Secondary structure calculation program - copyright by David Keith Smith, 1989
 1eijA.pdb                                                   
 1EIJ  STRUCTURAL GENOMICS  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -   72
             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                    0    0  999.9  129.6 -179.9  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  4  6
    2 A   2    ARG R               +    0    0   61.0  177.0 -179.9   61.3 999.9  83.6    0  0.0    4 -3.4    0  0.0    0  0.0  5  9
    3 A   3    GLN Q   S S        S+    0    0   69.1  -64.9  179.9   38.8 116.2 108.5    0  0.0    0  0.0    0  0.0    0  0.0  6 10
    4 A   4    GLN Q   S S        S+    0    0  -82.1  -37.1  179.9  102.7  88.7  32.2    2 -3.4    6 -0.7    0  0.0    0  0.0  6 10
    5 A   5    LEU L   S S        S-    0    0  -52.0   96.3  179.2  -74.4 110.8 106.6    0  0.0    7 -1.0    0  0.0    0  0.0  6 10
    6 A   6    GLU E               -    0    0   48.5  -88.5 -180.0 -162.3  61.5 101.7    4 -0.7    0  0.0    0  0.0    0  0.0  5 16
    7 A   7    MET M               -    0    0   75.1   81.7  179.9 -149.8   7.6  13.5    5 -1.0    9 -1.5    0  0.0    0  0.0  8 19
    8 A   8    GLN Q   S S        S+    0    0  -85.5   86.6 -179.9   66.2  74.7 129.7    0  0.0    0  0.0    0  0.0    0  0.0  8 31
    9 A   9    LYS K   S h >   > TS+    0    0 -161.3  -61.9  179.9   53.8  86.2  79.9    7 -1.5   13 -1.4    0  0.0   12 -1.0  7 36
   10 A  10    LYS K   H H >   3 TS+    0    0  -58.6  -33.0  179.0   68.2  99.9  32.7    0  0.0   14 -1.5    0  0.0    0  0.0  8 32
   11 A  11    GLN Q   H H 4   3 TS+    0    0  -53.7  -39.4  177.9   46.5 102.1  26.8    0  0.0    0  0.0    0  0.0    0  0.0  8 29
   12 A  12    ILE I   H H >   X TS+    0    0  -67.7  -43.2 -178.9   62.2 103.2  25.7    9 -1.0   16 -2.6    0  0.0   15 -2.2 13 33
   13 A  13    MET M   H H <   3 TS+    0    0  -53.9  -29.7 -179.0   55.9 100.1  38.3    9 -1.4    0  0.0    0  0.0    0  0.0 10 32
   14 A  14    MET M   T h <   3 TS+    0    0  -78.5  -17.1 -178.6   39.0 114.0  48.9   10 -1.5    0  0.0    0  0.0    0  0.0  7 25
   15 A  15    GLN Q   T T 4   < TS-    0    0  -99.3  -46.9  178.8  -46.7 142.0  29.8   12 -2.2    0  0.0    0  0.0    0  0.0  9 29
   16 A  16    ILE I   S t <     TS+    0    0  179.0   40.0 -179.9  123.5  92.5  82.8   12 -2.6    0  0.0    0  0.0    0  0.0 10 33
   17 A  17    LEU L               -    0    0 -120.0  129.5  179.1 -174.7  31.6 162.8    0  0.0    0  0.0    0  0.0    0  0.0 15 38
   18 A  18    THR T     h >   > T -    0    0 -120.4  144.5  178.9 -119.7  37.5 159.5    0  0.0   21 -1.5    0  0.0   22 -1.3  9 31
   19 A  19    PRO P   H H >   3 TS+    0    0  -48.1  -29.7  179.4   55.2 118.9  36.9    0  0.0   23 -1.7    0  0.0    0  0.0  6 29
   20 A  20    GLU E   H H >   3 TS+    0    0  -73.4  -34.5 -179.4   61.6  98.2  33.7    0  0.0   24 -3.0    0  0.0    0  0.0  8 27
   21 A  21    ALA A   H H >   < TS+    0    0  -57.9  -50.1  179.6   39.8 109.5  19.8   18 -1.5   25 -2.1    0  0.0    0  0.0 13 40
   22 A  22    ARG R   H H X     TS+    0    0  -65.0  -49.3  179.6   44.7 120.0  18.9   18 -1.3   26 -1.9    0  0.0    0  0.0 10 44
   23 A  23    SER S   H H X     TS+    0    0  -64.2  -31.4  179.6   59.0 109.9  34.9   19 -1.7   27 -1.8    0  0.0    0  0.0  8 29
   24 A  24    ARG R   H H X     TS+    0    0  -61.9  -54.9  179.9   47.5 104.5  14.8   20 -3.0   28 -3.4    0  0.0    0  0.0  9 34
   25 A  25    LEU L   H H X     TS+    0    0  -52.0  -52.7  178.2   45.8 114.9  19.4   21 -2.1   29 -1.8    0  0.0    0  0.0  9 42
   26 A  26    ALA A   H H <     TS+    0    0  -58.8  -33.4 -179.4   50.0 115.3  34.2   22 -1.9    0  0.0    0  0.0    0  0.0  8 31
   27 A  27    ASN N   H H <   > TS+    0    0  -72.5  -42.2 -178.3   47.1 110.5  28.9   23 -1.8   30 -0.9    0  0.0    0  0.0  8 26
   28 A  28    LEU L   H H X   > TS+    0    0  -72.5  -24.0 -177.5   86.3  88.5  44.1   24 -3.4   31 -2.3    0  0.0   32 -0.8 11 33
   29 A  29    ARG R   T h <   3 TS+    0    0  -49.1  -29.3  179.6   47.0  93.0  37.2   25 -1.8    0  0.0    0  0.0    0  0.0 10 29
   30 A  30    LEU L   T T 4   < TS+    0    0  -87.4  -16.4 -179.9   47.5 115.4  50.3   27 -0.9    0  0.0    0  0.0    0  0.0  7 18
   31 A  31    THR T   T T 4   < TS+    0    0  -86.8  -82.3  179.3    4.0 122.7  24.2   28 -2.3    0  0.0    0  0.0    0  0.0  6 22
   32 A  32    ARG R     h X     T -    0    0 -112.6  128.5  177.5 -160.3  50.6 158.4   28 -0.8   36 -1.0    0  0.0    0  0.0  9 27
   33 A  33    PRO P   H H >     TS+    0    0  -72.9  -19.1 -178.0   65.7  90.6  48.3    0  0.0   37 -1.8    0  0.0    0  0.0  9 25
   34 A  34    ASP D   H H >     TS+    0    0  -69.5  -48.5 -179.6   51.6  96.7  20.8    0  0.0   38 -2.0    0  0.0    0  0.0  8 31
   35 A  35    PHE F   H H >     TS+    0    0  -53.4  -54.0 -177.6   44.0 113.5  19.5    0  0.0   39 -2.4    0  0.0    0  0.0 14 40
   36 A  36    VAL V   H H X     TS+    0    0  -60.5  -47.0 -175.9   53.6 111.1  24.8   32 -1.0   40 -3.5    0  0.0    0  0.0 11 40
   37 A  37    GLU E   H H X     TS+    0    0  -57.3  -54.3 -179.4   31.0 119.5  16.7   33 -1.8   41 -1.7    0  0.0    0  0.0  8 30
   38 A  38    GLN Q   H H X     TS+    0    0  -70.0  -51.8  178.9   46.7 123.9  15.0   34 -2.0   42 -1.7    0  0.0    0  0.0  9 31
   39 A  39    ILE I   H H X     TS+    0    0  -56.6  -41.8 -179.8   59.8 107.4  24.3   35 -2.4   43 -4.2    0  0.0    0  0.0 11 45
   40 A  40    GLU E   H H X     TS+    0    0  -53.0  -50.4  179.6   52.3 102.3  21.2   36 -3.5   44 -4.5    0  0.0    0  0.0 10 41
   41 A  41    LEU L   H H X     TS+    0    0  -50.8  -53.0 -179.7   33.7 119.9  19.4   37 -1.7   45 -1.6    0  0.0    0  0.0  8 27
   42 A  42    GLN Q   H H X     TS+    0    0  -72.3  -33.5 -178.5   49.8 122.3  33.8   38 -1.7   46 -1.6    0  0.0    0  0.0  9 34
   43 A  43    LEU L   H H X     TS+    0    0  -71.0  -51.0 -179.2   45.9 111.1  19.9   39 -4.2   47 -2.7    0  0.0    0  0.0 11 48
   44 A  44    ILE I   H H X     TS+    0    0  -60.7  -42.1 -179.1   45.7 116.6  26.7   40 -4.5   48 -1.7    0  0.0    0  0.0  9 30
   45 A  45    GLN Q   H H X     TS+    0    0  -70.1  -37.4 -178.3   46.7 115.7  30.4   41 -1.6   49 -0.6    0  0.0    0  0.0  9 25
   46 A  46    LEU L   H H <     TS+    0    0  -70.7  -52.8 -178.0   38.8 117.5  17.7   42 -1.6    0  0.0    0  0.0    0  0.0 11 35
   47 A  47    ALA A   H H <     TS+    0    0  -64.7  -52.3 -179.2   54.9 112.3  17.5   43 -2.7    0  0.0    0  0.0    0  0.0 12 37
   48 A  48    GLN Q   H H <     TS+    0    0  -54.1  -23.2  179.9   94.3  94.7  41.6   44 -1.7    0  0.0    0  0.0    0  0.0  7 29
   49 A  49    MET M     h <     T -    0    0  -70.3  153.4 -179.9 -156.6  63.7 109.0   45 -0.6    0  0.0    0  0.0    0  0.0  9 28
   50 A  50    GLY G               +    0    0 -133.8   69.8  179.8   52.0  69.1 122.2    0  0.0    0  0.0    0  0.0    0  0.0  7 24
   51 A  51    ARG R   S S        S-    0    0 -156.1  -76.0 -179.9  -25.7 121.9  82.4    0  0.0    0  0.0    0  0.0    0  0.0  4 21
   52 A  52    VAL V   S S        S+    0    0 -146.0   27.6  179.7   99.9 102.9  87.9    0  0.0    0  0.0    0  0.0    0  0.0  6 24
   53 A  53    ARG R               +    0    0 -124.3  115.6 -179.3  174.7  43.5 164.1    0  0.0    0  0.0    0  0.0    0  0.0 10 28
   54 A  54    SER S               -    0    0 -120.3  150.2  179.7  -93.3  38.3 154.1    0  0.0    0  0.0    0  0.0    0  0.0 14 37
   55 A  55    LYS K               -    0    0  -59.4  145.2 -177.9  -93.9  53.6 102.8    0  0.0    0  0.0    0  0.0    0  0.0 12 47
   56 A  56    ILE I               -    0    0  -64.2  142.4 -179.8 -117.1  41.2 108.6    0  0.0    0  0.0    0  0.0    0  0.0 12 48
   57 A  57    THR T     h >     T -    0    0  -77.4  160.8  179.4 -105.4  26.3 109.8    0  0.0   61 -4.2    0  0.0    0  0.0 11 41
   58 A  58    ASP D   H H >     TS+    0    0  -54.1  -32.9  179.1   55.4 123.0  33.9    0  0.0   62 -2.6    0  0.0    0  0.0 12 38
   59 A  59    GLU E   H H >     TS+    0    0  -65.3  -52.9  179.0   35.0 115.2  15.7    0  0.0   63 -1.8    0  0.0    0  0.0  8 29
   60 A  60    GLN Q   H H >     TS+    0    0  -69.5  -36.7  177.6   57.0 116.3  28.8    0  0.0   64 -2.4    0  0.0    0  0.0  8 36
   61 A  61    LEU L   H H X     TS+    0    0  -58.0  -46.8  178.9   52.8 104.2  21.0   57 -4.2   65 -2.3    0  0.0    0  0.0 11 45
   62 A  62    LYS K   H H X     TS+    0    0  -54.1  -52.0  176.5   46.1 110.2  18.2   58 -2.6   66 -1.6    0  0.0    0  0.0  8 37
   63 A  63    GLU E   H H X     TS+    0    0  -57.9  -34.2  177.3   54.0 111.5  29.6   59 -1.8   67 -1.3    0  0.0    0  0.0  8 25
   64 A  64    LEU L   H H X     TS+    0    0  -67.3  -32.7  178.5   62.3  99.6  32.7   60 -2.4   68 -4.2    0  0.0    0  0.0 10 34
   65 A  65    LEU L   H H X     TS+    0    0  -58.1  -46.9  177.2   45.0 104.9  22.5   61 -2.3   69 -3.9    0  0.0    0  0.0  9 38
   66 A  66    LYS K   H H <     TS+    0    0  -64.7  -31.2  178.5   50.8 115.4  33.2   62 -1.6    0  0.0    0  0.0    0  0.0  8 25
   67 A  67    ARG R   H H <     TS+    0    0  -68.8  -53.1 -179.3   32.5 119.8  15.2   63 -1.3    0  0.0    0  0.0    0  0.0  7 25
   68 A  68    VAL V   H H <     TS+    0    0  -72.5  -42.2 -179.5   82.7 105.2  27.8   64 -4.2    0  0.0    0  0.0    0  0.0 10 30
   69 A  69    ALA A   S h <     TS-    0    0  -69.9  122.7  179.8 -132.6  80.8 121.2   65 -3.9    0  0.0    0  0.0    0  0.0  9 26
   70 A  70    GLY G               -    0    0  -57.1 -164.3  179.9  -65.5  39.0  72.3    0  0.0    0  0.0    0  0.0    0  0.0  6 19
   71 A  71    LYS K                    0    0  -88.5  159.9 -180.0  999.9 999.9 119.6    0  0.0    0  0.0    0  0.0    0  0.0  3 12
   72 A  72    LYS K                    0    0 -144.5  999.9  999.9  999.9 999.9  60.5    0  0.0    0  0.0    0  0.0    0  0.0  2  9
 
 1eijA.pdb                                                   
 1EIJ  STRUCTURAL GENOMICS  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                            author   
 Kabs/Sand    SSS  SSHHHHTTS  HHHHHHHHHHTTT HHHHHHHHHHHHHHHH  SS     HHHHHHHHHHHS     Kabs/Sand
 chirality   +++---+++++++-+--+++++++++++++-++++++++++++++++-+-++----+++++++++++--    chirality
     bends    SSS  SSSSSSSSS  SSSSSSSSSSSSS SSSSSSSSSSSSSSSS  SS     SSSSSSSSSSSS     bends    
     turns          TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT       TTTTTTTTTTTTT     turns    
   5-turns                                                                            5-turns  
   3-turns          >33X33<  >33<     >>3<<                                           3-turns  
  bridge-2                                                                            bridge-2 
  bridge-1                                                                            bridge-1 
    sheets                                                                            sheets   
   4-turns          >>4><<4< >>>>XXXX<>>XXXXXXXXXX<<<<       >>>>XXXXX<<<<     4-turns  
   summary    SSS  ShHHHHhTt hHHHHHHHHHHhTThHHHHHHHHHHHHHHHHh SS    hHHHHHHHHHHHh     summary  
  sequence  MRQQLEMQKKQIMMQILTPEARSRLANLRLTRPDFVEQIELQLIQLAQMGRVRSKITDEQLKELLKRVAGKK  sequence 
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