A   8    LEU L               -    0    0  -74.8  132.6  179.1 -125.8  37.1 122.5    0  0.0    0  0.0    0  0.0    0  0.0  7 35
    9 A   9    PRO P               -    0    0  -71.2  162.1  179.8 -120.7  24.6 110.8    0  0.0    0  0.0    0  0.0    0  0.0  7 34
   10 A  10    THR T               -    0    0 -110.7  129.8  179.3 -132.9  14.1 157.1    0  0.0   12 -0.6    0  0.0    0  0.0  5 38
   11 A  11    LEU L               -    0    0  -80.7  117.6  179.4 -148.7  25.0 134.4    0  0.0    0  0.0    0  0.0    0  0.0 11 36
   12 A  12    THR T     h >     T -    0    0  -78.2  171.4  178.8 -103.4  29.3 104.1   10 -0.6   16 -2.4    0  0.0    0  0.0  6 26
   13 A  13    ASP D   H H >     TS+    0    0  -61.8  -37.7  179.4   52.3 126.8  25.8    0  0.0   17 -2.2    0  0.0    0  0.0  6 23
   14 A  14    GLY G   H H >     TS+    0    0  -63.1  -44.2  179.4   51.2 107.1  24.0    0  0.0   18 -2.3    0  0.0    0  0.0  7 23
   15 A  15    ASP D   H H >     TS+    0    0  -57.5  -51.2 -179.0   46.4 111.9  19.3    0  0.0   19 -2.4    0  0.0    0  0.0 10 31
   16 A  16    LYS K   H H X     TS+    0    0  -61.0  -39.4  179.7   53.5 110.4  29.4   12 -2.4   20 -2.7    0  0.0    0  0.0 11 36
   17 A  17    LYS K   H H X     TS+    0    0  -62.8  -44.3  179.5   46.7 110.3  23.4   13 -2.2   21 -0.9    0  0.0    0  0.0  8 26
   18 A  18    ALA A   H H X   > TS+    0    0  -63.7  -45.7  179.8   48.8 113.3  21.7   14 -2.3   22 -1.9    0  0.0   21 -0.6  9 30
   19 A  19    ILE I   H H X   3 TS+    0    0  -60.0  -45.6 -179.3   49.3 111.5  21.6   15 -2.4   23 -2.8    0  0.0    0  0.0 11 42
   20 A  20    ASN N   H H <   3 TS+    0    0  -69.6  -16.1  179.2   53.7 109.3  48.5   16 -2.7    0  0.0    0  0.0    0  0.0  9 36
   21 A  21    LYS K   H H <   < TS+    0    0  -84.0  -37.1 -178.5   35.5 117.0  32.6   17 -0.9    0  0.0   18 -0.6    0  0.0  7 26
   22 A  22    ILE I   H H X   > TS+    0    0  -84.8  -38.7 -176.5   68.2 105.3  32.6   18 -1.9   26 -0.8    0  0.0   25 -0.8  9 34
   23 A  23    TRP W   H H X   > TS+    0    0  -55.6  -45.7 -179.7   65.3  85.2  32.0   19 -2.8   27 -3.0    0  0.0   26 -0.9  8 43
   24 A  24    PRO P   H H >   3 TS+    0    0  -48.1  -40.0  179.5   53.7 100.3  30.6    0  0.0   28 -2.1    0  0.0    0  0.0  8 29
   25 A  25    LYS K   H H 4   < TS+    0    0  -63.1  -37.1 -180.0   40.5 114.9  30.4   22 -0.8    0  0.0    0  0.0    0  0.0  7 24
   26 A  26    ILE I   H H <   X TS+    0    0  -75.6  -50.2 -179.7   53.3 113.1  20.5   23 -0.9   29 -1.7   22 -0.8    0  0.0 10 38
   27 A  27    TYR Y   H H <   > TS+    0    0  -54.7  -39.0 -178.5   64.5  97.9  32.9   23 -3.0   30 -1.6    0  0.0    0  0.0  8 37
   28 A  28    LYS K   T h <   3 TS+    0    0  -63.7  -16.9  177.3   32.5 114.5  45.5   24 -2.1    0  0.0    0  0.0    0  0.0  6 20
   29 A  29    GLU E   T h >   < TS+    0    0 -130.9   47.4 -177.9  144.9  78.8 107.6   26 -1.7   33 -2.2    0  0.0    0  0.0  8 23
   30 A  30    TYR Y   H H >   < T +    0    0  -58.2  -34.6 -179.8   61.0  62.7  38.4   27 -1.6   34 -2.4    0  0.0    0  0.0 10 34
   31 A  31    GLU E   H H >     TS+    0    0  -60.6  -55.9 -179.2   33.0 113.6  12.0    0  0.0   35 -2.0    0  0.0    0  0.0  8 37
   32 A  32    GLN Q   H H >     TS+    0    0  -70.9  -38.2  178.8   50.8 119.9  28.7    0  0.0   36 -2.8    0  0.0    0  0.0  7 33
   33 A  33    TYR Y   H H X     TS+    0    0  -64.2  -47.2 -179.4   48.1 111.7  16.5   29 -2.2   37 -2.4    0  0.0    0  0.0  9 43
   34 A  34    SER S   H H X     TS+    0    0  -58.5  -44.9  179.1   45.9 114.8  21.8   30 -2.4   38 -1.9    0  0.0    0  0.0 13 49
   35 A  35    LEU L   H H X     TS+    0    0  -62.4  -49.1 -179.5   51.9 111.1  20.3   31 -2.0   39 -2.7    0  0.0    0  0.0 13 43
   36 A  36    ASN N   H H X     TS+    0    0  -55.9  -42.1  179.2   52.6 108.0  28.5   32 -2.8   40 -2.4    0  0.0    0  0.0  8 44
   37 A  37    ILE I   H H X     TS+    0    0  -60.9  -50.7 -179.6   42.8 112.6  17.8   33 -2.4   41 -2.2    0  0.0    0  0.0 13 50
   38 A  38    LEU L   H H X     TS+    0    0  -64.2  -42.2  179.0   51.0 114.2  24.6   34 -1.9   42 -2.5    0  0.0    0  0.0 11 56
   39 A  39    LEU L   H H X     TS+    0    0  -61.7  -41.1  178.8   49.9 110.1  25.7   35 -2.7   43 -1.9    0  0.0    0  0.0 10 53
   40 A  40    ARG R   H H X     TS+    0    0  -63.1  -42.4  179.7   51.3 110.0  23.9   36 -2.4   44 -2.5    0  0.0    0  0.0  9 40
   41 A  41    PHE F   H H X     TS+    0    0  -60.7  -44.5 -179.9   47.4 111.0  22.5   37 -2.2   45 -2.6    0  0.0    0  0.0 12 43
   42 A  42    LEU L   H H <     TS+    0    0  -68.3  -29.7  178.9   50.0 112.2  36.1   38 -2.5    0  0.0    0  0.0    0  0.0 11 44
   43 A  43    LYS K   H H <     TS+    0    0  -75.1  -39.6 -179.9   43.0 114.8  26.6   39 -1.9    0  0.0    0  0.0    0  0.0  7 32
   44 A  44    CYS C   H H <     TS+    0    0  -72.5  -37.2 -179.8   26.7 130.3  28.7   40 -2.5    0  0.0    0  0.0    0  0.0  6 25
   45 A  45    PHE F     h <   > T +    0    0 -127.1   75.4 -179.9  168.2  64.8 131.8   41 -2.6   48 -2.2    0  0.0    0  0.0  8 29
   46 A  46    PRO P   G G     > TS+    0    0  -55.4  -34.9  179.9   65.9  77.4  31.0    0  0.0   49 -1.9    0  0.0    0  0.0  8 28
   47 A  47    GLN Q   G G     > TS+    0    0  -62.7  -13.9  179.5   67.1  89.6  51.2    0  0.0   50 -0.6    0  0.0    0  0.0  6 27
   48 A  48    ALA A   G G     X TS+    0    0  -81.7  -16.0 -179.1   79.9  78.4  47.5   45 -2.2   51 -2.0    0  0.0    0  0.0  9 38
   49 A  49    GLN Q   G G     X TS+    0    0  -62.1  -24.1  179.9   70.0  78.8  38.5   46 -1.9   52 -1.8    0  0.0    0  0.0 10 41
   50 A  50    ALA A   G G     < TS+    0    0  -65.5  -17.7 -180.0   68.9  86.5  45.8   47 -0.6    0  0.0    0  0.0    0  0.0  7 31
   51 A  51    SER S   G G     < TS+    0    0  -79.5   -3.9  179.9   64.5  90.7  60.7   48 -2.0    0  0.0    0  0.0    0  0.0  9 37
   52 A  52    PHE F     g >   X T -    0    0 -122.2   82.7 -179.7 -179.7  60.1 138.0   49 -1.8   55 -2.3    0  0.0   56 -1.1  8 41
   53 A  53    PRO P   T T 4   3 TS+    0    0  -51.0  -32.4 -179.2   70.0  77.0  36.7    0  0.0    0  0.0    0  0.0    0  0.0  7 27
   54 A  54    LYS K   T T 4   3 TS+    0    0  -64.3  -14.5  176.5    7.6 124.5  50.1    0  0.0    0  0.0    0  0.0    0  0.0  6 26
   55 A  55    PHE F   T T 4   X TS+    0    0 -149.6   16.8 -179.5  113.3  93.1  76.9   52 -2.3   58 -1.6    0  0.0    0  0.0  9 31
   56 A  56    SER S   T T <   3 TS+    0    0  -65.4  -21.8  179.6   50.3  82.3  45.1   52 -1.1    0  0.0    0  0.0    0  0.0  9 33
   57 A  57    THR T   T T     3 TS+    0    0  -96.9    4.3 -179.4  107.3  90.1  68.7    0  0.0    0  0.0    0  0.0    0  0.0  6 21
   58 A  58    LYS K     t     < T +    0    0  -90.0  129.3  179.2  178.2  43.7 135.6   55 -1.6    0  0.0    0  0.0    0  0.0  6 27
   59 A  59    LYS K               +    0    0 -129.8  135.4  179.5    6.7  49.7 172.4    0  0.0    0  0.0    0  0.0    0  0.0  5 25
   60 A  60    SER S   S S        S+    0    0   70.1  141.7  179.9   42.1 109.6  58.4    0  0.0    0  0.0    0  0.0    0  0.0  4 20
   61 A  61    ASN N     g     > T +    0    0   60.1   34.8  179.8  154.8  61.5  35.7    0  0.0   64 -1.6    0  0.0    0  0.0  6 22
   62 A  62    LEU L   G G     > T +    0    0  -60.9  -27.3 -179.3   71.5  62.3  38.0    0  0.0   65 -1.1    0  0.0    0  0.0  9 34
   63 A  63    GLU E   G G     3 TS+    0    0  -62.1  -23.3 -179.4   43.5 101.4  41.8    0  0.0    0  0.0    0  0.0    0  0.0  8 31
   64 A  64    GLN Q   G G     < TS+    0    0 -100.4   -5.1 -179.5  111.2  86.4  60.4   61 -1.6    0  0.0    0  0.0    0  0.0  7 24
   65 A  65    ASP D     h >   < T -    0    0  -74.3  120.3  179.9 -148.5  60.8 125.2   62 -1.1   69 -2.5    0  0.0    0  0.0  8 30
   66 A  66    PRO P   H H >     TS+    0    0  -56.3  -35.7 -179.7   53.4  97.7  32.5    0  0.0   70 -2.5    0  0.0    0  0.0  6 29
   67 A  67    GLU E   H H >     TS+    0    0  -68.1  -39.0  179.2   46.2 110.5  28.0    0  0.0   71 -2.4    0  0.0    0  0.0  8 33
   68 A  68    VAL V   H H >     TS+    0    0  -68.3  -47.8  179.8   46.4 114.9  20.2    0  0.0   72 -2.3    0  0.0    0  0.0 13 42
   69 A  69    LYS K   H H X     TS+    0    0  -61.3  -43.2 -179.7   46.7 115.5  23.4   65 -2.5   73 -2.0    0  0.0    0  0.0 13 37
   70 A  70    HIS H   H H X     TS+    0    0  -66.8  -44.3  178.8   51.5 110.1  23.9   66 -2.5   74 -2.1    0  0.0    0  0.0  8 31
   71 A  71    GLN Q   H H X     TS+    0    0  -57.4  -44.3  180.0   51.5 110.6  21.8   67 -2.4   75 -1.8    0  0.0    0  0.0  8 46
   72 A  72    ALA A   H H X     TS+    0    0  -59.1  -46.8 -178.1   44.4 111.5  24.0   68 -2.3   76 -2.2    0  0.0    0  0.0 12 47
   73 A  73    VAL V   H H X     TS+    0    0  -71.9  -28.8  179.3   57.4 108.3  36.6   69 -2.0   77 -2.8    0  0.0    0  0.0 12 35
   74 A  74    VAL V   H H X     TS+    0    0  -67.0  -42.2  178.8   43.3 111.1  23.1   70 -2.1   78 -1.4    0  0.0    0  0.0  8 36
   75 A  75    ILE I   H H X     TS+    0    0  -66.7  -48.0  179.9   49.4 115.3  19.5   71 -1.8   79 -1.9    0  0.0    0  0.0  9 53
   76 A  76    PHE F   H H X     TS+    0    0  -57.8  -45.8 -178.7   53.0 108.4  23.6   72 -2.2   80 -2.5    0  0.0    0  0.0 10 50
   77 A  77    ASN N   H H X     TS+    0    0  -62.9  -31.8  178.4   54.1 105.6  34.3   73 -2.8   81 -2.3    0  0.0    0  0.0  8 38
   78 A  78    LYS K   H H X     TS+    0    0  -67.3  -44.6  178.8   46.9 109.7  21.7   74 -1.4   82 -2.2    0  0.0    0  0.0  8 48
   79 A  79    VAL V   H H X     TS+    0    0  -61.9  -41.0  179.1   52.9 111.2  24.0   75 -1.9   83 -2.5    0  0.0    0  0.0  8 61
   80 A  80    ASN N   H H X     TS+    0    0  -60.3  -42.3  179.0   52.0 107.3  25.4   76 -2.5   84 -2.2    0  0.0    0  0.0  9 45
   81 A  81    GLU E   H H <     TS+    0    0  -58.9  -47.5 -179.1   47.8 110.4  22.5   77 -2.3    0  0.0    0  0.0    0  0.0  8 37
   82 A  82    ILE I   H H <   > TS+    0    0  -62.2  -44.2  179.0   49.8 110.9  23.9   78 -2.2   85 -1.3    0  0.0    0  0.0  9 48
   83 A  83    ILE I   H H <   > TS+    0    0  -61.2  -38.4 -179.8   58.1 106.6  26.0   79 -2.5   86 -1.2    0  0.0    0  0.0  9 51
   84 A  84    ASN N   T h <   3 TS+    0    0  -67.3  -13.4  179.8   34.3 116.1  53.3   80 -2.2    0  0.0    0  0.0    0  0.0  6 35
   85 A  85    SER S   T T     X T +    0    0 -135.5   39.7 -179.8  134.8  68.1  94.9   82 -1.3   88 -2.2    0  0.0    0  0.0 10 33
   86 A  86    MET M   T T     < TS+    0    0  -62.3  -15.1  179.7   63.0  73.2  48.4   83 -1.2    0  0.0    0  0.0    0  0.0 10 41
   87 A  87    ASP D   T T     3 TS+    0    0  -85.7  -10.8 -179.6   67.8  92.7  54.7    0  0.0   89 -0.6    0  0.0    0  0.0  4 28
   88 A  88    ASN N     h >   < T +    0    0 -113.8   82.2 -179.9  170.7  55.1 136.3   85 -2.2   92 -1.9    0  0.0    0  0.0  7 25
   89 A  89    GLN Q   H H >     TS+    0    0  -55.3  -43.2 -179.4   55.6  78.2  29.2   87 -0.6   93 -2.5    0  0.0    0  0.0  8 33
   90 A  90    GLU E   H H >     TS+    0    0  -59.3  -42.5  179.7   49.7 106.8  27.6    0  0.0   94 -2.6    0  0.0    0  0.0  6 24
   91 A  91    GLU E   H H >     TS+    0    0  -62.5  -46.7  179.9   49.4 111.0  22.1    0  0.0   95 -2.7    0  0.0    0  0.0  8 26
   92 A  92    ILE I   H H X     TS+    0    0  -59.2  -45.8  179.9   47.4 113.1  23.6   88 -1.9   96 -2.5    0  0.0    0  0.0 11 38
   93 A  93    ILE I   H H X     TS+    0    0  -59.9  -58.3 -179.6   44.4 114.5  13.6   89 -2.5   97 -2.4    0  0.0    0  0.0  9 40
   94 A  94    LYS K   H H X     TS+    0    0  -51.4  -55.1 -179.7   46.6 116.5  20.7   90 -2.6   98 -1.7    0  0.0    0  0.0  8 30
   95 A  95    SER S   H H X     TS+    0    0  -55.8  -52.3 -178.6   42.3 116.5  22.6   91 -2.7   99 -1.7    0  0.0    0  0.0  8 36
   96 A  96    LEU L   H H X     TS+    0    0  -71.7  -26.9  179.1   56.6 109.2  40.0   92 -2.5  100 -1.9    0  0.0    0  0.0 11 46
   97 A  97    LYS K   H H X     TS+    0    0  -70.4  -36.9  179.0   49.0 108.8  26.4   93 -2.4  101 -1.8    0  0.0    0  0.0 12 35
   98 A  98    ASP D   H H X     TS+    0    0  -64.5  -44.7 -179.6   48.2 111.8  23.6   94 -1.7  102 -1.7    0  0.0    0  0.0  8 28
   99 A  99    LEU L   H H X     TS+    0    0  -65.1  -35.2  179.4   58.3 106.4  32.3   95 -1.7  103 -2.2    0  0.0    0  0.0  9 38
  100 A 100    SER S   H H X     TS+    0    0  -60.4  -45.6 -179.7   49.4 105.4  22.9   96 -1.9  104 -1.7    0  0.0    0  0.0 14 39
  101 A 101    GLN Q   H H X    >TS+    0    0  -62.2  -39.9 -179.7   52.3 109.4  27.4   97 -1.8  105 -2.5    0  0.0  106 -0.6 12 28
  102 A 102    LYS K   H H X    >TS+    0    0  -65.1  -41.6  179.7   49.2 108.5  25.3   98 -1.7  107 -2.8    0  0.0  106 -1.5 10 28
  103 A 103    HIS H   H H <    5TS+    0    0  -65.8  -34.1 -179.1   46.7 115.3  31.5   99 -2.2  109 -3.0    0  0.0    0  0.0 10 35
  104 A 104    LYS K   H H <    5TS+    0    0  -72.1  -58.7 -176.8   16.7 128.5  12.3  100 -1.7    0  0.0    0  0.0    0  0.0 13 28
  105 A 105    THR T   H H <    5TS+    0    0  -89.1  -33.9 -179.7   31.6 135.7  35.1  101 -2.5    0  0.0    0  0.0    0  0.0  7 20
  106 A 106    VAL V   T h <     T -    0    0  -77.2  121.1 -178.4 -140.5  20.3 132.5    0  0.0  113 -2.0    0  0.0    0  0.0  7 35
  111 A 111    SER S   T T     > TS+    0    0  -57.7  -14.6  180.0   82.3  91.5  51.2  109 -0.6  114 -0.8    0  0.0    0  0.0  9 40
  112 A 112    ILE I   T h >   3 TS+    0    0  -62.0  -25.6 -177.6   61.3  84.3  39.2    0  0.0  116 -0.6    0  0.0    0  0.0  6 37
  113 A 113    TRP W   H H >   < TS+    0    0  -74.9  -28.9 -178.4   77.2  82.1  39.2  110 -2.0  117 -2.4    0  0.0    0  0.0  9 47
  114 A 114    PHE F   H H >   < TS+    0    0  -48.7  -50.1 -179.2   45.5  97.3  26.3  111 -0.8  118 -2.4    0  0.0    0  0.0 10 60
  115 A 115    LYS K   H H >     TS+    0    0  -64.2  -35.4 -179.6   53.5 111.7  32.1    0  0.0  119 -1.9    0  0.0    0  0.0 13 46
  116 A 116    GLU E   H H X     TS+    0    0  -68.0  -44.4  178.7   42.8 111.7  23.6  112 -0.6  120 -1.4    0  0.0    0  0.0  9 43
  117 A 117    LEU L   H H X     TS+    0    0  -66.9  -42.0 -179.6   54.8 113.0  23.0  113 -2.4  121 -2.1    0  0.0    0  0.0 11 58
  118 A 118    SER S   H H X     TS+    0    0  -59.0  -38.0  179.4   55.1 103.3  31.4  114 -2.4  122 -2.7    0  0.0    0  0.0 11 58
  119 A 119    SER S   H H X     TS+    0    0  -61.7  -44.2  179.9   44.9 110.7  23.6  115 -1.9  123 -2.6    0  0.0    0  0.0 10 46
  120 A 120    ILE I   H H X     TS+    0    0  -69.2  -32.8  178.1   56.2 109.9  33.2  116 -1.4  124 -2.2    0  0.0    0  0.0 11 44
  121 A 121    PHE F   H H X     TS+    0    0  -62.2  -50.1 -179.3   43.6 111.5  16.2  117 -2.1  125 -1.6    0  0.0    0  0.0  9 60
  122 A 122    VAL V   H H <    >TS+    0    0  -63.1  -47.5 -179.2   47.6 114.4  21.8  118 -2.7  127 -2.7    0  0.0    0  0.0 12 49
  123 A 123    SER S   H H <   >5TS+    0    0  -64.5  -35.1 -179.9   56.7 108.3  29.3  119 -2.6  126 -1.1    0  0.0    0  0.0  8 35
  124 A 124    THR T   H H <   35TS+    0    0  -62.6  -42.8 -180.0   38.9 113.0  25.3  120 -2.2    0  0.0    0  0.0    0  0.0  8 39
  125 A 125    ILE I   T h <   35TS-    0    0  -91.3   12.6 -179.9 -122.3 111.1  75.2  121 -1.6    0  0.0    0  0.0    0  0.0  7 44
  126 A 126    ASP D   T T     <5T +    0    0   47.4   45.1  179.3  172.2  51.4  27.9  123 -1.1    0  0.0    0  0.0    0  0.0  6 33
  127 A 127    GLY G     t         > T -    0    0 -110.8 -154.0 -179.8  -55.7  46.0  99.0    0  0.0  132 -1.7    0  0.0  131 -0.6  7 31
  129 A 129    ALA A   H H >   3 TS+    0    0  -56.6  -35.2 -179.8   62.7 128.6  32.8    0  0.0  133 -2.2    0  0.0    0  0.0  7 37
  130 A 130    GLU E   H H >   3 TS+    0    0  -58.0  -45.1  179.7   42.3 106.8  25.0    0  0.0  134 -1.9    0  0.0    0  0.0 12 41
  131 A 131    PHE F   H H >   < TS+    0    0  -72.7  -31.0  179.0   57.4 109.8  35.9  128 -0.6  135 -2.8    0  0.0    0  0.0 11 53
  132 A 132    GLU E   H H X     TS+    0    0  -66.4  -36.2  178.6   48.5 107.9  27.1  128 -1.7  136 -1.3    0  0.0    0  0.0 13 47
  133 A 133    LYS K   H H X     TS+    0    0  -67.4  -44.1  179.2   50.4 111.0  21.3  129 -2.2  137 -2.0    0  0.0    0  0.0 13 47
  134 A 134    LEU L   H H X     TS+    0    0  -58.0  -47.5 -179.2   45.5 112.9  21.2  130 -1.9  138 -2.1    0  0.0    0  0.0  9 63
  135 A 135    PHE F   H H X     TS+    0    0  -71.5  -19.9  177.3   59.7 106.6  45.0  131 -2.8  139 -2.6    0  0.0    0  0.0 11 65
  136 A 136    SER S   H H X     TS+    0    0  -70.9  -44.7  178.2   46.7 107.0  22.1  132 -1.3  140 -2.8    0  0.0    0  0.0 14 53
  137 A 137    ILE I   H H X     TS+    0    0  -59.2  -48.4  179.9   47.9 114.8  18.9  133 -2.0  141 -2.1    0  0.0    0  0.0 11 56
  138 A 138    ILE I   H H X     TS+    0    0  -59.7  -46.9 -179.1   44.2 114.7  23.4  134 -2.1  142 -2.1    0  0.0    0  0.0  9 64
  139 A 139    CYS C   H H X     TS+    0    0  -68.6  -40.4  179.1   52.9 110.8  27.4  135 -2.6  143 -1.7    0  0.0    0  0.0 14 56
  140 A 140    ILE I   H H X     TS+    0    0  -59.6  -45.7 -179.6   44.0 114.6  18.2  136 -2.8  144 -0.5    0  0.0    0  0.0 13 50
  141 A 141    LEU L   H H <   > TS+    0    0  -68.1  -35.9  179.1   51.7 111.5  31.9  137 -2.1  144 -0.5    0  0.0    0  0.0 13 48
  142 A 142    LEU L   H H <   3 TS+    0    0  -71.7  -22.4 -179.7   46.5 113.8  40.9  138 -2.1    0  0.0    0  0.0    0  0.0 14 51
  143 A 143    ARG R   H H <   > TS+    0    0  -94.1   -7.3 -177.0   94.0  87.5  60.1  139 -1.7  146 -1.1    0  0.0    0  0.0 12 44
  144 A 144    SER S   T h <   < TS+    0    0  -58.0  -37.2 -179.6   53.2  79.6  35.9  140 -0.5    0  0.0  141 -0.5    0  0.0  9 38
  145 A 145    ALA A   T T     3 T      0    0  -74.3  -16.6 -179.2  999.9 999.9  47.8    0  0.0    0  0.0    0  0.0    0  0.0  9 32
  146 A 146    TYR Y     t     < T      0    0  -82.1  999.9  999.9  999.9 999.9 106.0  143 -1.1    0  0.0    0  0.0    0  0.0  7 30
 
 1it2A.pdb                                                   
 1IT2  OXYGEN STORAGE/TRANSPORT  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand      SSS     HHHHHHHHHHHHHHHTTHHHHHHHHHHHHHHH GGGGGG TTTTT  S GGG HHHHHHHHHHHHHHHHHHTTTT HHHHHHHHHHHH  Kabs/Sand
 chirality   --++-------+++++++++++++++++++++++++++++++++++++++-++++++++++++-+++++++++++++++++++++++++++++++++++  chirality
     bends      SSS     SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSS SSSSS  S  SS SSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSS  bends    
     turns             TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT  TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT  turns    
   5-turns                                                                                                        5-turns  
   3-turns                   >33<>>33<<              >>>XX<>3<<                >>3X<3<              3-turns  
  bridge-2                                                                                                        bridge-2 
  bridge-1                                                                                                        bridge-1 
    sheets                                                                                                        sheets   
   4-turns             >>>>XXXX<4<<<>>>>XXXXXXXXX<<<<      >444<        >>>>XXXXXXXXXXXX<<<<   >>>>XXXXXXXXX  4-turns  
   summary      SSS    hHHHHHHHHHHHHHHHhhHHHHHHHHHHHHHHHhGGGGGGgTTTTTt SgGGGhHHHHHHHHHHHHHHHHHHhTTThHHHHHHHHHHHH  summary  
  sequence  PIIDQGPLPTLTDGDKKAINKIWPKIYKEYEQYSLNILLRFLKCFPQAQASFPKFSTKKSNLEQDPEVKHQAVVIFNKVNEIINSMDNQEEIIKSLKDLS  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                  author   
 Kabs/Sand  HHHHHTS   TTHHHHHHHHHHHHTT  HHHHHHHHHHHHHHHTT   Kabs/Sand
 chirality  ++++++-+--++++++++++++++-+--++++++++++++++++    chirality
     bends  SSSSSSS   SSSSSSSSSSSSSSS   SSSSSSSSSSSSSSSS    bends    
     turns  TTTTTTT  TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT  turns    
   5-turns  >>555<<              >5555<                     5-turns  
   3-turns           >>3<<        >33< >33<         >3><3<  3-turns  
  bridge-2                                                  bridge-2 
  bridge-1                                                  bridge-1 
    sheets                                                  sheets   
   4-turns  XX<<<<     >>>>XXXXXX<<<<  >>>>XXXXXXXXX<<<<    4-turns  
   summary  HHHHHht  tThHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHhTt  summary  
  sequence  QKHKTVFKVDSIWFKELSSIFVSTIDGGAEFEKLFSIICILLRSAY  sequence 
                   110       120       130       140