Secondary structure calculation program - copyright by David Keith Smith, 1989
 2mtaC.pdb                                                   
 2MTA  ELECTRON TRANSPORT  METHYLAMINE DEHYDROGENASE (E.C.1.4.99.3) COMPLEX W  (PARACOCCUS DENITRIFICANS)  
 Sequence length -  147
             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 C   1    ALA A                    0    0  999.9  140.1  152.9  999.9 999.9 999.9    0  0.0    3 -1.4    0  0.0    0  0.0  2 20
    2 C   2    PRO P               -    0    0  -66.7   93.1  166.8 -102.4 999.9 130.3    0  0.0    0  0.0    0  0.0    0  0.0  3 22
    3 C   3    GLN Q   S S        S+    0    0   42.1  -95.2 -161.6   42.0  85.0  93.5    1 -1.4    5 -0.7    0  0.0    0  0.0  6 33
    4 C   4    PHE F               +    0    0 -112.6  111.8  176.5  143.8  51.7 132.1    0  0.0   13 -1.8    0  0.0    0  0.0 10 41
    5 C   5    PHE F   B B   A     -   12    0 -132.1  153.1 -179.4  -97.1  56.3 163.2    3 -0.7    0  0.0    0  0.0    0  0.0 11 35
    6 C   6    ASN N               -    0    0  -62.7  131.4 -175.4 -132.8  38.0 123.0   11 -3.1    0  0.0    0  0.0    0  0.0 14 37
    7 C   7    ILE I   S S        S+    0    0  -71.4  -28.8  172.3   25.1  99.2  39.6    0  0.0    0  0.0    0  0.0    0  0.0 12 39
    8 C   8    ILE I   S S        S-    0    0  -90.4  -71.1  158.0  -52.4 130.4  29.1    0  0.0    0  0.0    0  0.0    0  0.0  7 31
    9 C   9    ASP D   S S        S+    0    0  170.8  131.1  168.7   85.8  95.2 111.6    0  0.0    0  0.0    0  0.0    0  0.0  6 25
   10 C  10    GLY G   S S        S-    0    0 -162.4   16.8 -157.1 -148.0  73.4  90.0    0  0.0    0  0.0    0  0.0    0  0.0  7 20
   11 C  11    SER S               +    0    0   13.5  -94.3 -161.1   63.4  66.2 121.7    0  0.0    6 -3.1    0  0.0    0  0.0  9 26
   12 C  12    PRO P   B B   A    S-    5    0  -55.7  130.4  178.4 -128.9  81.6  93.7    0  0.0    0  0.0    0  0.0    0  0.0  7 28
   13 C  13    LEU L               -    0    0  -70.3  139.9  179.9 -129.6  21.8 124.7    4 -1.8   15 -1.0    0  0.0    0  0.0 11 35
   14 C  14    ASN N     g     > T -    0    0 -104.8  111.5 -171.1 -176.8  25.1 136.4    0  0.0   17 -1.7    0  0.0    0  0.0  6 32
   15 C  15    PHE F   G G     > TS+    0    0  -78.7   -5.9  173.0   81.2  71.5  52.0   13 -1.0   18 -1.2    0  0.0    0  0.0  5 41
   16 C  16    ASP D   G G     3 TS+    0    0  -71.0   -9.0  176.8   58.8  88.9  54.1    0  0.0    0  0.0    0  0.0    0  0.0  4 24
   17 C  17    ASP D   G G     < TS+    0    0  -91.3  -13.6 -175.7  106.0  82.8  52.0   14 -1.7    0  0.0    0  0.0    0  0.0  7 25
   18 C  18    ALA A   S g     < TS-    0    0  -65.6  151.5  174.4 -103.6  81.7 105.9   15 -1.2    0  0.0    0  0.0    0  0.0 11 35
   19 C  19    MET M     g     > T -    0    0  -64.8  141.4  170.9 -145.7  19.2 119.8    0  0.0   22 -0.6    0  0.0    0  0.0 11 26
   20 C  20    GLU E   G G     > TS+    0    0  -77.7  -20.3  175.8   94.1  83.9  38.2    0  0.0   23 -1.5    0  0.0    0  0.0  7 22
   21 C  21    GLU E   G G     3 TS+    0    0  -49.9   -4.4  169.1   10.4 102.3  68.0    0  0.0    0  0.0    0  0.0    0  0.0  6 22
   22 C  22    GLY G   G G     < TS+    0    0 -162.6   30.4 -176.6   99.6  91.8  70.5   19 -0.6  111 -0.8    0  0.0    0  0.0 10 31
   23 C  23    ARG R     g     < T +    0    0  -97.9    7.0 -173.0   82.4  68.7  63.2   20 -1.5    0  0.0    0  0.0    0  0.0 12 33
   24 C  24    ASP D               +    0    0  -79.5  -29.0 -166.1  113.1  64.2  49.5    0  0.0    0  0.0    0  0.0    0  0.0  8 24
   25 C  25    THR T   S h >     TS-    0    0  -64.2  169.7  178.6 -120.9  73.5  82.9    0  0.0   29 -2.7    0  0.0    0  0.0  8 28
   26 C  26    GLU E   H H >     TS+    0    0  -70.1  -41.2  175.6   54.5 116.3  22.5    0  0.0   30 -3.6    0  0.0    0  0.0  6 28
   27 C  27    ALA A   H H >     TS+    0    0  -54.8  -56.6  177.6   42.4 111.0  19.0    0  0.0   31 -3.2    0  0.0    0  0.0 11 36
   28 C  28    VAL V   H H >     TS+    0    0  -60.9  -44.9  176.8   47.5 117.7  20.7    0  0.0   32 -2.8    0  0.0    0  0.0 13 43
   29 C  29    LYS K   H H X     TS+    0    0  -59.0  -47.3 -178.7   46.2 114.5  14.0   25 -2.7   33 -1.6    0  0.0    0  0.0 10 32
   30 C  30    HIS H   H H X   > TS+    0    0  -60.6  -49.5 -179.7   45.3 115.8  19.6   26 -3.6   34 -2.4    0  0.0   33 -0.5 12 27
   31 C  31    PHE F   H H X   3 TS+    0    0  -63.7  -42.0 -177.9   54.1 109.4  25.0   27 -3.2   35 -3.0    0  0.0    0  0.0 11 41
   32 C  32    LEU L   H H <   3 TS+    0    0  -66.4  -23.4 -179.0   37.6 117.4  37.3   28 -2.8    0  0.0    0  0.0    0  0.0  8 41
   33 C  33    GLU E   H H <   < TS+    0    0  -94.9  -29.4 -178.3   18.7 135.6  43.6   29 -1.6    0  0.0   30 -0.5    0  0.0  6 25
   34 C  34    THR T   H H <     TS-    0    0 -115.6  -19.8 -177.2 -125.4  90.1  47.4   30 -2.4    0  0.0    0  0.0    0  0.0  6 27
   35 C  35    GLY G   S h <     TS+    0    0   79.9   17.3 -173.7  126.9  70.6  53.2   31 -3.0    0  0.0    0  0.0    0  0.0 10 41
   36 C  36    GLU E               -    0    0 -114.1  135.1 -175.7 -145.2  54.1 150.6    0  0.0   38 -0.8    0  0.0    0  0.0 10 44
   37 C  37    ASN N     t     > T -    0    0 -107.3  106.7 -178.4 -166.3   7.3 150.2    0  0.0   40 -1.6    0  0.0    0  0.0 12 52
   38 C  38    VAL V   T T     3 TS+    0    0  -63.6  -14.6  177.7   72.7  80.0  50.0   36 -0.8    0  0.0    0  0.0    0  0.0  8 47
   39 C  39    TYR Y   T T     > T +    0    0  -75.7   -9.2 -175.7  122.4  65.1  52.1    0  0.0   42 -2.6    0  0.0    0  0.0 11 51
   40 C  40    ASN N   T T     < TS-    0    0  -65.6  127.3 -178.6   -9.9  95.0 108.2   37 -1.6    0  0.0    0  0.0    0  0.0 12 56
   41 C  41    GLU E   T T     3 TS+    0    0   60.0   16.9  179.0  154.7  91.1  55.9    0  0.0    0  0.0    0  0.0    0  0.0 11 43
   42 C  42    ASP D     t >   X T -    0    0  -74.0  105.1 -171.8 -157.0  34.0 127.8   39 -2.6   46 -2.1    0  0.0   45 -1.7  8 38
   43 C  43    PRO P   T T 4   3 TS+    0    0  -59.6  -24.1  173.8   60.3  92.9  41.6    0  0.0    0  0.0    0  0.0    0  0.0  6 27
   44 C  44    GLU E   T T 4   3 TS+    0    0  -61.0  -47.3 -174.1   34.9 112.1  30.9    0  0.0    0  0.0    0  0.0    0  0.0  5 23
   45 C  45    ILE I   T h >   X TS+    0    0  -79.5  -40.2 -165.3   85.4  95.6  29.3   42 -1.7   49 -2.0    0  0.0   48 -1.7 10 32
   46 C  46    LEU L   H H X   3 TS+    0    0  -54.6  -25.5  174.3   54.0  83.7  51.2   42 -2.1   50 -1.8    0  0.0    0  0.0 13 35
   47 C  47    PRO P   H H >   3 TS+    0    0  -77.2  -31.6  175.4   42.4 113.7  28.3    0  0.0   51 -0.7    0  0.0    0  0.0  8 27
   48 C  48    GLU E   H H >   X TS+    0    0  -69.7  -48.2 -179.7   56.1 112.5  17.0   45 -1.7   52 -2.4    0  0.0   51 -1.5  8 31
   49 C  49    ALA A   H H X   3 TS+    0    0  -45.0  -52.5  177.3   53.6 103.7  26.8   45 -2.0   53 -2.7    0  0.0    0  0.0 14 41
   50 C  50    GLU E   H H X   3 TS+    0    0  -55.6  -32.5 -179.8   45.9 111.3  41.2   46 -1.8   54 -2.1    0  0.0    0  0.0 10 40
   51 C  51    GLU E   H H X   < TS+    0    0  -84.4  -32.7  174.2   53.1 109.0  35.6   48 -1.5   55 -2.1   47 -0.7    0  0.0  8 32
   52 C  52    LEU L   H H X     TS+    0    0  -61.0  -44.9  177.0   48.2 112.1  10.9   48 -2.4   56 -2.2    0  0.0    0  0.0 12 41
   53 C  53    TYR Y   H H X    >TS+    0    0  -58.7  -57.7  179.9   49.4 110.9  20.6   49 -2.7   57 -3.4    0  0.0   58 -1.4 12 45
   54 C  54    ALA A   H H <    5TS+    0    0  -56.2  -34.5 -178.6   47.3 112.7  29.2   50 -2.1    0  0.0    0  0.0    0  0.0 10 35
   55 C  55    GLY G   H H <    5TS+    0    0  -75.0  -36.1 -169.9   20.6 128.1  22.8   51 -2.1    0  0.0    0  0.0    0  0.0  7 28
   56 C  56    MET M   H H <    5TS+    0    0 -108.9  -14.0 -164.9   24.7 130.0  43.4   52 -2.2    0  0.0    0  0.0    0  0.0  7 43
   57 C  57    CYS C   T h X   >5TS+    0    0 -130.0  -32.5 -177.0   78.0  91.8  40.0   53 -3.4   61 -2.3    0  0.0   60 -0.8 10 50
   58 C  58    SER S   H H >   3 T -    0    0   79.6  166.4 -174.1  -64.5  34.0  88.6   58 -1.4   65 -1.8    0  0.0    0  0.0 12 31
   63 C  63    HIS H   T T     3 TS+    0    0  -56.6  -50.7  178.4   26.1 135.5  28.5    0  0.0    0  0.0    0  0.0    0  0.0  8 36
   64 C  64    TYR Y   T T     3 TS-    0    0 -105.0   30.4 -177.9 -105.9 114.3  94.3    0  0.0    0  0.0    0  0.0    0  0.0 10 42
   65 C  65    ALA A   S t     < TS+    0    0   45.2   38.3  178.1  133.2  82.4  37.3   62 -1.8   73 -2.6    0  0.0   74 -1.0 13 45
   66 C  66    GLU E   S S        S-    0    0  -90.9  -13.5  171.5  -95.5  73.2  52.8    0  0.0    0  0.0    0  0.0    0  0.0 11 35
   67 C  67    GLY G               +    0    0  117.9  148.2  170.5  159.8  54.4  96.4   61 -3.0    0  0.0    0  0.0    0  0.0 12 31
   68 C  68    LYS K   S S        S-    0    0 -157.1 -104.4  175.6   -2.3  82.8 110.5   70 -2.3    0  0.0    0  0.0    0  0.0 10 21
   69 C  69    ILE I   S S        S+    0    0  -59.8  -47.2 -179.4   29.5 141.0  26.2   60 -0.6    0  0.0    0  0.0    0  0.0  7 21
   70 C  70    GLY G   S S        S-    0    0 -107.0 -178.2 -170.9  -68.2 107.6 123.8   60 -2.0   68 -2.3    0  0.0    0  0.0  7 30
   71 C  71    PRO P               -    0    0  -75.3  166.0  172.8  -92.6  48.9  95.4    0  0.0    0  0.0    0  0.0    0  0.0 10 35
   72 C  72    GLY G               -    0    0  -75.4  144.0  178.2 -170.2  25.2 120.9    0  0.0    0  0.0    0  0.0    0  0.0 11 39
   73 C  73    LEU L               +    0    0 -112.0    8.2 -174.9   91.2  64.4  85.6   65 -2.6    0  0.0    0  0.0    0  0.0 11 54
   74 C  74    ASN N   S S        S+    0    0 -102.4   23.8 -176.6   39.6  77.3  75.4   65 -1.0  125 -2.4    0  0.0    0  0.0 13 49
   75 C  75    ASP D   S S        S-    0    0 -149.6 -170.9 -177.0  -78.3  94.8 141.6    0  0.0    0  0.0    0  0.0    0  0.0  9 41
   76 C  76    ALA A   S S        S+    0    0  -84.5    4.7  178.3   93.3  94.1  69.7    0  0.0   78 -0.6    0  0.0    0  0.0  7 37
   77 C  77    TYR Y               +    0    0 -102.0  130.6  178.9  179.9  49.7 155.7    0  0.0    0  0.0    0  0.0    0  0.0  5 31
   78 C  78    TRP W               -    0    0 -128.0  123.2  175.7 -144.1  29.1 173.5   76 -0.6    0  0.0    0  0.0    0  0.0 10 39
   79 C  79    THR T   S S        S+    0    0  -54.6  -32.2  176.8   47.1 103.7  37.0    0  0.0    0  0.0    0  0.0    0  0.0  4 27
   80 C  80    TYR Y   S g     > TS-    0    0 -113.1  118.6 -172.3 -148.1  87.5 164.5    0  0.0   83 -1.3    0  0.0    0  0.0  6 33
   81 C  81    PRO P   G G     > TS+    0    0  -58.1  -35.5  177.7   69.7  89.1  29.2    0  0.0   84 -1.6    0  0.0    0  0.0  7 31
   82 C  82    GLY G   G G     > TS+    0    0  -52.6  -29.2 -176.2   81.1  77.6  40.7    0  0.0   85 -2.3    0  0.0   88 -0.6  9 41
   83 C  83    ASN N   G G     < T +    0    0  -68.2    0.6  171.5   81.7  68.1  61.4   80 -1.3    0  0.0    0  0.0    0  0.0 11 48
   84 C  84    GLU E   G G     < TS+    0    0  -66.9  -22.3 -179.6   56.6  97.0  50.1   81 -1.6    0  0.0    0  0.0    0  0.0 11 44
   85 C  85    THR T   S h >   < TS-    0    0 -108.4  158.6  179.8 -124.5  88.4 150.0   82 -2.3   89 -2.9    0  0.0    0  0.0  9 50
   86 C  86    ASP D   H H >     TS+    0    0  -74.9  -36.6  172.8   59.3 110.8  23.6    0  0.0   90 -3.2    0  0.0    0  0.0 12 60
   87 C  87    VAL V   H H >     TS+    0    0  -53.6  -47.0  177.3   39.2 112.6  21.8    0  0.0   91 -2.5    0  0.0    0  0.0 12 55
   88 C  88    GLY G   H H >     TS+    0    0  -70.9  -43.3 -178.6   51.6 114.5  19.8   82 -0.6   92 -2.6    0  0.0    0  0.0 12 51
   89 C  89    LEU L   H H X     TS+    0    0  -60.6  -44.4  175.2   47.3 113.3  17.2   85 -2.9   93 -2.0    0  0.0    0  0.0 12 67
   90 C  90    PHE F   H H X     TS+    0    0  -56.4  -49.0  178.0   53.3 109.5  22.0   86 -3.2   94 -3.3    0  0.0    0  0.0 11 67
   91 C  91    SER S   H H X    >TS+    0    0  -59.4  -35.5  176.9   53.0 106.4  22.5   87 -2.5   95 -1.8    0  0.0   96 -0.7 14 57
   92 C  92    THR T   H H X    5TS+    0    0  -66.0  -40.5 -177.1   40.6 115.2  21.2   88 -2.6   96 -1.8    0  0.0    0  0.0 13 53
   93 C  93    LEU L   H H <    5TS+    0    0  -77.2  -37.2 -175.1   40.8 120.5  21.0   89 -2.0  104 -2.5    0  0.0    0  0.0 13 60
   94 C  94    TYR Y   H H <    5TS+    0    0  -70.2  -52.6 -172.4   28.9 128.8   7.2   90 -3.3  105 -1.0    0  0.0    0  0.0 11 57
   95 C  95    GLY G   H H <    5TS-    0    0  -79.7  -39.0 -175.5 -133.7 102.8  38.3   91 -1.8    0  0.0    0  0.0    0  0.0 14 46
   96 C  96    GLY G     h <     TS+    0    0 -124.1  165.1 -178.1    2.9  94.0 141.6    0  0.0  101 -1.3    0  0.0    0  0.0  7 24
   99 C  99    GLY G   T T     3 TS-    0    0   74.7 -138.0 -178.1  -10.5 128.3 114.7    0  0.0    0  0.0    0  0.0    0  0.0  5 19
  100 C 100    GLN Q   T T     3 TS+    0    0  -83.3    3.7  174.8   89.6 114.7  84.2    0  0.0  102 -0.8    0  0.0    0  0.0  4 23
  101 C 101    MET M     t     < T +    0    0  -99.8   82.0 -179.9  162.8  67.3 144.4   98 -1.3   97 -2.2    0  0.0    0  0.0  7 38
  102 C 102    GLY G               -    0    0  -92.9 -174.4  178.1  -58.0  44.5 100.9  100 -0.8    0  0.0    0  0.0    0  0.0 10 31
  103 C 103    PRO P               -    0    0  -64.2  141.7 -173.7 -158.2  39.7 114.0    0  0.0    0  0.0    0  0.0    0  0.0 11 42
  104 C 104    MET M     t >   > T +    0    0 -109.7    2.2  179.0   99.1  64.0  57.5   93 -2.5  107 -1.9    0  0.0  108 -1.2 10 44
  105 C 105    TRP W   T T 4   3 TS+    0    0  -62.1  -14.7 -175.2   62.4  78.0  47.3   94 -1.0    0  0.0    0  0.0    0  0.0 13 41
  106 C 106    GLY G   T T 4   3 TS+    0    0  -94.2   -0.2  175.0   30.5 113.8  64.6    0  0.0    0  0.0    0  0.0    0  0.0  9 29
  107 C 107    SER S   T T 4   < TS+    0    0 -123.2  -11.3 -169.5   53.6 117.0  65.2  104 -1.9    0  0.0    0  0.0    0  0.0  5 33
  108 C 108    LEU L     t <     T -    0    0 -136.9  137.4  176.5 -132.5  69.4 169.7  104 -1.2    0  0.0    0  0.0    0  0.0 10 42
  109 C 109    THR T     h >   > T -    0    0  -76.2  156.3  176.4 -106.1  39.4 121.2    0  0.0  113 -1.8    0  0.0  112 -0.7 14 42
  110 C 110    LEU L   H H >   3 TS+    0    0  -50.4  -39.6 -178.9   50.2 123.2  28.1    0  0.0  114 -2.1    0  0.0    0  0.0 12 53
  111 C 111    ASP D   H H >   3 TS+    0    0  -75.1  -28.7  173.1   53.8 107.2  32.0   22 -0.8  115 -1.2    0  0.0    0  0.0 12 52
  112 C 112    GLU E   H H >   < TS+    0    0  -68.3  -33.8  175.6   54.7 105.9  27.2  109 -0.7  116 -2.6    0  0.0    0  0.0 11 56
  113 C 113    MET M   H H X     TS+    0    0  -62.2  -58.6  177.0   47.1 108.2   6.3  109 -1.8  117 -2.7    0  0.0    0  0.0 11 64
  114 C 114    LEU L   H H X     TS+    0    0  -57.7  -24.2  177.7   53.6 110.4  36.8  110 -2.1  118 -1.2    0  0.0    0  0.0 13 65
  115 C 115    ARG R   H H X     TS+    0    0  -74.3  -44.1  176.0   46.4 110.3  14.8  111 -1.2  119 -1.0    0  0.0    0  0.0 14 55
  116 C 116    THR T   H H X   > TS+    0    0  -61.3  -34.3  179.1   56.8 109.0  26.3  112 -2.6  120 -2.6    0  0.0  119 -0.5 12 60
  117 C 117    MET M   H H X   3 TS+    0    0  -63.9  -34.6 -173.8   54.9 102.2  25.7  113 -2.7  121 -3.1    0  0.0    0  0.0 13 67
  118 C 118    ALA A   H H X   3 TS+    0    0  -75.3  -22.9  177.9   50.6 106.5  32.8  114 -1.2  122 -1.2    0  0.0    0  0.0 14 63
  119 C 119    TRP W   H H X   < TS+    0    0  -78.5  -39.2  171.8   49.3 110.3  18.5  115 -1.0  123 -2.4  116 -0.5    0  0.0 13 60
  120 C 120    VAL V   H H <     TS+    0    0  -55.9  -49.1  179.0   49.0 112.3  13.7  116 -2.6    0  0.0    0  0.0    0  0.0 12 70
  121 C 121    ARG R   H H <   > TS+    0    0  -63.0  -26.4  178.9   52.2 110.0  37.8  117 -3.1  124 -0.6    0  0.0    0  0.0 10 68
  122 C 122    HIS H   H H <   3 TS+    0    0  -80.1  -30.3  178.0   61.6 100.0  35.0  118 -1.2    0  0.0    0  0.0    0  0.0  9 61
  123 C 123    LEU L   T h <   3 TS+    0    0  -73.7    3.9 -174.9  126.9  77.6  64.2  119 -2.4    0  0.0    0  0.0    0  0.0 11 55
  124 C 124    TYR Y     t     < T -    0    0  -69.9  138.6 -177.8 -172.1  38.9 110.9  121 -0.6  145 -2.3    0  0.0    0  0.0 11 52
  125 C 125    THR T               +    0    0 -114.9    4.1  176.3   91.3  56.0  70.7   74 -2.4    0  0.0    0  0.0    0  0.0  9 37
  126 C 126    GLY G   S S        S-    0    0  -76.8 -149.9 -176.7  -92.1  84.0  79.6    0  0.0    0  0.0    0  0.0    0  0.0 10 32
  127 C 127    ASP D     t     > T -    0    0 -127.8  154.7  173.0  -88.8  39.5 154.7    0  0.0  129 -1.3    0  0.0  130 -1.1  8 29
  128 C 128    PRO P   T T     3 TS+    0    0  -64.6   93.3  176.5   73.2 109.8 119.9    0  0.0    0  0.0    0  0.0    0  0.0  8 31
  129 C 129    LYS K   T T     3 TS+    0    0 -162.6  -55.6  171.3   38.0 103.0  97.3  127 -1.3  131 -1.3    0  0.0    0  0.0  5 26
  130 C 130    ASP D   S t     < TS+    0    0 -102.5   79.2  168.4  100.4  89.8 148.6  127 -1.1    0  0.0    0  0.0    0  0.0  7 33
  131 C 131    ALA A     t     > T +    0    0 -153.4   55.4 -175.1  152.5  41.7 109.3  129 -1.3  134 -1.8    0  0.0    0  0.0  9 45
  132 C 132    SER S   T T     3 T +    0    0  -65.1  -21.4  179.2   66.4  62.7  53.4    0  0.0    0  0.0    0  0.0    0  0.0  9 41
  133 C 133    TRP W   T T     3 TS+    0    0  -76.9  -16.4 -179.8   80.8  91.5  52.3    0  0.0    0  0.0    0  0.0    0  0.0  8 50
  134 C 134    LEU L   S t     < TS-    0    0  -96.0  143.0  176.7 -132.3  76.1 131.0  131 -1.8    0  0.0    0  0.0    0  0.0  9 44
  135 C 135    THR T     h >     T -    0    0  -84.1  175.2 -171.5  -94.7  38.6 119.1    0  0.0  139 -3.4    0  0.0    0  0.0  7 31
  136 C 136    ASP D   H H >     TS+    0    0  -67.0  -30.8  179.3   44.2 126.0  36.3    0  0.0  140 -2.2    0  0.0    0  0.0  6 20
  137 C 137    GLU E   H H >     TS+    0    0  -80.6  -36.5  179.9   50.9 113.8  29.7    0  0.0  141 -1.1    0  0.0    0  0.0  7 20
  138 C 138    GLN Q   H H 4   > TS+    0    0  -69.4  -38.8  176.4   45.9 113.9  18.1    0  0.0  141 -0.9    0  0.0    0  0.0 10 31
  139 C 139    LYS K   H H <   > TS+    0    0  -62.5  -41.8  179.9   61.2 105.8  23.3  135 -3.4  142 -1.6    0  0.0    0  0.0 10 30
  140 C 140    ALA A   H H <   3 TS+    0    0  -58.2  -29.1  175.3   34.6 113.1  42.7  136 -2.2    0  0.0    0  0.0    0  0.0  6 21
  141 C 141    GLY G   T h <   < TS+    0    0 -107.3   12.2 -176.4  119.5  94.1  75.4  137 -1.1    0  0.0  138 -0.9    0  0.0  6 24
  142 C 142    PHE F     t     < T -    0    0  -90.5  133.0  178.0 -169.3  41.2 130.3  139 -1.6    0  0.0    0  0.0    0  0.0  8 34
  143 C 143    THR T               -    0    0 -119.7  122.6  170.1 -110.8  29.7 169.9    0  0.0    0  0.0    0  0.0    0  0.0  5 33
  144 C 144    PRO P               -    0    0  -48.7  129.8 -173.3  -97.3  50.7 101.9    0  0.0    0  0.0    0  0.0    0  0.0  9 33
  145 C 145    PHE F               -    0    0  -67.8  136.5  175.9 -166.8  39.6 112.5  124 -2.3    0  0.0    0  0.0    0  0.0  8 32
  146 C 146    GLN Q                    0    0 -123.1  114.6  145.7  999.9 999.9 178.5    0  0.0    0  0.0    0  0.0    0  0.0  4 20
  147 C 147    PRO P                    0    0  -72.8  999.9  999.9  999.9 999.9 150.4    0  0.0    0  0.0    0  0.0    0  0.0  3 19
 
 2mtaC.pdb                                                   
 2MTA  ELECTRON TRANSPORT  METHYLAMINE DEHYDROGENASE (E.C.1.4.99.3) COMPLEX W  (PARACOCCUS DENITRIFICANS)  
 
    author                                                                                                        author   
 Kabs/Sand    S B SSSS B  GGGS GGG  SHHHHHHHHHS  TTTT TTTHHHHHHHHHHHTHHHH TTSS SSS   SSS  SSGGGGSHHHHHHHHHH  STT  Kabs/Sand
 chirality   -++--+-+-+---+++--+++++-++++++++-+--++-+-++++++++++++++++++--+-+-+-+---++-++-+-++++-+++++++++---+-+  chirality
     bends    S   SSSS S  SSSS SSS  SSSSSSSSSSS  S SS SSSSSSSSSSSSSSSSSSS SSSS SSS   SSS  SSSS SSSSSSSSSSSS  SSS  bends    
     turns               TTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT              TTTTTTTTTTTTTTTTT TTT  turns    
   5-turns                                                      >5555<                                >5555<      5-turns  
   3-turns               >>3<<>>3<<      >33<   >3><3X33X33X33<     >33< >33<              >>><<<            >33  3-turns  
  bridge-2                                                                                                        bridge-2 
  bridge-1      A      A                                                                                          bridge-1 
    sheets                                                                                                        sheets   
   4-turns                          >>>>XXX<<<<      >44>X>>XXXXX<<44<<                      >>>>XXXX<<<<      4-turns  
   summary    S B SSSS B gGGGggGGGg hHHHHHHHHHh tTTTTtTThHHHHHHHHHHHhHHHHhTTtS SSS   SSS  SgGGGGhHHHHHHHHHHh tTT  summary  
  sequence  APQFFNIIDGSPLNFDDAMEEGRDTEAVKHFLETGENVYNEDPEILPEAEELYAGMCSGCHGHYAEGKIGPGLNDAYWTYPGNETDVGLFSTLYGGATGQ  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                   author   
 Kabs/Sand      TTT  HHHHHHHHHHHHHT  S TTS TTS HHHHHT        Kabs/Sand
 chirality  +--++++--++++++++++++++-+--++++++--++++++----    chirality
     bends      SSS  SSSSSSSSSSSSSS  S SSS  SS SSSSSS        bends    
     turns  T  TTTTTTTTTTTTTTTTTTTTT  TTTTTTTTTTTTTTTT       turns    
   5-turns                                                   5-turns  
   3-turns  <  >33< >33<   >33< >33<  >33<>33<   >>3<<       3-turns  
  bridge-2                                                   bridge-2 
  bridge-1                                                   bridge-1 
    sheets                                                   sheets   
   4-turns     >444<>>>>XXXXXXX<<<<           >>>4<<<        4-turns  
   summary  t  tTTTthHHHHHHHHHHHHHht StTTttTTthHHHHHht       summary  
  sequence  MGPMWGSLTLDEMLRTMAWVRHLYTGDPKDASWLTDEQKAGFTPFQP  sequence 
                   110       120       130       140