Secondary structure calculation program - copyright by David Keith Smith, 1989
 1cl1A.pdb                                                   
 1CL1  METHIONINE BIOSYNTHESIS  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  390
             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   5    LYS K     h >     T      0    0  999.9   -0.2  178.5  999.9 999.9 999.9    0  0.0    5 -2.5    0  0.0    0  0.0  4 18
    2 A   6    LEU L   H H >     T +    0    0  -58.0  -46.3 -179.9   51.7 999.9  20.5    0  0.0    6 -3.0    0  0.0    0  0.0  6 34
    3 A   7    ASP D   H H >     TS+    0    0  -57.4  -39.6  178.9   49.0 110.3  27.2    0  0.0    7 -1.7    0  0.0    0  0.0  7 30
    4 A   8    THR T   H H >     TS+    0    0  -67.6  -40.5  177.9   49.3 111.4  27.1    0  0.0    8 -1.5    0  0.0    0  0.0  7 20
    5 A   9    GLN Q   H H X     TS+    0    0  -63.8  -46.1 -179.8   53.7 107.9  22.0    1 -2.5    9 -2.8    0  0.0    0  0.0  9 33
    6 A  10    LEU L   H H <     TS+    0    0  -56.9  -40.6  179.8   48.2 109.7  29.0    2 -3.0    0  0.0    0  0.0    0  0.0 13 44
    7 A  11    VAL V   H H <     TS+    0    0  -70.3  -31.3 -176.6   31.3 123.3  33.8    3 -1.7    0  0.0    0  0.0    0  0.0  9 36
    8 A  12    ASN N   H H <   > TS+    0    0 -105.4  -15.8 -178.3  125.6  80.7  50.4    4 -1.5   11 -2.1    0  0.0    0  0.0  7 37
    9 A  13    ALA A   T h <   3 TS-    0    0  -52.1  123.1  178.9   -3.0  88.0 102.2    5 -2.8    0  0.0    0  0.0    0  0.0 11 48
   10 A  14    GLY G   T T     3 TS+    0    0   75.5    3.4 -178.4  125.4  92.8  65.5    0  0.0   12 -0.8    0  0.0    0  0.0 10 51
   11 A  15    ARG R     t     < T +    0    0  -93.2   51.0  178.4  150.9  28.3 103.3    8 -2.1    0  0.0    0  0.0    0  0.0 12 42
   12 A  16    SER S     h >   > T -    0    0  -74.0  155.5  179.2 -115.5  58.9 114.4   10 -0.8   16 -1.8    0  0.0   15 -1.7  7 31
   13 A  17    LYS K   H H >   3 TS+    0    0  -61.7  -27.4  179.0   70.7 113.7  36.7    0  0.0   17 -2.7    0  0.0    0  0.0  7 23
   14 A  18    LYS K   H H 4   3 TS+    0    0  -57.6  -30.6 -179.0   31.9 110.3  38.1    0  0.0    0  0.0    0  0.0    0  0.0  5 30
   15 A  19    TYR Y   H H 4   < TS+    0    0  -98.7  -31.6 -178.3   40.2 125.6  42.5   12 -1.7   23 -2.8    0  0.0    0  0.0 12 38
   16 A  20    THR T   H H <   > TS-    0    0  -89.8  -31.3 -179.3 -157.5  79.3  41.4   12 -1.8   19 -1.9    0  0.0    0  0.0 12 32
   17 A  21    LEU L   T h <   3 TS-    0    0   53.8   40.0  179.4  -34.1  80.6  32.8   13 -2.7    0  0.0    0  0.0    0  0.0  8 20
   18 A  22    GLY G   T T     3 TS+    0    0  107.0  -25.1  179.5  104.3 119.6  84.4    0  0.0    0  0.0    0  0.0    0  0.0  5 15
   19 A  23    ALA A   S t     < TS-    0    0  -84.9  169.8  178.9 -120.0  76.8 109.7   16 -1.9    0  0.0    0  0.0    0  0.0  7 23
   20 A  24    VAL V   S S        S+    0    0  -73.9  -47.2  180.0   44.2  98.6  20.4    0  0.0    0  0.0    0  0.0    0  0.0  6 28
   21 A  25    ASN N   S S        S-    0    0  -96.1  159.3  179.6  -90.4 102.1 123.8    0  0.0    0  0.0    0  0.0    0  0.0  7 40
   22 A  26    SER S               -    0    0  -63.9  154.4  178.3 -104.0  48.4 106.2    0  0.0    0  0.0    0  0.0    0  0.0 13 42
   23 A  27    VAL V               -    0    0  -75.4  160.1  177.7 -118.8  28.7 111.4   15 -2.8   25 -0.7    0  0.0    0  0.0 10 35
   24 A  28    ILE I               -    0    0 -103.0  110.4  180.0 -172.5  29.5 157.2    0  0.0   26 -0.7    0  0.0    0  0.0  9 38
   25 A  29    GLN Q               -    0    0 -107.8  100.6  179.8 -166.4   3.6 154.6   23 -0.7   27 -0.5    0  0.0    0  0.0  8 40
   26 A  30    ARG R               +    0    0  -86.8  124.0 -178.7  138.1  29.8 142.8   24 -0.7    0  0.0    0  0.0    0  0.0  8 32
   27 A  31    ALA A               +    0    0 -169.7  147.3  172.5  173.0  43.0 164.2   25 -0.5    0  0.0    0  0.0    0  0.0  8 30
   28 A  32    SER S   S S        S+    0    0 -111.3  -63.5  179.1   54.9  88.5  55.4    0  0.0   53 -3.1    0  0.0    0  0.0  7 27
   29 A  33    SER S               -    0    0  -73.7  133.7  176.4 -170.9  66.6 114.9    0  0.0    0  0.0    0  0.0    0  0.0  6 24
   30 A  34    LEU L               -    0    0 -125.8  124.5 -176.4 -127.2  23.0 175.8    0  0.0    0  0.0    0  0.0    0  0.0  9 32
   31 A  35    VAL V               -    0    0  -82.1  138.5  178.8 -150.3  10.4 124.9    0  0.0   33 -0.5    0  0.0    0  0.0  5 28
   32 A  36    PHE F               -    0    0 -105.2  124.1 -179.5 -153.5   4.9 156.3    0  0.0    0  0.0    0  0.0    0  0.0  7 24
   33 A  37    ASP D   S S        S-    0    0  -65.5  -33.3 -178.6   -3.7  75.2  34.3   31 -0.5    0  0.0    0  0.0    0  0.0  6 16
   34 A  38    SER S   S h >     TS-    0    0 -150.2  176.2  178.3  -97.5  75.4 154.7    0  0.0   38 -2.4    0  0.0    0  0.0  6 14
   35 A  39    VAL V   H H >     TS+    0    0  -66.6  -39.7  179.3   53.1 125.8  25.0    0  0.0   39 -2.6    0  0.0    0  0.0  7 14
   36 A  40    GLU E   H H >     TS+    0    0  -61.3  -42.5  179.5   49.3 109.1  22.9    0  0.0   40 -2.1    0  0.0    0  0.0  6 16
   37 A  41    ALA A   H H >     TS+    0    0  -62.1  -46.5  179.6   50.2 110.3  22.2    0  0.0   41 -2.5    0  0.0    0  0.0  9 19
   38 A  42    LYS K   H H X     TS+    0    0  -58.9  -45.5 -180.0   50.6 109.7  23.3   34 -2.4   42 -2.6    0  0.0    0  0.0 11 22
   39 A  43    LYS K   H H X     TS+    0    0  -60.9  -41.9  179.7   47.7 112.0  25.1   35 -2.6   43 -2.2    0  0.0    0  0.0  8 21
   40 A  44    HIS H   H H X     TS+    0    0  -66.1  -44.4  179.7   48.3 111.9  25.8   36 -2.1   44 -1.5    0  0.0    0  0.0  8 22
   41 A  45    ALA A   H H <     TS+    0    0  -62.4  -41.2  179.3   53.3 110.4  25.4   37 -2.5    0  0.0    0  0.0    0  0.0 11 29
   42 A  46    THR T   H H <   > TS+    0    0  -58.0  -49.8 -179.5   51.1 106.9  20.1   38 -2.6   45 -1.6    0  0.0    0  0.0  8 27
   43 A  47    ARG R   H H <   3 TS+    0    0  -59.1  -31.5 -178.9   37.3 119.0  35.6   39 -2.2    0  0.0    0  0.0    0  0.0  6 19
   44 A  48    ASN N   T h <   >>TS+    0    0 -112.6   29.8 -178.6  124.3  76.7  87.7   40 -1.5   47 -1.6    0  0.0   49 -1.3  9 25
   45 A  49    ARG R   T T     <5TS+    0    0  -60.6  -28.1  179.1   36.6  84.3  43.0   42 -1.6    0  0.0    0  0.0    0  0.0 12 35
   46 A  50    ALA A   T T     35TS+    0    0 -106.3    8.8 -178.5   71.1 109.5  73.2    0  0.0    0  0.0    0  0.0    0  0.0  6 42
   47 A  51    ASN N   T T     <5TS-    0    0 -122.4   48.3  177.3  -82.1 119.4 109.9   44 -1.6    0  0.0    0  0.0    0  0.0  5 35
   48 A  52    GLY G   T T      5TS+    0    0   65.9   22.0  177.4  129.5  85.1  46.8    0  0.0    0  0.0    0  0.0    0  0.0  7 41
   49 A  53    GLU E     t         > T -    0    0 -159.8  143.3 -179.3 -114.3  59.3 162.5    0  0.0   55 -2.0    0  0.0   56 -1.4 12 40
   53 A  57    GLY G   T T 4   3 TS+    0    0  -47.4  -37.3 -179.1   61.4 112.7  39.1   28 -3.1    0  0.0    0  0.0    0  0.0 10 39
   54 A  58    ARG R   T T 4   3 TS+    0    0  -64.0  -30.0  177.9   47.1 105.9  36.7    0  0.0    0  0.0    0  0.0    0  0.0  8 44
   55 A  59    ARG R   T T 4   < TS-    0    0  -78.2  -31.9  179.1 -106.7 123.1  38.7   52 -2.0    0  0.0    0  0.0    0  0.0 10 52
   56 A  60    GLY G     t <     T -    0    0  126.7  167.6  179.4 -112.1  22.6 120.7   52 -1.4    0  0.0    0  0.0    0  0.0 13 55
   57 A  61    THR T     h >   > T -    0    0 -122.9 -175.7  179.3  -74.7  53.6 125.8    0  0.0   61 -2.3    0  0.0   60 -0.6 13 49
   58 A  62    LEU L   H H >   3 TS+    0    0  -51.7  -35.5 -178.4   58.7 130.2  32.3    0  0.0   62 -2.2    0  0.0    0  0.0 12 54
   59 A  63    THR T   H H >   3 TS+    0    0  -63.5  -42.9  178.8   43.5 108.0  24.9    0  0.0   63 -1.4    0  0.0    0  0.0 15 54
   60 A  64    HIS H   H H >   < TS+    0    0  -68.0  -43.9 -179.1   55.4 111.0  24.6   57 -0.6   64 -2.7    0  0.0    0  0.0 11 65
   61 A  65    PHE F   H H X     TS+    0    0  -57.0  -42.4  179.3   53.1 105.1  26.2   57 -2.3   65 -2.3    0  0.0    0  0.0 10 62
   62 A  66    SER S   H H X     TS+    0    0  -60.0  -45.5  179.2   45.6 111.2  23.6   58 -2.2   66 -2.0    0  0.0    0  0.0 14 59
   63 A  67    LEU L   H H X     TS+    0    0  -65.2  -42.7 -179.6   52.7 110.9  24.9   59 -1.4   67 -2.5    0  0.0    0  0.0 13 67
   64 A  68    GLN Q   H H X     TS+    0    0  -60.4  -40.3  178.9   49.6 109.6  25.2   60 -2.7   68 -2.0    0  0.0    0  0.0 13 66
   65 A  69    GLN Q   H H X     TS+    0    0  -64.0  -44.4  179.6   49.4 110.9  25.1   61 -2.3   69 -1.9    0  0.0    0  0.0 12 52
   66 A  70    ALA A   H H X     TS+    0    0  -61.4  -44.9 -179.9   48.4 111.6  24.0   62 -2.0   70 -2.4    0  0.0    0  0.0 12 59
   67 A  71    MET M   H H X     TS+    0    0  -64.8  -40.4  178.6   52.8 109.3  29.4   63 -2.5   71 -2.4    0  0.0    0  0.0 13 67
   68 A  72    CYS C   H H X    >TS+    0    0  -65.0  -39.9  179.4   43.9 112.8  26.5   64 -2.0   73 -1.4    0  0.0   72 -1.2 13 52
   69 A  73    GLU E   H H <    5TS+    0    0  -74.4  -34.0  179.5   49.2 114.6  24.0   65 -1.9    0  0.0    0  0.0    0  0.0  9 45
   70 A  74    LEU L   H H <    5TS+    0    0  -69.8  -40.3 -179.6   28.7 124.6  27.0   66 -2.4    0  0.0    0  0.0    0  0.0 11 56
   71 A  75    GLU E   H H <    5TS-    0    0  -99.3   -2.8  178.9 -121.7 106.6  62.3   67 -2.4    0  0.0    0  0.0    0  0.0 12 58
   72 A  76    GLY G   T h <    5T +    0    0   66.0   46.4 -179.7  144.7  58.8  26.2   68 -1.2    0  0.0    0  0.0    0  0.0 10 45
   73 A  77    GLY G     t           TS-    0    0 -167.6  173.5  179.9  -87.4  76.2 164.8    0  0.0   85 -1.7    0  0.0    0  0.0 13 48
   82 A  86    GLY G   H H >     TS+    0    0  -62.8  -37.1  179.5   55.3 122.1  31.3    0  0.0   86 -2.2    0  0.0    0  0.0 16 61
   83 A  87    ALA A   H H >     TS+    0    0  -64.6  -38.6  178.2   49.0 108.1  29.5    0  0.0   87 -2.5    0  0.0    0  0.0 10 49
   84 A  88    ALA A   H H >     TS+    0    0  -67.6  -36.4  179.4   54.4 108.7  29.5    0  0.0   88 -2.5    0  0.0    0  0.0 10 48
   85 A  89    ALA A   H H X     TS+    0    0  -63.7  -42.6  178.6   43.8 112.0  22.1   81 -1.7   89 -1.8    0  0.0    0  0.0 17 57
   86 A  90    VAL V   H H X     TS+    0    0  -65.5  -57.7 -178.4   43.1 117.3  11.0   82 -2.2   90 -2.1    0  0.0    0  0.0 11 68
   87 A  91    ALA A   H H X     TS+    0    0  -57.0  -45.3 -178.3   43.8 118.8  23.9   83 -2.5   91 -2.5    0  0.0    0  0.0 10 63
   88 A  92    ASN N   H H X     TS+    0    0  -74.1  -30.3  178.4   54.3 109.7  34.8   84 -2.5   92 -1.9    0  0.0    0  0.0 10 61
   89 A  93    SER S   H H X     TS+    0    0  -68.5  -41.2  178.4   43.9 113.4  24.4   85 -1.8   93 -0.6    0  0.0    0  0.0 11 70
   90 A  94    ILE I   H H X   > TS+    0    0  -65.2  -51.1  179.9   50.9 113.5  14.6   86 -2.1   93 -1.5    0  0.0   94 -1.2  9 74
   91 A  95    LEU L   H H <   3 TS+    0    0  -55.9  -34.7 -179.4   66.7  99.6  35.0   87 -2.5    0  0.0    0  0.0    0  0.0  7 62
   92 A  96    ALA A   H H <   3 TS+    0    0  -60.5  -26.9 -177.9   32.4 111.0  39.8   88 -1.9    0  0.0    0  0.0    0  0.0 10 53
   93 A  97    PHE F   H H <   < TS+    0    0 -109.0  -12.5 -178.1   94.1  98.7  52.8   90 -1.5    0  0.0   89 -0.6    0  0.0 11 50
   94 A  98    ILE I     h <     T -    0    0  -87.2  161.6  179.6 -174.5  43.8 114.7   90 -1.2    0  0.0    0  0.0    0  0.0 10 46
   95 A  99    GLU E     t     > T -    0    0 -145.7  154.5  178.5  -74.1  45.4 162.7    0  0.0   98 -2.2    0  0.0    0  0.0  7 34
   96 A 100    GLN Q   T T     3 TS+    0    0  -49.5  132.0 -179.9   29.8 121.4 104.6    0  0.0    0  0.0    0  0.0    0  0.0  7 24
   97 A 101    GLY G   T T     3 TS+    0    0   96.3   -8.1  179.6  127.2  91.6  70.3  122 -2.8    0  0.0    0  0.0    0  0.0  8 27
   98 A 102    ASP D     e     < T -    0    0  -79.5  168.0  178.8 -136.2  50.3 107.8   95 -2.2  124 -2.0    0  0.0    0  0.0 12 38
   99 A 103    HIS H   E E  Abc    -  124  144 -126.2  138.4  179.4 -157.3   9.8 166.2  143 -2.2  145 -2.7    0  0.0  146 -1.2 13 47
  100 A 104    VAL V   E E  Abc    -  125  146 -117.6  130.5  179.9 -158.2   2.9 165.2  124 -2.4  126 -2.0    0  0.0  102 -0.6 13 61
  101 A 105    LEU L   E E  Abc    +  126  147 -111.0  118.9 -178.2  177.8  19.5 162.8  146 -2.6  148 -3.1    0  0.0    0  0.0 14 66
  102 A 106    MET M   E E  Abc    -  127  148 -127.0  142.7  178.0 -107.8  34.1 163.8  126 -2.3  128 -1.5  100 -0.6    0  0.0 12 69
  103 A 107    THR T   E E  Ab > T -  128    0  -61.5  141.1 -179.3 -132.2  26.7 110.3  148 -2.2  106 -1.3    0  0.0    0  0.0 12 66
  104 A 108    ASN N   T e     3 TS+    0    0  -75.6   -2.7  178.0   63.8 104.4  57.0  128 -2.7    0  0.0    0  0.0    0  0.0 13 54
  105 A 109    THR T   T T     3 TS+    0    0 -100.9   12.4  179.7  132.1  77.3  79.7    0  0.0  154 -2.1    0  0.0    0  0.0 14 56
  106 A 110    ALA A   S t     < TS-    0    0  -65.4  152.3  177.7  -80.4  74.8 107.8  103 -1.3    0  0.0    0  0.0    0  0.0 12 58
  107 A 111    TYR Y     h >   > T -    0    0  -50.1  129.2 -177.3 -118.9  47.0 105.3    0  0.0  111 -1.5    0  0.0  110 -1.3  8 57
  108 A 112    GLU E   H H >   3 TS+    0    0  -45.2  -51.7  179.4   54.6 110.9  30.7    0  0.0  112 -2.6    0  0.0    0  0.0  7 42
  109 A 113    PRO P   H H >   3 TS+    0    0  -54.9  -32.8  179.3   54.6 105.8  30.5    0  0.0  113 -2.1    0  0.0    0  0.0  7 41
  110 A 114    SER S   H H >   < TS+    0    0  -65.9  -40.2  179.2   47.2 109.8  24.9  107 -1.3  114 -1.6    0  0.0    0  0.0 11 54
  111 A 115    GLN Q   H H X     TS+    0    0  -65.6  -45.5 -179.8   50.9 111.0  22.4  107 -1.5  115 -2.6    0  0.0    0  0.0  9 55
  112 A 116    ASP D   H H X     TS+    0    0  -61.1  -38.1  178.5   57.4 104.4  30.4  108 -2.6  116 -2.6    0  0.0    0  0.0  9 38
  113 A 117    PHE F   H H X    >TS+    0    0  -58.7  -45.7  180.0   44.2 111.0  18.4  109 -2.1  117 -2.3    0  0.0  118 -1.6 10 42
  114 A 118    CYS C   H H <    >TS+    0    0  -65.0  -48.2 -178.3   41.6 118.1  19.0  110 -1.6  119 -1.3    0  0.0    0  0.0 10 53
  115 A 119    SER S   H H <    5TS+    0    0  -72.8  -27.8 -179.0   31.1 126.7  37.0  111 -2.6    0  0.0    0  0.0    0  0.0  9 37
  116 A 120    LYS K   H H <    5TS+    0    0 -102.0  -31.4 -179.8   24.1 130.9  41.4  112 -2.6    0  0.0    0  0.0    0  0.0  8 24
  117 A 121    ILE I   T h <   >5TS+    0    0 -100.2  -57.0 -178.6   43.8 122.6  30.3  113 -2.3  120 -0.7    0  0.0    0  0.0  9 33
  118 A 122    LEU L   G G     >XTS+    0    0  -58.8  -37.8 -178.9   65.0 105.3  28.8  113 -1.6  121 -1.8    0  0.0  123 -1.6 11 37
  119 A 123    SER S   G G     > T -    0    0  -68.7  133.3 -179.5 -129.4  32.9 122.5    0  0.0  132 -2.0    0  0.0    0  0.0  9 51
  130 A 134    PRO P   T T     3 TS+    0    0  -54.3  -32.8 -178.3   50.1 106.1  42.3    0  0.0    0  0.0    0  0.0    0  0.0 12 58
  131 A 135    LEU L   T T     3 TS+    0    0  -94.8   13.5 -179.5  106.6  76.3  75.4    0  0.0    0  0.0    0  0.0    0  0.0  9 51
  132 A 136    ILE I     g     X T +    0    0  -62.6  -33.4 -180.0  169.5  49.2  34.9  129 -2.0  135 -1.7    0  0.0    0  0.0  9 43
  133 A 137    GLY G   G G     > T +    0    0   58.7 -132.7 -179.0    1.4  67.2 107.1    0  0.0  136 -1.7    0  0.0    0  0.0 11 43
  134 A 138    ALA A   G G     > TS+    0    0  -61.6  -20.4 -179.9   75.1 120.6  46.4    0  0.0  137 -1.2    0  0.0    0  0.0  9 30
  135 A 139    ASP D   G G     X T +    0    0  -72.9   -1.1  178.7   97.8  64.1  61.3  132 -1.7  138 -2.0    0  0.0    0  0.0  7 31
  136 A 140    ILE I   G G >   X T +    0    0  -58.3  -20.6  179.2   81.7  62.9  41.6  133 -1.7  139 -2.5    0  0.0  140 -0.8 12 44
  137 A 141    VAL V   G G 4   < TS+    0    0  -54.8  -29.3  179.6   66.3  79.2  38.4  134 -1.2    0  0.0    0  0.0    0  0.0  9 43
  138 A 142    LYS K   G G 4   < TS+    0    0  -66.8  -19.2 -179.6   43.8 104.8  46.2  135 -2.0    0  0.0    0  0.0    0  0.0  5 35
  139 A 143    HIS H   T g 4   < TS+    0    0 -101.0  -13.3 -179.2  107.2  89.2  54.9  136 -2.5    0  0.0    0  0.0    0  0.0  7 44
  140 A 144    LEU L     t <     T -    0    0  -71.4  138.2 -179.8 -167.5  49.2 115.4  136 -0.8    0  0.0    0  0.0    0  0.0 11 43
  141 A 145    GLN Q     t     > T -    0    0 -120.4  163.9 -179.8 -108.9  36.2 143.8    0  0.0  144 -1.8    0  0.0    0  0.0  6 34
  142 A 146    PRO P   T T     3 TS+    0    0  -61.7  -29.6 -179.5   46.3 122.6  34.9    0  0.0    0  0.0    0  0.0    0  0.0  5 32
  143 A 147    ASN N   T e     3 TS+    0    0  -98.1   13.9  178.6  132.9  77.1  78.7    0  0.0   99 -2.2    0  0.0  145 -0.6  7 33
  144 A 148    THR T   E E  Ac < T +   99    0  -69.6  114.1 -178.2  166.9  22.1 125.0  141 -1.8    0  0.0    0  0.0    0  0.0 13 48
  145 A 149    LYS K   E E  A*     +    0    0  -98.7  -35.2 -177.5   31.7  58.8  40.8   99 -2.7  177 -3.1  143 -0.6    0  0.0 12 50
  146 A 150    ILE I   E E  Acd    -  100  177 -132.5  139.0  176.1 -165.1  53.8 169.0   99 -1.2  101 -2.6    0  0.0    0  0.0 14 65
  147 A 151    VAL V   E E  Acd    -  101  178 -121.3  117.9 -176.4 -158.6  20.2 176.1  177 -2.2  179 -2.5    0  0.0  149 -0.6 12 77
  148 A 152    PHE F   E E  Acd    -  102  179 -109.5  118.3 -179.4 -177.4  11.3 155.0  101 -3.1  103 -2.2    0  0.0    0  0.0 12 79
  149 A 153    LEU L   E E  A d    -    0  180 -110.0  159.0  176.5 -174.2  14.1 133.7  179 -3.0  181 -2.2  147 -0.6    0  0.0 12 77
  150 A 154    GLU E   E E  A d    -    0  181 -153.9  108.6 -178.2 -150.3  19.5 148.7    0  0.0    0  0.0    0  0.0    0  0.0 13 74
  151 A 155    SER S   S e        S+    0    0 -135.7  120.8   -0.3   26.2  84.8 169.5  181 -0.6    0  0.0    0  0.0    0  0.0 12 76
  152 A 156    PRO P   S S        S-    0    0  -69.8  157.7 -180.0 -123.2 106.2  52.0    0  0.0    0  0.0    0  0.0    0  0.0 10 69
  153 A 157    GLY G     t >     T -    0    0  -70.3  156.1  179.3  -86.9  31.8 106.1  158 -1.9  157 -1.3    0  0.0    0  0.0 13 65
  154 A 158    SER S   T T 4     TS-    0    0  -64.4  139.7  178.1  -16.6  99.0 112.2  105 -2.1  156 -3.0    0  0.0    0  0.0  9 67
  155 A 159    ILE I   T T 4     TS+    0    0   65.8  -58.9 -177.7   53.6 137.9 106.3    0  0.0    0  0.0    0  0.0    0  0.0  8 63
  156 A 160    THR T   T T 4     TS-    0    0  -83.7  -15.0  174.4 -143.8  92.7  54.6  154 -3.0    0  0.0    0  0.0    0  0.0  9 66
  157 A 161    MET M     t <     T +    0    0   65.9   20.1  179.2  169.2  30.5  53.5  153 -1.3    0  0.0    0  0.0    0  0.0 14 65
  158 A 162    GLU E               -    0    0  -65.7  138.0  179.5 -140.1  26.2 113.3    0  0.0  153 -1.9    0  0.0    0  0.0 15 62
  159 A 163    VAL V               -    0    0 -103.2  129.7  179.3 -137.6  12.2 150.1  290 -1.5    0  0.0    0  0.0    0  0.0 15 63
  160 A 164    HIS H               -    0    0  -77.1  163.8  173.8 -122.4  16.9 114.0    0  0.0  162 -1.1    0  0.0    0  0.0 14 63
  161 A 165    ASP D     h >     T -    0    0 -103.9   82.1 -177.9 -177.6  37.8 143.8    0  0.0  165 -2.1    0  0.0    0  0.0 10 50
  162 A 166    VAL V   H H >     TS+    0    0  -53.3  -48.3  179.8   54.5  72.6  26.0  160 -1.1  166 -3.0    0  0.0    0  0.0  8 58
  163 A 167    PRO P   H H >     TS+    0    0  -55.7  -43.5  180.0   46.6 110.9  22.6    0  0.0  167 -2.2    0  0.0    0  0.0  7 44
  164 A 168    ALA A   H H >     TS+    0    0  -64.3  -43.9 -179.7   47.5 114.4  22.5    0  0.0  168 -1.9    0  0.0    0  0.0  9 38
  165 A 169    ILE I   H H X     TS+    0    0  -63.8  -47.3 -179.1   48.9 111.8  20.4  161 -2.1  169 -2.5    0  0.0    0  0.0 11 51
  166 A 170    VAL V   H H X     TS+    0    0  -61.4  -44.1  179.4   50.0 110.7  22.0  162 -3.0  170 -2.7    0  0.0    0  0.0 12 54
  167 A 171    ALA A   H H X     TS+    0    0  -61.0  -42.8  179.8   49.4 111.5  24.3  163 -2.2  171 -1.7    0  0.0    0  0.0  9 36
  168 A 172    ALA A   H H X     TS+    0    0  -62.0  -47.5 -179.7   47.0 112.4  20.0  164 -1.9  172 -1.4    0  0.0    0  0.0 12 40
  169 A 173    VAL V   H H X   > TS+    0    0  -61.0  -49.7 -179.3   50.6 111.1  20.1  165 -2.5  173 -3.1    0  0.0  172 -0.5 13 48
  170 A 174    ARG R   H H <   3 TS+    0    0  -59.0  -35.1 -179.5   54.1 107.9  32.6  166 -2.7    0  0.0    0  0.0    0  0.0 10 38
  171 A 175    SER S   H H <   3 TS+    0    0  -70.0  -31.1 -178.8   28.0 121.8  32.9  167 -1.7    0  0.0    0  0.0    0  0.0  7 29
  172 A 176    VAL V   H H <   < TS+    0    0  -96.7  -50.0  179.9   15.4 137.5  27.8  168 -1.4    0  0.0  169 -0.5    0  0.0  8 29
  173 A 177    VAL V     h <   > T +    0    0 -129.6   79.9 -179.6  175.0  63.4 132.6  169 -3.1  176 -1.9    0  0.0    0  0.0 10 35
  174 A 178    PRO P   T T     3 TS+    0    0  -52.8  -35.3 -177.6   58.9  78.0  38.4    0  0.0    0  0.0    0  0.0    0  0.0  7 28
  175 A 179    ASP D   T T     3 TS+    0    0  -75.4  -11.6 -178.9  115.1  80.2  55.2    0  0.0    0  0.0    0  0.0    0  0.0  6 36
  176 A 180    ALA A     t     < T -    0    0  -61.9  150.3  178.2 -127.9  66.3 102.6  173 -1.9  178 -0.6    0  0.0    0  0.0 11 48
  177 A 181    ILE I   E E  Ad     -  146    0 -100.9  120.9  179.0 -155.7  20.6 154.1  145 -3.1  147 -2.2    0  0.0  179 -0.6 11 60
  178 A 182    ILE I   E E  Ad     +  147    0 -102.2  124.5 -178.7  177.5  17.3 155.3  176 -0.6  198 -1.8    0  0.0  199 -1.5 12 66
  179 A 183    MET M   E E  Ade    -  148  199 -123.2  156.8  178.1 -163.0  11.5 152.5  147 -2.5  149 -3.0  177 -0.6    0  0.0 13 74
  180 A 184    ILE I   E E  Ade    -  149  200 -143.7  138.2  176.7 -134.1  23.6 176.5  199 -1.9  201 -2.9    0  0.0  182 -1.1 13 74
  181 A 185    ASP D   E E  Ade    +  150  201  -90.2  101.0 -176.0  178.0  31.5 148.7  149 -2.2  151 -0.6    0  0.0    0  0.0 12 73
  182 A 186    ASN N     e      >T +    0    0  -98.7   29.9 -179.2  122.2  35.6  93.2  201 -2.6  187 -1.6  180 -1.1    0  0.0 14 72
  183 A 187    THR T   T T     >5T +    0    0  -60.6  -46.9 -178.6   56.8  67.1  25.0    0  0.0  186 -1.9    0  0.0    0  0.0 11 70
  184 A 188    TRP W   T T     35TS+    0    0  -56.3  -37.4 -179.7   45.2 110.4  30.7    0  0.0    0  0.0    0  0.0    0  0.0 10 71
  185 A 189    ALA A   T T >   >5TS-    0    0  -85.7   -0.9 -178.3 -130.4 104.8  64.7    0  0.0  189 -2.5    0  0.0  188 -1.5 11 68
  186 A 190    ALA A   T T 4   <5T -    0    0   54.2   26.7 -179.8  -78.0  58.3  38.7  183 -1.9    0  0.0    0  0.0    0  0.0 11 69
  187 A 191    GLY G   T T 4   3 T -    0    0  -85.9   79.1 -178.3 -177.9  18.7 126.8    0  0.0  194 -1.6    0  0.0    0  0.0 11 55
  192 A 196    ALA A   G G     >>TS+    0    0  -44.9  -43.8 -179.2   58.1  76.4  35.8  190 -1.7  195 -1.7    0  0.0  197 -1.5 13 61
  193 A 197    LEU L   G G     >5TS+    0    0  -62.9  -29.9  177.6   59.9  98.2  36.2    0  0.0  196 -1.2    0  0.0    0  0.0 14 51
  194 A 198    ASP D   G G     <5TS+    0    0  -73.8   -8.3 -179.9   58.2 100.8  56.2  191 -1.6    0  0.0    0  0.0    0  0.0  7 38
  195 A 199    PHE F   G G     <5TS-    0    0 -102.7    5.7  179.8  -96.4 125.0  70.1  192 -1.7    0  0.0    0  0.0    0  0.0  9 45
  196 A 200    GLY G   T g     <5TS+    0    0   92.8    6.8  178.7  145.5  75.4  55.0  193 -1.2    0  0.0    0  0.0    0  0.0  7 45
  197 A 201    ILE I     t           T -    0    0  -83.7  177.2 -178.7  -92.2  46.7 105.5  198 -1.9  225 -1.7    0  0.0    0  0.0 12 43
  222 A 227    ALA A   T T 4     TS+    0    0  -61.9  -34.9 -179.3   60.6 121.8  31.0    0  0.0    0  0.0    0  0.0    0  0.0  9 32
  223 A 228    ARG R   T T 4     TS+    0    0  -61.2  -39.8 -176.3   26.0 116.9  29.5    0  0.0    0  0.0    0  0.0    0  0.0  7 33
  224 A 229    CYS C   T h >     TS+    0    0 -104.4  -13.6 -177.4   92.5  94.0  53.7    0  0.0  228 -2.0    0  0.0    0  0.0 10 45
  225 A 230    TRP W   H H X     TS+    0    0  -49.8  -58.3 -178.0   48.8  84.8  24.3  221 -1.7  229 -2.9    0  0.0    0  0.0 12 46
  226 A 231    GLU E   H H >     TS+    0    0  -53.9  -46.5  179.8   45.4 112.9  29.6    0  0.0  230 -2.3    0  0.0    0  0.0  8 35
  227 A 232    GLN Q   H H >     TS+    0    0  -65.7  -43.1  179.6   46.0 116.2  23.4    0  0.0  231 -2.2    0  0.0    0  0.0  9 39
  228 A 233    LEU L   H H X     TS+    0    0  -64.3  -47.8  179.5   48.9 114.2  17.3  224 -2.0  232 -2.5    0  0.0    0  0.0 12 51
  229 A 234    ARG R   H H X     TS+    0    0  -57.0  -51.2 -177.6   40.6 116.3  19.9  225 -2.9  233 -1.6    0  0.0    0  0.0  9 56
  230 A 235    GLU E   H H X     TS+    0    0  -71.3  -36.0  179.3   46.9 117.0  28.8  226 -2.3  234 -1.6    0  0.0    0  0.0  8 39
  231 A 236    ASN N   H H X     TS+    0    0  -73.7  -38.5  177.5   49.6 112.0  25.9  227 -2.2  235 -1.0    0  0.0    0  0.0  9 36
  232 A 237    ALA A   H H <    >TS+    0    0  -65.9  -33.6  178.7   54.8 109.7  29.4  228 -2.5  237 -2.3    0  0.0    0  0.0 13 46
  233 A 238    TYR Y   H H <   >5TS+    0    0  -66.1  -38.9  178.5   53.6 103.1  28.5  229 -1.6  236 -1.6    0  0.0    0  0.0 10 40
  234 A 239    LEU L   H H <   35TS+    0    0  -67.3  -22.0  177.8   54.1 106.0  43.2  230 -1.6    0  0.0    0  0.0    0  0.0  7 29
  235 A 240    MET M   T h <   35TS-    0    0  -89.8    2.6  178.9 -117.7 118.5  69.5  231 -1.0    0  0.0    0  0.0    0  0.0  7 29
  236 A 241    GLY G   T T     <5T +    0    0   68.1   29.5 -178.8  168.1  52.7  39.8  233 -1.6    0  0.0    0  0.0    0  0.0  7 32
  237 A 242    GLN Q     t           T -    0    0  -69.3  159.0 -179.1 -113.9  30.9 108.5    0  0.0  244 -1.9    0  0.0    0  0.0  8 45
  241 A 246    ALA A   H H >     TS+    0    0  -60.1  -42.0  180.0   54.0 112.6  29.7    0  0.0  245 -2.2    0  0.0    0  0.0 13 48
  242 A 247    ASP D   H H >     TS+    0    0  -63.5  -40.1  178.8   48.5 108.5  26.3    0  0.0  246 -2.4    0  0.0    0  0.0  8 43
  243 A 248    THR T   H H >     TS+    0    0  -67.5  -37.7  177.8   53.6 109.4  26.3    0  0.0  247 -2.2    0  0.0    0  0.0 11 50
  244 A 249    ALA A   H H X     TS+    0    0  -60.6  -42.2  178.7   48.2 110.2  24.0  240 -1.9  248 -2.2    0  0.0    0  0.0 12 63
  245 A 250    TYR Y   H H X     TS+    0    0  -61.8  -48.3  179.8   50.6 110.5  22.4  241 -2.2  249 -2.4    0  0.0    0  0.0 13 56
  246 A 251    ILE I   H H X     TS+    0    0  -59.8  -35.6  179.8   50.7 110.0  31.5  242 -2.4  250 -1.8    0  0.0    0  0.0 10 53
  247 A 252    THR T   H H X     TS+    0    0  -70.9  -44.3  177.5   48.1 109.9  21.6  243 -2.2  251 -1.5    0  0.0    0  0.0 12 66
  248 A 253    SER S   H H X     TS+    0    0  -60.5  -40.7 -179.8   52.8 111.5  22.5  244 -2.2  252 -0.8    0  0.0    0  0.0 12 67
  249 A 254    ARG R   H H <   > TS+    0    0  -62.3  -39.1  179.1   55.5 104.2  29.0  245 -2.4  252 -0.7    0  0.0    0  0.0 10 53
  250 A 255    GLY G   H H <   > TS+    0    0  -64.5  -31.2  179.5   66.2  96.1  34.1  246 -1.8  253 -1.1    0  0.0    0  0.0 11 55
  251 A 256    LEU L   H H <   > TS+    0    0  -58.3  -34.6 -177.2   68.3  88.9  32.2  247 -1.5  254 -1.1    0  0.0    0  0.0 12 60
  252 A 257    ARG R   T h <   < TS+    0    0  -59.1  -31.4  178.8   31.6 109.7  41.9  248 -0.8    0  0.0  249 -0.7    0  0.0  9 43
  253 A 258    THR T   T h >   < TS+    0    0 -108.4    6.6 -178.7  104.5  89.0  70.8  250 -1.1  257 -2.3    0  0.0    0  0.0 10 40
  254 A 259    LEU L   H H >   < TS+    0    0  -55.2  -40.4 -179.4   51.5  79.7  29.6  251 -1.1  258 -2.7    0  0.0    0  0.0 12 53
  255 A 260    GLY G   H H >     TS+    0    0  -64.6  -51.6 -179.7   41.8 112.3  19.7    0  0.0  259 -1.8    0  0.0    0  0.0 11 44
  256 A 261    VAL V   H H >     TS+    0    0  -67.1  -31.2  179.0   50.5 117.3  33.9    0  0.0  260 -1.3    0  0.0    0  0.0  7 40
  257 A 262    ARG R   H H X     TS+    0    0  -70.6  -54.2  179.5   47.6 109.2  14.5  253 -2.3  261 -2.6    0  0.0    0  0.0  9 49
  258 A 263    LEU L   H H X     TS+    0    0  -55.2  -38.0  178.8   56.7 108.9  31.3  254 -2.7  262 -2.5    0  0.0    0  0.0 11 53
  259 A 264    ARG R   H H X     TS+    0    0  -62.0  -42.3  178.2   42.7 110.4  25.3  255 -1.8  263 -2.4    0  0.0    0  0.0  9 44
  260 A 265    GLN Q   H H X     TS+    0    0  -70.1  -42.9  178.9   51.1 114.1  25.4  256 -1.3  264 -2.9    0  0.0    0  0.0  9 39
  261 A 266    HIS H   H H X     TS+    0    0  -59.0  -42.0 -179.9   48.6 112.1  25.8  257 -2.6  265 -2.2    0  0.0    0  0.0 14 51
  262 A 267    HIS H   H H X     TS+    0    0  -63.2  -53.1 -178.2   43.6 114.7  15.4  258 -2.5  266 -1.8    0  0.0    0  0.0 12 49
  263 A 268    GLU E   H H X     TS+    0    0  -62.1  -46.5 -179.4   43.4 117.9  22.2  259 -2.4  267 -1.8    0  0.0    0  0.0  8 39
  264 A 269    SER S   H H X     TS+    0    0  -68.0  -43.1 -179.1   50.3 112.9  24.5  260 -2.9  268 -2.3    0  0.0    0  0.0 11 45
  265 A 270    SER S   H H X     TS+    0    0  -64.9  -37.0  179.0   50.7 110.2  30.4  261 -2.2  269 -2.7    0  0.0    0  0.0 13 56
  266 A 271    LEU L   H H X     TS+    0    0  -66.5  -44.2  179.3   50.3 109.6  20.6  262 -1.8  270 -2.7    0  0.0    0  0.0 11 46
  267 A 272    LYS K   H H X     TS+    0    0  -59.9  -44.3  178.3   45.5 113.7  23.0  263 -1.8  271 -1.7    0  0.0    0  0.0  9 45
  268 A 273    VAL V   H H X     TS+    0    0  -62.9  -45.6  180.0   52.6 111.9  20.7  264 -2.3  272 -2.9    0  0.0    0  0.0 10 56
  269 A 274    ALA A   H H X     TS+    0    0  -56.7  -47.4  179.8   48.0 109.3  25.5  265 -2.7  273 -2.5    0  0.0    0  0.0 11 56
  270 A 275    GLU E   H H X     TS+    0    0  -64.3  -34.8  178.5   50.4 112.1  31.8  266 -2.7  274 -0.6    0  0.0    0  0.0  9 40
  271 A 276    TRP W   H H <   > TS+    0    0  -67.7  -48.5  179.5   46.9 111.9  17.9  267 -1.7  274 -1.2    0  0.0    0  0.0  8 41
  272 A 277    LEU L   H H <   > TS+    0    0  -59.4  -40.6 -179.0   64.9 102.4  28.2  268 -2.9  275 -2.1    0  0.0    0  0.0 10 48
  273 A 278    ALA A   H H <   3 TS+    0    0  -56.6  -24.2 -179.1   42.3 107.4  43.0  269 -2.5    0  0.0    0  0.0    0  0.0  9 37
  274 A 279    GLU E   T h <   < TS+    0    0 -106.8    7.9 -178.8  113.8  88.5  72.0  271 -1.2    0  0.0  270 -0.6    0  0.0  7 28
  275 A 280    HIS H     t     X T -    0    0  -85.1  137.2 -179.9 -133.0  67.1 130.7  272 -2.1  278 -1.6    0  0.0    0  0.0  7 30
  276 A 281    PRO P   T T     3 TS+    0    0  -55.6  -33.6 -178.6   51.6 103.6  39.5    0  0.0    0  0.0    0  0.0    0  0.0  4 27
  277 A 282    GLN Q   T e     3 TS+    0    0  -86.0   -1.7 -177.4   91.8  91.9  59.9    0  0.0  311 -2.3    0  0.0    0  0.0  8 35
  278 A 283    VAL V   E E  BG < T -  310    0 -101.9  128.5  179.0 -176.9  46.5 144.5  275 -1.6    0  0.0    0  0.0    0  0.0 13 41
  279 A 284    ALA A   E E  B*    S-    0    0  -86.4  -40.8 -177.7   -5.9  70.1  29.7  309 -2.6    0  0.0    0  0.0    0  0.0  9 35
  280 A 285    ARG R   E E  BG     -  309    0 -158.0  147.0  177.9 -142.2  54.2 173.4  309 -1.7  309 -3.3    0  0.0  282 -0.5  8 46
  281 A 286    VAL V   E E  BG     -  308    0 -116.6  122.1  179.7 -158.2   9.3 164.7    0  0.0  283 -1.0    0  0.0    0  0.0 13 52
  282 A 287    ASN N   E E  BG     +  307    0  -99.4   84.2  178.0  135.9  39.2 138.3  307 -3.0  307 -1.9  280 -0.5    0  0.0 14 61
  283 A 288    HIS H     t     > T -    0    0 -131.6  118.4 -179.8 -142.9  50.2 166.1  281 -1.0  286 -2.7    0  0.0    0  0.0 12 60
  284 A 289    PRO P   T T     3 TS+    0    0  -47.3  -35.3 -179.2   53.9 102.3  40.3    0  0.0    0  0.0    0  0.0    0  0.0 16 59
  285 A 290    ALA A   T T     3 TS+    0    0  -83.7    0.5 -179.7   88.6  92.7  65.2    0  0.0    0  0.0    0  0.0    0  0.0 10 55
  286 A 291    LEU L   S t     X TS-    0    0 -106.3  125.5  179.8 -114.4  84.9 150.7  283 -2.7  289 -1.7    0  0.0    0  0.0 12 44
  287 A 292    PRO P   T T     3 TS+    0    0  -52.5  143.9 -179.3   33.9 101.7 102.7    0  0.0    0  0.0    0  0.0    0  0.0  7 31
  288 A 293    GLY G   T T     3 TS+    0    0   89.9   -8.7  178.7  126.4  87.8  68.8    0  0.0    0  0.0    0  0.0    0  0.0  5 32
  289 A 294    SER S   S t     X TS-    0    0  -83.0  146.7 -179.4  -87.3  76.9 126.5  286 -1.7  292 -2.5    0  0.0    0  0.0 12 43
  290 A 295    LYS K   T T     3 TS+    0    0  -56.6  115.2  179.8    1.3 113.0 111.0    0  0.0  159 -1.5    0  0.0    0  0.0  9 43
  291 A 296    GLY G   T h >   > TS+    0    0   83.4   10.8 -179.8  139.5  84.4  55.5    0  0.0  295 -1.9    0  0.0  294 -1.2 12 42
  292 A 297    HIS H   H H >   < T +    0    0  -54.4  -35.0 -179.7   61.0  68.6  31.6  289 -2.5  296 -2.8    0  0.0    0  0.0 13 39
  293 A 298    GLU E   H H >   3 TS+    0    0  -60.7  -36.5 -179.3   45.8 106.3  32.0    0  0.0  297 -1.5    0  0.0    0  0.0  7 33
  294 A 299    PHE F   H H >   < TS+    0    0  -76.8  -37.4  178.0   51.4 110.7  28.3  291 -1.2  298 -3.5    0  0.0    0  0.0 11 44
  295 A 300    TRP W   H H X     TS+    0    0  -61.8  -44.7 -179.6   51.3 110.4  20.6  291 -1.9  299 -2.1    0  0.0    0  0.0 11 48
  296 A 301    LYS K   H H <     TS+    0    0  -59.1  -40.6 -178.4   37.2 118.5  27.2  292 -2.8    0  0.0    0  0.0    0  0.0  9 34
  297 A 302    ARG R   H H <     TS+    0    0  -81.5  -42.7 -175.3   28.6 127.5  25.1  293 -1.5    0  0.0    0  0.0    0  0.0  6 31
  298 A 303    ASP D   H H <     TS+    0    0  -97.1  -24.7 -179.0   69.9 104.9  46.1  294 -3.5    0  0.0    0  0.0    0  0.0  7 39
  299 A 304    PHE F     h <     T -    0    0  -95.5  160.0  178.7 -153.0  57.5 128.0  295 -2.1    0  0.0    0  0.0    0  0.0 11 44
  300 A 305    THR T   S S        S-    0    0 -113.2   14.4 -179.9  -21.7  75.0  80.4  189 -2.1    0  0.0    0  0.0    0  0.0  7 39
  301 A 306    GLY G               -    0    0  168.1 -173.3 -178.5  -99.9  63.8 169.2    0  0.0    0  0.0    0  0.0    0  0.0  7 48
  302 A 307    SER S               -    0    0 -137.8  153.6  176.3 -146.6  16.5 155.2    0  0.0    0  0.0    0  0.0    0  0.0 12 61
  303 A 308    SER S               -    0    0 -101.1 -159.5 -177.4  -94.0  39.3 105.9    0  0.0    0  0.0    0  0.0    0  0.0 11 66
  304 A 309    GLY G   S e        S+    0    0 -109.6   16.7 -179.8  102.2  83.6  74.4    0  0.0  370 -2.4    0  0.0    0  0.0 13 67
  305 A 310    LEU L   E E  B H    +    0  369 -102.6  131.6  178.3  128.5  40.3 147.4    0  0.0    0  0.0    0  0.0    0  0.0 13 68
  306 A 311    PHE F   E E  B H    -    0  368 -162.5  176.9  179.7 -133.7  37.1 160.1  368 -2.2  368 -2.8    0  0.0    0  0.0 14 69
  307 A 312    SER S   E E  BGH    -  282  367 -140.8  164.4  178.2 -160.2   7.5 158.2  282 -1.9  282 -3.0    0  0.0    0  0.0 14 61
  308 A 313    PHE F   E E  BGH    -  281  366 -143.5  154.3 -179.4 -130.4  16.5 167.6  366 -2.3  366 -3.0    0  0.0    0  0.0 13 64
  309 A 314    VAL V   E E  BGH    -  280  365 -111.4  129.4  178.1 -138.4  18.7 159.4  280 -3.3  279 -2.6    0  0.0  280 -1.7 14 54
  310 A 315    LEU L   E E  BG     -  278    0  -77.6  158.7  178.8 -120.5  20.8 115.4  364 -2.6    0  0.0    0  0.0    0  0.0 13 50
  311 A 316    LYS K   S e        S+    0    0  -70.8  -29.2  179.4   43.6  95.9  32.0  277 -2.3    0  0.0    0  0.0    0  0.0 10 36
  312 A 317    LYS K   S S        S-    0    0 -117.8  158.3  177.9 -119.3  83.3 140.9    0  0.0  364 -1.6    0  0.0  314 -0.7  8 35
  313 A 318    LYS K               -    0    0  -94.5  115.6 -179.3 -135.6  36.1 149.6    0  0.0    0  0.0    0  0.0    0  0.0  9 36
  314 A 319    LEU L               -    0    0  -71.5  144.4  177.2 -135.0  11.3 114.8  312 -0.7    0  0.0    0  0.0    0  0.0  9 38
  315 A 320    ASN N     h >     T -    0    0  -89.7  173.3 -178.9  -89.4  37.0 117.5    0  0.0  319 -2.8    0  0.0    0  0.0  6 28
  316 A 321    ASN N   H H >     TS+    0    0  -51.6  -43.3 -179.8   47.7 126.6  34.1    0  0.0  320 -2.1    0  0.0    0  0.0  6 23
  317 A 322    GLU E   H H >     TS+    0    0  -66.8  -43.3  179.9   46.8 114.4  23.9    0  0.0  321 -2.4    0  0.0    0  0.0  7 20
  318 A 323    GLU E   H H >     TS+    0    0  -65.0  -39.3  179.5   54.2 110.0  27.7    0  0.0  322 -2.5    0  0.0    0  0.0  9 31
  319 A 324    LEU L   H H X     TS+    0    0  -59.8  -49.5 -179.6   45.0 110.8  21.0  315 -2.8  323 -2.8    0  0.0    0  0.0  9 36
  320 A 325    ALA A   H H X     TS+    0    0  -61.1  -47.2 -179.2   49.9 113.4  20.1  316 -2.1  324 -2.8    0  0.0    0  0.0  8 29
  321 A 326    ASN N   H H <     TS+    0    0  -61.0  -37.5  179.1   43.0 116.2  29.3  317 -2.4    0  0.0    0  0.0    0  0.0 10 31
  322 A 327    TYR Y   H H <   > TS+    0    0  -71.0  -61.8 -177.3   33.1 123.5   6.8  318 -2.5  325 -0.7    0  0.0    0  0.0 12 42
  323 A 328    LEU L   H H <   > TS+    0    0  -65.2  -44.2 -176.8   58.9 111.4  29.9  319 -2.8  326 -1.2    0  0.0    0  0.0 10 42
  324 A 329    ASP D   T h <   3 TS+    0    0  -65.3  -14.2 -176.1   54.7 102.8  48.8  320 -2.8    0  0.0    0  0.0    0  0.0  6 31
  325 A 330    ASN N   T T     < TS+    0    0 -111.0   19.1  178.1  123.7  70.2  78.3  322 -0.7    0  0.0    0  0.0    0  0.0  7 29
  326 A 331    PHE F     t     < T -    0    0  -75.9  147.0 -179.4 -159.8  42.8 119.5  323 -1.2    0  0.0    0  0.0    0  0.0 11 37
  327 A 332    SER S   S S        S+    0    0  -97.2  -32.0 -178.3   17.7  85.8  41.7    0  0.0    0  0.0    0  0.0    0  0.0  6 32
  328 A 333    LEU L   S S        S+    0    0 -111.0  -36.5  179.6   77.7 107.9  43.4    0  0.0    0  0.0    0  0.0    0  0.0  7 35
  329 A 334    PHE F               -    0    0  -80.7  136.6  179.2 -161.5  63.2 130.7    0  0.0    0  0.0    0  0.0    0  0.0 11 50
  330 A 335    SER S   B B   a     -  341    0 -117.2  151.0  177.2 -121.5  18.6 148.4  340 -1.6  342 -2.3    0  0.0  332 -0.5  9 38
  331 A 336    MET M               +    0    0  -92.8  124.8  179.0  124.2  55.9 145.6    0  0.0    0  0.0    0  0.0    0  0.0  8 36
  332 A 337    ALA A               -    0    0 -170.5  157.1  177.2 -107.4  56.4 162.2  330 -0.5    0  0.0    0  0.0    0  0.0  7 30
  333 A 338    TYR Y   S S        S+    0    0  -86.1  171.1 -177.9   41.5  82.0 117.1    0  0.0    0  0.0    0  0.0    0  0.0  5 39
  334 A 339    SER S               -    0    0   76.9  175.4 -177.5 -165.9  63.4  96.6    0  0.0    0  0.0    0  0.0    0  0.0  5 50
  335 A 340    TRP W               +    0    0 -175.4 -173.8  179.4   97.9  49.7 160.1    0  0.0    0  0.0    0  0.0    0  0.0  9 53
  336 A 341    GLY G               +    0    0   86.4   11.1  179.0  118.4  67.8  53.4    0  0.0    0  0.0    0  0.0    0  0.0 14 66
  337 A 342    GLY G   S S        S-    0    0  -96.4 -169.0 -178.7  -94.3  81.3 101.5    0  0.0    0  0.0    0  0.0    0  0.0 11 56
  338 A 343    TYR Y   S S        S+    0    0  -86.2  -11.0 -178.9   71.5  99.0  53.2    0  0.0  372 -3.3    0  0.0    0  0.0  9 49
  339 A 344    GLU E   S S        S-    0    0 -110.5  157.6 -178.5 -107.0  84.1 138.0    0  0.0    0  0.0    0  0.0    0  0.0 10 45
  340 A 345    SER S               -    0    0  -82.7  141.0 -178.0 -168.8  34.7 124.3    0  0.0  330 -1.6    0  0.0    0  0.0 14 55
  341 A 346    LEU L   E E  BIa    -  369  330 -131.3  154.0 -180.0 -162.2   8.8 156.8  369 -1.8  369 -2.2    0  0.0    0  0.0 13 55
  342 A 347    ILE I   E E  BI     +  368    0 -139.6  137.5  178.9  170.2  10.8 177.2  330 -2.3    0  0.0    0  0.0    0  0.0 13 53
  343 A 348    LEU L   E E  BI     -  367    0 -143.8  142.1  178.8 -146.2  18.7 171.1  367 -1.8  367 -3.2    0  0.0    0  0.0 10 46
  344 A 349    ALA A   E E  BI     -  366    0 -112.5  147.1  179.6 -169.9  10.5 149.9    0  0.0    0  0.0    0  0.0    0  0.0  8 57
  345 A 350    ASN N   E E  BI     -  365    0 -137.1  126.9  178.3 -136.5  17.3 173.8  365 -3.0  365 -2.8    0  0.0    0  0.0 10 48
  346 A 351    GLN Q     h >   > T -    0    0  -80.3  148.8 -179.8 -113.9  28.4 125.6    0  0.0  350 -1.3    0  0.0  349 -1.2 10 39
  347 A 352    PRO P   H H >   3 TS+    0    0  -49.0  -39.3 -179.3   56.8 116.3  33.5    0  0.0  351 -2.2    0  0.0    0  0.0 12 38
  348 A 353    GLU E   H H >   3 TS+    0    0  -63.7  -35.6 -179.2   55.6 102.6  30.9    0  0.0  352 -1.4    0  0.0    0  0.0  6 29
  349 A 354    HIS H   H H >   < TS+    0    0  -64.6  -42.2 -179.9   45.4 109.3  26.5  346 -1.2  353 -0.6    0  0.0    0  0.0  8 34
  350 A 355    ILE I   H H <   > TS+    0    0  -67.8  -45.7 -179.9   57.8 107.1  20.7  346 -1.3  353 -1.7    0  0.0    0  0.0 10 41
  351 A 356    ALA A   H H <   > TS+    0    0  -53.3  -36.1  179.3   58.9 100.7  32.4  347 -2.2  354 -1.3    0  0.0    0  0.0 11 31
  352 A 357    ALA A   H H <   3 TS+    0    0  -65.4  -27.3 -179.4   44.2 109.1  38.0  348 -1.4    0  0.0    0  0.0    0  0.0  7 30
  353 A 358    ILE I   T h <   < TS+    0    0 -110.2   31.7  177.8   84.1  92.5  93.3  350 -1.7    0  0.0  349 -0.6    0  0.0  9 40
  354 A 359    ARG R   S t     X TS-    0    0 -130.0   73.0 -179.5 -159.5  70.8 131.3  351 -1.3  357 -1.5    0  0.0    0  0.0 11 44
  355 A 360    PRO P   T T     3 TS-    0    0  -57.5  137.0  179.3   -0.5  73.3 105.5    0  0.0    0  0.0    0  0.0    0  0.0  8 40
  356 A 361    GLN Q   T T     3 TS+    0    0   51.6   32.7  179.4   93.4 120.3  36.9    0  0.0    0  0.0    0  0.0    0  0.0  7 29
  357 A 362    GLY G     t     < T -    0    0 -141.3  177.2  179.8 -127.5  66.9 147.9  354 -1.5    0  0.0    0  0.0    0  0.0  9 33
  358 A 363    GLU E               -    0    0 -135.9  142.2 -180.0 -123.9  17.6 171.6    0  0.0    0  0.0    0  0.0    0  0.0  6 26
  359 A 364    ILE I               -    0    0  -81.2  148.2 -179.4 -161.8  13.4 122.4    0  0.0    0  0.0    0  0.0    0  0.0  8 36
  360 A 365    ASP D               +    0    0 -124.3   36.2  178.7   65.1  61.7  93.0    0  0.0    0  0.0    0  0.0    0  0.0  4 41
  361 A 366    PHE F               -    0    0 -150.1  156.8 -179.1 -164.9  48.9 167.2    0  0.0    0  0.0    0  0.0    0  0.0  6 38
  362 A 367    SER S               +    0    0 -121.9  -12.2  179.6   86.3  62.4  60.7    0  0.0    0  0.0    0  0.0    0  0.0  8 31
  363 A 368    GLY G   S S        S-    0    0  -87.6  167.7  178.7  -81.1  91.3 114.1    0  0.0    0  0.0    0  0.0    0  0.0 13 38
  364 A 369    THR T     e         -    0    0  -66.1  138.5  179.0 -135.2  45.2 115.9  312 -1.6  310 -2.6    0  0.0    0  0.0 14 46
  365 A 370    LEU L   E E  BHI    -  309  345 -100.9  134.6  179.5 -161.2  15.1 149.5  345 -2.8  345 -3.0    0  0.0    0  0.0 12 52
  366 A 371    ILE I   E E  BHI    -  308  344 -116.4  123.8  177.9 -157.4   2.5 165.3  308 -3.0  308 -2.3    0  0.0    0  0.0 12 66
  367 A 372    ARG R   E E  BHI    -  307  343 -102.2  130.2 -179.3 -168.8  14.3 155.2  343 -3.2  343 -1.8    0  0.0    0  0.0 13 59
  368 A 373    LEU L   E E  BHI    -  306  342 -120.7  142.7  171.6 -160.9  19.0 155.1  306 -2.8  306 -2.2    0  0.0  370 -0.5 11 69
  369 A 374    HIS H   E E  BHI    -  305  341 -116.4  120.7  179.6 -147.1  20.0 175.5  341 -2.2  341 -1.8    0  0.0  371 -0.7 13 67
  370 A 375    ILE I     e         -    0    0  -92.5  112.3 -179.4 -172.1  22.0 145.9  304 -2.4    0  0.0  368 -0.5    0  0.0 12 64
  371 A 376    GLY G               -    0    0  -80.4 -149.0 -177.9  -75.7  41.2  75.7  369 -0.7    0  0.0    0  0.0    0  0.0 12 56
  372 A 377    LEU L   S S        S+    0    0 -101.6    9.6  179.1  117.8  85.7  75.4  338 -3.3    0  0.0    0  0.0    0  0.0 11 44
  373 A 378    GLU E   S S        S-    0    0  -69.6  170.0  178.5  -72.4  85.3 100.2    0  0.0    0  0.0    0  0.0    0  0.0  9 38
  374 A 379    ASP D     h >   > T -    0    0  -65.9  125.3 -178.7 -137.9  43.5 121.1    0  0.0  378 -1.6    0  0.0  377 -0.7  6 32
  375 A 380    VAL V   H H >   3 TS+    0    0  -56.2  -34.8  179.4   56.8 100.7  32.5    0  0.0  379 -2.4    0  0.0    0  0.0 10 38
  376 A 381    ASP D   H H >   3 TS+    0    0  -67.1  -34.0  178.2   51.3 105.1  29.1    0  0.0  380 -2.2    0  0.0    0  0.0  6 30
  377 A 382    ASP D   H H >   < TS+    0    0  -68.2  -37.0  179.9   50.1 110.4  29.3  374 -0.7  381 -1.7    0  0.0    0  0.0  8 28
  378 A 383    LEU L   H H X     TS+    0    0  -67.2  -43.6  179.1   49.2 109.8  22.3  374 -1.6  382 -2.1    0  0.0    0  0.0 11 42
  379 A 384    ILE I   H H X     TS+    0    0  -62.2  -41.6  178.7   53.4 109.1  23.4  375 -2.4  383 -3.1    0  0.0    0  0.0  9 40
  380 A 385    ALA A   H H X     TS+    0    0  -59.5  -40.3  179.9   50.5 108.5  25.9  376 -2.2  384 -2.2    0  0.0    0  0.0  8 29
  381 A 386    ASP D   H H X     TS+    0    0  -65.1  -42.2  179.7   45.5 112.7  26.1  377 -1.7  385 -1.6    0  0.0    0  0.0 12 39
  382 A 387    LEU L   H H X     TS+    0    0  -67.1  -44.5  179.7   53.9 110.3  21.1  378 -2.1  386 -2.2    0  0.0    0  0.0  9 58
  383 A 388    ASP D   H H X     TS+    0    0  -55.7  -45.4  179.4   49.5 109.0  23.1  379 -3.1  387 -1.8    0  0.0    0  0.0  8 39
  384 A 389    ALA A   H H X     TS+    0    0  -63.0  -37.3  179.9   55.7 107.4  29.7  380 -2.2  388 -1.1    0  0.0    0  0.0  8 30
  385 A 390    GLY G   H H X   > TS+    0    0  -63.2  -44.0  178.8   51.2 104.7  24.4  381 -1.6  389 -0.7    0  0.0  388 -0.5 12 43
  386 A 391    PHE F   H H <   > TS+    0    0  -59.2  -42.3 -179.8   56.6 105.3  24.4  382 -2.2  389 -1.4    0  0.0    0  0.0 10 46
  387 A 392    ALA A   H H <   > TS+    0    0  -59.7  -27.6 -179.6   60.6 100.3  35.7  383 -1.8  390 -0.8    0  0.0    0  0.0  7 30
  388 A 393    ARG R   H H <   < TS+    0    0  -71.9  -25.6 -179.9   37.5 111.9  42.1  384 -1.1    0  0.0  385 -0.5    0  0.0  8 28
  389 A 394    ILE I   T h <   < T      0    0 -112.1   14.7  178.9  999.9 999.9  78.9  386 -1.4    0  0.0  385 -0.7    0  0.0  8 35
  390 A 395    VAL V     t     < T      0    0  -83.3  999.9  999.9  999.9 999.9  23.3  387 -0.8    0  0.0    0  0.0    0  0.0  4 25
 
 1cl1A.pdb                                                   
 1CL1  METHIONINE BIOSYNTHESIS  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand   HHHHHHHTT  HHHHTTSSS      S    SSHHHHHHHHHTTTTT    TTT  HHHHHHHHHHHHHHT SEEEEESSHHHHHHHHHHHH  TT EE  Kabs/Sand
 chirality   +++++++-++-+++--+-+-----+++------++++++++++++-+-+--++---+++++++++++++-+---------++++++++++++--++---  chirality
     bends    SSSSSSSS  SSSSSSSSS      S    SSSSSSSSSSSSSSSS    SSS  SSSSSSSSSSSSSS  S     SSSSSSSSSSSSSS  SS     bends    
     turns  TTTTTTTTTTTTTTTTTTT              TTTTTTTTTTTTTTTT  TTTTTTTTTTTTTTTTTTTTTT       TTTTTTTTTTTTTTTTTT    turns    
   5-turns                                             >5555<                  >5555<                             5-turns  
   3-turns         >33<>33<>33<                      >3><3<    >33< >33<                             >33< >33<    3-turns  
  bridge-2                                                                                                    cc  bridge-2 
  bridge-1                                                                            AAAAA                   bb  bridge-1 
    sheets                                                                            AAAAA                   AA  sheets   
   4-turns  >>>>X<<<<  >>44<<                >>>>XXX<<<<       >444<>>>>XXXXXXXX<<<<        >>>>XXXXXX<<<<        4-turns  
   summary  hHHHHHHHhTthHHHHhTtSS      S    ShHHHHHHHHHhTTTTt  tTTTthHHHHHHHHHHHHHHhtSEEEEEShHHHHHHHHHHHHhtTTeEE  summary  
  sequence  KLDTQLVNAGRSKKYTLGAVNSVIQRASSLVFDSVEAKKHATRNRANGELFYGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHV  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  EEETTS HHHHHHHHHTGGGGT EEEEE TT GGGGGGT  TTEEEEEEESS TTT     HHHHHHHHHHH TT EEEEE TTTTTTSS GGGGT SEE  Kabs/Sand
 chirality  +--++--+++++++++++++-+--+----++++++++++--++++-----+---+-+----++++++++++++++--+--++++--+++--+++-+-+--  chirality
     bends     SSS SSSSSSSSSSSSSSS       SS  S  SSS  SS       SS SSS     SSSSSSSSSSS SS        SS SSSS SSSSS S    bends    
     turns    TTTTTTTTTTTTTTTTTTTTT     TTTTTTTTTTTTTTTT        TTTTT   TTTTTTTTTTTTTTTT     TTTTTTTT TTTTTTT     turns    
   5-turns              >>555X<555<                                                          >5555<    >5555<     5-turns  
   3-turns    >33<>33<      >>><<<      >33X>>XX<<< >33<                        >33<>33<      >3><3<  >>><<<      3-turns  
  bridge-2  cc                                           ddddd                            eee                 FF  bridge-2 
  bridge-1  bbb                    bbbbb               c*ccc                            ddddd                 ee  bridge-1 
    sheets  AAA                    AAAAA               AAAAAAA                          AAAAA                 AA  sheets   
   4-turns        >>>>XXX<<<<                  >444<            >444<   >>>>XXXXX<<<<           >444<             4-turns  
   summary  EEEeTthHHHHHHHHHhGGGGgtEEEEEtTTgGGGGGGgttTeEEEEEEEeStTTTt   hHHHHHHHHHHHhTTtEEEEEeTTTTTTtSgGGGGgteEE  summary  
  sequence  LMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVS  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                                        author   
 Kabs/Sand  EEE    S SSS   EEEEE TTTHHHHHHHHHHTT    HHHHHHHHHHHTTHHHHHHHHHHHHHHHHHHHHT TTEEEEE TTSTTSTTHHHHHHH S  Kabs/Sand
 chirality  ---   +-+-++-+-------+++++++++++++-++---++++++++++++++++++++++++++++++++++-++----+-++-++-+++++++++--  chirality
     bends         S SSS         SSSSSSSSSSSSSS     SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SS S    SSSSSSSS SSSSSS S  bends    
     turns                      TTTTTTTTTTTTTTTTT  TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT    TTTTTTTTTTTTTTTTT   turns    
   5-turns                                 >5555<                                                                 5-turns  
   3-turns                                  >33<            >>><<<                >>333X33X3><3<        3-turns  
  bridge-2  FFF            FFFFF                                                                                  bridge-2 
  bridge-1  e              AAAAA                                                         G*GGG                    bridge-1 
    sheets  AAA            AAAAA                                                         BBBBB                    sheets   
   4-turns                      >44>X>>XXXX<<<<    >>>>XXXXX<<<<>>>>XXXXXXXXXXXXXX<<<<                >>>>X<<<<   4-turns  
   summary  EEEe   S SSS  eEEEEEeTThHHHHHHHHHHhTt  hHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHHHHhtTeEEEEEtTTtTTtThHHHHHHHhS  summary  
  sequence  IQAATYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFT  sequence 
                   210       220       230       240       250       260       270       280       290       300
 
    author                                                                                              author   
 Kabs/Sand     SEEEEEESS   HHHHHHHHTT SS B  S   SSS EEEEE HHHHHHTSTT      S EEEEE  SS HHHHHHHHHHHHHHT   Kabs/Sand
 chirality  ---++-----+----++++++++++-++--+-+-++-+---+----+++++++--+---+-+---------+--++++++++++++++    chirality
     bends     S      SS   SSSSSSSSSS SS    S   SSS       SSSSSSSSSS      S        SS SSSSSSSSSSSSSS    bends    
     turns                TTTTTTTTTTTT                   TTTTTTTTTTTT                TTTTTTTTTTTTTTTTT  turns    
   5-turns                                                                                              5-turns  
   3-turns                       >>3<<                   >33<>>333<       >>><<<  3-turns  
  bridge-2      HHHHH                               a                       IIIII                       bridge-2 
  bridge-1        GGGG                   a          IIIII                   HHHHH                       bridge-1 
    sheets      BBBBBB                              BBBBB                   BBBBB                       sheets   
   4-turns                >>>>XX<<<<                     >>>><<<<                    >>>>XXXXXXXX<<<<   4-turns  
   summary     eEEEEEEeS  hHHHHHHHHhTtSS B  S   SSS EEEEEhHHHHHHhtTTt     SeEEEEEe SShHHHHHHHHHHHHHHht  summary  
  sequence  GSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV  sequence 
                   310       320       330       340       350       360       370       380       390
 
 
 
 
 Messages
 chain break between  205(A 209 ) and  206(A 211 )