Secondary structure calculation program - copyright by David Keith Smith, 1989
 1jsdA.pdb                                                   
 1JSD  VIRUS/VIRAL PROTEIN  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  317
             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    ASP D                    0    0  999.9  150.2 -179.4  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  2  3
    2 A   2    LYS K               -    0    0 -156.0  158.8  177.9 -149.1 999.9 173.7    0  0.0    0  0.0    0  0.0    0  0.0  3  5
    3 A   3    ILE I               -    0    0 -133.2  136.2 -177.3 -163.7  19.7 175.5    0  0.0    0  0.0    0  0.0    0  0.0  4  6
    4 A   4    CYS C               -    0    0 -122.8  153.4  177.8 -137.2  14.5 152.3    0  0.0    0  0.0    0  0.0    0  0.0  4  7
    5 A   5    ILE I               +    0    0 -107.5  137.2 -179.4  153.9  37.3 152.3    0  0.0    0  0.0    0  0.0    0  0.0  4  7
    6 A   6    GLY G               -    0    0 -150.0 -176.6 -179.6 -128.6  30.4 151.4    0  0.0    0  0.0    0  0.0    0  0.0  4 14
    7 A   7    TYR Y               -    0    0 -141.6  159.8 -177.2  -84.8  34.3 162.7    0  0.0    0  0.0    0  0.0    0  0.0  4 18
    8 A   8    GLN Q               -    0    0  -71.9  142.6  176.4 -174.9  31.2 108.0    0  0.0    0  0.0    0  0.0    0  0.0  6 21
    9 A   9    SER S               +    0    0 -129.3  144.9  179.7  176.1  12.3 163.6    0  0.0    0  0.0    0  0.0    0  0.0  9 25
   10 A  10    THR T               -    0    0 -141.6  177.7  179.1 -103.8  45.3 148.7    0  0.0    0  0.0    0  0.0    0  0.0  7 24
   11 A  11    ASN N               +    0    0  -91.4   18.0  178.2  140.3  69.2  81.0    0  0.0    0  0.0    0  0.0    0  0.0  5 22
   12 A  12    SER S               -    0    0  -58.6  141.4  177.9 -162.7  40.7 109.2    0  0.0    0  0.0    0  0.0    0  0.0  9 26
   13 A  13    THR T               +    0    0 -108.8    7.9  179.7  127.5  48.2  74.1    0  0.0    0  0.0    0  0.0    0  0.0  7 28
   14 A  14    GLU E     e         -    0    0  -65.5  143.4  178.0 -177.9  35.4 110.0    0  0.0   26 -2.2    0  0.0    0  0.0  9 32
   15 A  15    THR T   E E  AA     -   25    0 -140.9  154.0  178.4 -167.6   7.8 165.8    0  0.0    0  0.0    0  0.0    0  0.0 10 35
   16 A  16    VAL V   E E  AA     -   24    0 -136.4  166.1  179.0 -125.1  16.6 154.5   24 -2.1   24 -3.2    0  0.0    0  0.0 13 33
   17 A  17    ASP D               +    0    0 -114.0  154.8  176.3  179.3  21.2 144.3    0  0.0    0  0.0    0  0.0    0  0.0  9 31
   18 A  18    THR T               -    0    0 -135.0 -176.3 -179.8  -98.0  46.4 137.6   21 -2.9    0  0.0    0  0.0    0  0.0  7 21
   19 A  19    LEU L   S S        S+    0    0  -79.3  -27.7 -178.7   41.4 122.9  36.0    0  0.0    0  0.0    0  0.0    0  0.0  5 13
   20 A  20    THR T   S S        S+    0    0 -101.2    7.7 -179.4   19.1 125.8  71.1    0  0.0    0  0.0    0  0.0    0  0.0  4 11
   21 A  21    GLU E               -    0    0 -173.3  142.2  179.6 -146.9  63.3 154.5    0  0.0   18 -2.9    0  0.0    0  0.0  7 14
   22 A  22    THR T   S S        S+    0    0 -119.3  152.8 -179.1   20.1  76.5 151.1    0  0.0    0  0.0    0  0.0    0  0.0  8 20
   23 A  23    ASN N   S S        S+    0    0   60.0   44.7  178.8  179.9  73.8  25.7    0  0.0    0  0.0    0  0.0    0  0.0  7 26
   24 A  24    VAL V   E E  AA     -   16    0  -76.4  123.9  179.9 -124.3  28.3 130.6   16 -3.2   16 -2.1    0  0.0    0  0.0 10 32
   25 A  25    PRO P   E E  AA     -   15    0  -71.3  135.1  178.7 -176.8  35.3 121.5    0  0.0  313 -2.3    0  0.0    0  0.0 12 32
   26 A  26    VAL V   B e   A     -  312    0 -133.2  155.7 -179.7 -132.3  35.0 160.3   14 -2.2    0  0.0    0  0.0    0  0.0 15 32
   27 A  27    THR T   S S        S+    0    0  -72.7  -35.1 -179.4   12.6  94.0  32.0  311 -2.3    0  0.0    0  0.0    0  0.0 16 30
   28 A  28    HIS H     e         +    0    0 -146.0  141.9  179.5  166.6  67.7 177.2    0  0.0  310 -2.5    0  0.0  309 -2.4 10 30
   29 A  29    ALA A   E E  BB     -  308    0 -148.9  163.6  179.0 -137.2  23.1 162.9    0  0.0    0  0.0    0  0.0    0  0.0 13 31
   30 A  30    LYS K   E E  BB     -  307    0 -132.2  123.0  178.1 -138.1  13.7 168.2  307 -2.7  307 -2.9    0  0.0    0  0.0  8 32
   31 A  31    GLU E   E E  BB     -  306    0  -76.4  123.3 -179.3 -174.8  17.4 130.7    0  0.0    0  0.0    0  0.0    0  0.0  9 33
   32 A  32    LEU L     e         +    0    0  -96.8   -5.6 -178.1   86.9  57.3  60.2  305 -2.5  285 -1.8    0  0.0   34 -0.5 11 35
   33 A  33    LEU L   E E  Cc     -  285    0 -104.3  124.9  178.0 -152.0  63.5 149.1    0  0.0    0  0.0    0  0.0    0  0.0 13 34
   34 A  34    HIS H   E E  Cc     +  286    0  -90.8  128.9 -177.4  169.6  20.4 142.8  285 -2.6  287 -1.6   32 -0.5    0  0.0 12 40
   35 A  35    THR T               +    0    0 -122.5    2.3 -178.7   90.9  41.7  66.1    0  0.0    0  0.0    0  0.0    0  0.0  8 39
   36 A  36    SER S               +    0    0 -105.4  153.4  177.9  173.0  41.0 135.8    0  0.0    0  0.0    0  0.0    0  0.0  6 38
   37 A  37    HIS H               -    0    0 -147.5  162.4 -177.9 -117.9  38.7 161.8    0  0.0    0  0.0    0  0.0    0  0.0  9 44
   38 A  38    ASN N               -    0    0  -87.5    4.4  179.6 -126.2  40.2  68.2  278 -2.3    0  0.0    0  0.0    0  0.0  7 34
   39 A  39    GLY G   S S        S+    0    0   58.7   25.1  179.9  104.1  73.7  42.8    0  0.0    0  0.0    0  0.0    0  0.0  9 33
   40 A  40    MET M   S S        S-    0    0 -135.2  162.2  176.1 -119.7  74.2 156.1    0  0.0   42 -0.7    0  0.0    0  0.0 11 41
   41 A  41    LEU L   E E  Dd     +  265    0  -99.5  116.2 -178.6  167.3  49.1 155.3  264 -2.1  266 -2.3    0  0.0    0  0.0 14 54
   42 A  42    CYS C   E E  D*     -    0    0 -121.5 -176.8  177.8  -84.4  38.5 126.7   40 -0.7    0  0.0    0  0.0    0  0.0 15 46
   43 A  43    ALA A   E E  Dd     -  269    0  -86.0  157.5  178.5 -155.9  40.0 122.3  268 -2.5  270 -2.7    0  0.0    0  0.0 13 49
   44 A  44    THR T   B B   B > T -   47    0 -117.7 -169.3  178.9  -74.9  45.9 119.9   47 -2.2   47 -2.0    0  0.0    0  0.0 13 46
   45 A  45    ASN N   T T     3 TS+    0    0  -64.8  -14.3  179.3   57.1 133.7  47.7    0  0.0    0  0.0    0  0.0    0  0.0  9 33
   46 A  46    LEU L   T T     3 TS-    0    0  -95.9    0.8  179.1 -108.8 116.6  66.1    0  0.0    0  0.0    0  0.0    0  0.0  9 38
   47 A  47    GLY G   B B   B < T -   44    0  111.6 -167.2 -178.6  -18.7  54.9 130.1   44 -2.0   44 -2.2    0  0.0    0  0.0  8 39
   48 A  48    HIS H               -    0    0  -84.1  148.1  179.7 -113.1  63.3 120.6    0  0.0   77 -1.0    0  0.0    0  0.0 10 45
   49 A  49    PRO P               -    0    0  -78.1  157.6  176.7 -115.9  22.9 112.1    0  0.0   51 -0.8    0  0.0    0  0.0 11 59
   50 A  50    LEU L   E E  Ee     -   79    0  -91.8  112.2 -179.1 -158.4  34.2 149.0   78 -2.8   80 -2.9    0  0.0   52 -0.7 11 60
   51 A  51    ILE I   E E  Ee     -   80    0 -101.1  114.2 -179.2 -164.9   7.0 149.1   49 -0.8   53 -0.8    0  0.0    0  0.0  8 53
   52 A  52    LEU L   E E  Ee     +   81    0  -99.6  102.1 -179.3  162.3  19.3 146.5   80 -3.4   82 -2.7   50 -0.7    0  0.0 12 50
   53 A  53    ASP D   S S        S+    0    0  -92.7  -23.4 -179.9   13.3  80.2  42.6   51 -0.8    0  0.0    0  0.0    0  0.0  9 36
   54 A  54    THR T   S S        S+    0    0 -124.2  -20.2 -178.6   60.7 119.1  53.2    0  0.0   87 -2.5    0  0.0   86 -1.1 10 34
   55 A  55    CYS C   B B   c     -   87    0 -117.6  142.9  178.8 -138.3  67.2 152.6    0  0.0    0  0.0    0  0.0    0  0.0 14 44
   56 A  56    THR T     h >     T -    0    0  -88.4  166.1 -179.5 -100.7  36.4 117.6   87 -2.0   60 -2.1    0  0.0    0  0.0 12 48
   57 A  57    ILE I   H H >     TS+    0    0  -54.2  -46.4  179.9   45.9 124.9  23.7    0  0.0   61 -2.6    0  0.0    0  0.0 11 68
   58 A  58    GLU E   H H >     TS+    0    0  -68.1  -29.8  178.4   58.2 107.5  32.8    0  0.0   62 -2.7    0  0.0    0  0.0 11 64
   59 A  59    GLY G   H H >    >TS+    0    0  -63.4  -39.2  179.1   44.2 110.5  24.7    0  0.0   64 -3.1    0  0.0   63 -0.7 13 65
   60 A  60    LEU L   H H <    5TS+    0    0  -68.2  -48.9 -179.1   50.3 113.3  20.6   56 -2.1    0  0.0    0  0.0    0  0.0 13 64
   61 A  61    ILE I   H H <    5TS+    0    0  -57.4  -49.4 -179.8   38.2 117.3  21.9   57 -2.6    0  0.0    0  0.0    0  0.0  9 75
   62 A  62    TYR Y   H H <    5TS-    0    0  -79.9   -9.4  178.8 -117.5 114.0  55.0   58 -2.7  140 -1.5    0  0.0    0  0.0 12 72
   63 A  63    GLY G   T h <    5T -    0    0   75.7   45.9  177.4 -155.1  27.3  22.3   59 -0.7  139 -1.8    0  0.0    0  0.0 13 61
   64 A  64    ASN N     t     > T +    0    0  -57.1  -28.8  179.4   71.3  62.5  38.5    0  0.0   71 -1.8    0  0.0    0  0.0  8 36
   69 A  69    LEU L   G G     3 TS+    0    0  -60.1  -18.2 -178.9   52.1  98.8  43.1    0  0.0    0  0.0    0  0.0    0  0.0  5 31
   70 A  70    LEU L   G G     X TS+    0    0  -96.8   -4.7 -179.4   90.1  81.8  59.2   67 -2.3   73 -1.4    0  0.0    0  0.0  8 44
   71 A  71    LEU L   T g     < TS+    0    0  -60.9  -31.6 -178.2   66.8  76.7  35.9   68 -1.8    0  0.0    0  0.0    0  0.0  9 39
   72 A  72    GLY G   T T     3 TS-    0    0  -68.5  -13.0 -179.8 -108.5 109.9  52.9    0  0.0    0  0.0    0  0.0    0  0.0  7 30
   73 A  73    GLY G     t     < T -    0    0   98.5  148.9 -179.7 -148.5  32.9  86.2   70 -1.4    0  0.0    0  0.0    0  0.0  9 40
   74 A  74    ARG R   E E  FF     -  111    0 -146.6  167.7  175.1 -149.1   6.6 157.6  111 -0.8  111 -1.7    0  0.0    0  0.0  9 42
   75 A  75    GLU E   E E  FF     +  110    0 -138.7  147.4 -176.1  173.0  25.4 167.6    0  0.0    0  0.0    0  0.0    0  0.0  8 44
   76 A  76    TRP W     e         -    0    0 -153.5  167.2  177.8 -141.1  43.3 165.7  109 -2.4    0  0.0    0  0.0    0  0.0 13 46
   77 A  77    SER S   S S        S-    0    0  -96.7  -38.9  177.4  -12.0  94.4  41.5   48 -1.0  255 -3.2    0  0.0    0  0.0 15 50
   78 A  78    TYR Y   S e        S-    0    0 -155.0  167.2 -179.0 -112.9  70.5 162.8    0  0.0   50 -2.8    0  0.0    0  0.0 15 58
   79 A  79    ILE I   E E  Eeg    -   50  258 -113.2  138.7  178.1 -164.4  17.7 153.6  257 -2.3  259 -3.2    0  0.0    0  0.0 14 64
   80 A  80    VAL V   E E  Eeg    -   51  259 -121.3  122.6  178.3 -164.4   2.9 170.5   50 -2.9   52 -3.4    0  0.0   82 -0.7 12 59
   81 A  81    GLU E   E E  Ee     -   52    0 -108.9  109.5  179.9 -146.4  15.7 158.1  259 -3.3    0  0.0    0  0.0    0  0.0 15 44
   82 A  82    ARG R     e     > T -    0    0  -70.5  156.7  179.6 -118.5  22.1 108.5   52 -2.7   85 -1.6   80 -0.7    0  0.0 12 35
   83 A  83    PRO P   T T     3 TS+    0    0  -68.5  -16.2  179.4   63.5 115.8  45.0    0  0.0    0  0.0    0  0.0    0  0.0  9 24
   84 A  84    SER S   T T     3 TS+    0    0  -81.8  -11.4  179.5  107.1  73.9  54.3    0  0.0   86 -1.1    0  0.0    0  0.0  6 24
   85 A  85    ALA A     t     < T +    0    0  -71.8  101.9 -179.2  142.4  32.2 125.3   82 -1.6    0  0.0    0  0.0    0  0.0 11 35
   86 A  86    VAL V               +    0    0 -121.1   -4.1  179.8  103.7  32.1  64.8   54 -1.1   88 -1.2   84 -1.1    0  0.0  8 36
   87 A  87    ASN N   B B   c     +   55    0  -86.1   98.3  179.7  119.9  45.1 134.3   54 -2.5   56 -2.0    0  0.0    0  0.0 12 42
   88 A  88    GLY G   S S        S-    0    0 -120.2 -108.8  178.9   -0.7  76.2  70.9   86 -1.2   90 -1.2    0  0.0    0  0.0 11 49
   89 A  89    MET M               -    0    0  -92.9   94.8 -178.9 -175.7  63.7 139.7    0  0.0    0  0.0    0  0.0    0  0.0 11 58
   90 A  90    CYS C               +    0    0  -57.8  -44.6  178.8   65.2  68.5  28.1   88 -1.2    0  0.0    0  0.0    0  0.0  9 52
   91 A  91    TYR Y   S S        S-    0    0  -84.7  128.1 -179.7  -95.6 107.6 136.9    0  0.0    0  0.0    0  0.0    0  0.0 10 54
   92 A  92    PRO P   S S        S+    0    0  -43.4  128.2  180.0   87.7  80.3  94.5    0  0.0  220 -1.9    0  0.0    0  0.0 11 46
   93 A  93    GLY G               -    0    0  154.0  162.3 -179.6 -101.5  64.3 141.6    0  0.0    0  0.0    0  0.0    0  0.0  9 51
   94 A  94    ASN N               -    0    0 -117.1  153.4 -180.0 -122.0  23.0 147.1    0  0.0  222 -2.4    0  0.0   96 -0.6  8 41
   95 A  95    VAL V   B B   d > T -  222    0  -91.3  121.8  178.5 -124.4  30.3 142.1    0  0.0   98 -1.0    0  0.0    0  0.0  8 44
   96 A  96    GLU E   T T     3 TS+    0    0  -65.5  134.3 -179.5    2.7  93.6 117.0  222 -2.5    0  0.0   94 -0.6    0  0.0  8 34
   97 A  97    ASN N   T h >   3 TS+    0    0   52.8   51.3 -179.5  168.2  80.2  23.4    0  0.0  101 -1.9    0  0.0    0  0.0  6 27
   98 A  98    LEU L   H H >   < T +    0    0  -60.7  -45.3 -179.5   55.6  69.3  26.7   95 -1.0  102 -2.7    0  0.0    0  0.0  8 34
   99 A  99    GLU E   H H >     TS+    0    0  -58.1  -40.0  179.4   47.3 109.6  26.7    0  0.0  103 -2.0    0  0.0    0  0.0  6 26
  100 A 100    GLU E   H H >     TS+    0    0  -68.7  -39.6  179.3   51.7 110.8  26.1    0  0.0  104 -2.9    0  0.0    0  0.0  7 28
  101 A 101    LEU L   H H X     TS+    0    0  -60.5  -50.5 -179.4   44.8 112.6  16.8   97 -1.9  105 -2.7    0  0.0    0  0.0 10 43
  102 A 102    ARG R   H H X     TS+    0    0  -62.8  -36.4  179.4   49.6 114.5  30.5   98 -2.7  106 -2.6    0  0.0    0  0.0 10 51
  103 A 103    SER S   H H X     TS+    0    0  -67.5  -48.8  179.5   48.2 111.3  17.8   99 -2.0  107 -2.0    0  0.0    0  0.0  9 40
  104 A 104    LEU L   H H X     TS+    0    0  -55.3  -49.7 -179.9   46.3 115.0  21.3  100 -2.9  108 -0.8    0  0.0    0  0.0  8 43
  105 A 105    PHE F   H H <   > TS+    0    0  -59.6  -52.9 -178.2   48.0 112.7  16.8  101 -2.7  108 -1.3    0  0.0    0  0.0  9 60
  106 A 106    SER S   H H <   3 TS+    0    0  -62.1  -26.5 -179.5   62.0 104.1  39.5  102 -2.6  256 -0.6    0  0.0    0  0.0 13 49
  107 A 107    SER S   H H <   3 TS+    0    0  -72.8  -22.5  178.7   75.5  94.1  42.3  103 -2.0  254 -1.7    0  0.0    0  0.0 11 39
  108 A 108    ALA A   S h <   < TS-    0    0  -78.8  174.2  178.3 -141.6  75.5 105.0  105 -1.3    0  0.0  104 -0.8    0  0.0 13 43
  109 A 109    SER S   S e        S+    0    0 -117.6   -0.4  178.6    9.5  76.2  67.4  251 -2.9   76 -2.4    0  0.0    0  0.0 14 41
  110 A 110    SER S   E E  FFH    -   75  251 -170.4  159.7  177.1 -155.6  54.3 167.8  251 -1.0  251 -2.1    0  0.0    0  0.0 11 46
  111 A 111    TYR Y   E E  FFH    -   74  250 -141.7  151.0  178.3 -170.9   3.9 168.5   74 -1.7   74 -0.8    0  0.0    0  0.0 12 52
  112 A 112    GLN Q   E E  F H    -    0  249 -142.1  129.6 -179.8 -122.5  26.8 169.6  249 -1.0  249 -3.0    0  0.0    0  0.0 10 40
  113 A 113    ARG R   E E  F H    -    0  248  -75.6  149.9  179.0 -171.6  26.2 115.7    0  0.0    0  0.0    0  0.0    0  0.0 11 47
  114 A 114    ILE I   E E  F H    -    0  247 -142.2  133.5 -179.3 -118.1  25.3 174.5  247 -2.2  247 -3.2    0  0.0    0  0.0  8 45
  115 A 115    GLN Q   E E  F H    +    0  246  -75.8  130.8 -179.6  174.8  30.3 125.1    0  0.0    0  0.0    0  0.0    0  0.0  8 45
  116 A 116    ILE I   S e        S+    0    0  -98.7  -54.7  179.6   21.6  70.4  29.8  245 -2.9    0  0.0    0  0.0    0  0.0  9 53
  117 A 117    PHE F   S S        S-    0    0 -121.8  113.7  179.7 -139.8  76.8 162.1  245 -1.1    0  0.0    0  0.0    0  0.0 11 48
  118 A 118    PRO P     g     > T -    0    0  -69.8  147.2 -179.6 -118.3  23.5 114.6    0  0.0  121 -1.8    0  0.0    0  0.0  7 35
  119 A 119    ASP D   G G     > TS+    0    0  -53.8  -29.9 -178.5   67.1 110.0  38.4    0  0.0  122 -0.9    0  0.0    0  0.0  7 33
  120 A 120    THR T   G G     3 TS+    0    0  -66.7  -23.1 -178.4   70.0  84.7  43.6    0  0.0    0  0.0    0  0.0    0  0.0  5 26
  121 A 121    ILE I   G G     < TS+    0    0  -66.7  -29.1 -178.0   90.6  82.7  35.9  118 -1.8    0  0.0    0  0.0    0  0.0  7 34
  122 A 122    TRP W     g     < T -    0    0  -73.6  149.6  178.9 -163.8  55.3 108.7  119 -0.9    0  0.0    0  0.0    0  0.0  8 41
  123 A 123    ASN N   S S        S+    0    0 -114.9   18.7  178.9   59.8  77.7  87.0    0  0.0    0  0.0    0  0.0    0  0.0  9 34
  124 A 124    VAL V   S S        S-    0    0 -135.0  175.8  180.0  -70.9 102.1 142.6    0  0.0    0  0.0    0  0.0    0  0.0 11 39
  125 A 125    SER S   B B   E     +  145    0  -72.1  149.3 -178.8  175.2  41.3 114.5  145 -2.2  145 -2.0    0  0.0    0  0.0 10 39
  126 A 126    TYR Y               +    0    0 -134.8   -0.6 -178.1   84.4  56.9  66.7    0  0.0  143 -0.5    0  0.0    0  0.0 10 47
  127 A 127    SER S   B B   f     +  143    0  -95.7   23.9  179.3  149.4  54.0  83.7    0  0.0    0  0.0    0  0.0    0  0.0  7 38
  128 A 128    GLY G               +    0    0  -57.6  140.5  180.0  179.8  21.3 105.1  143 -1.1    0  0.0    0  0.0    0  0.0 11 44
  129 A 129    THR T               -    0    0 -135.8  173.3 -179.9 -142.3  15.5 146.8    0  0.0    0  0.0    0  0.0    0  0.0  9 40
  130 A 130    SER S     g     >>T -    0    0 -143.2  148.5  179.0 -134.1  21.9 173.9  136 -2.4  135 -1.1    0  0.0  133 -0.9 10 40
  131 A 131    SER S   G G     >5TS+    0    0  -69.4  -20.9 -179.9   63.3 109.7  43.9    0  0.0  134 -0.7    0  0.0    0  0.0  7 27
  132 A 132    ALA A   G G     35TS+    0    0  -75.0  -21.8 -179.5   51.7 101.8  43.2    0  0.0    0  0.0    0  0.0    0  0.0 10 33
  133 A 133    CYS C   G G     X5TS-    0    0 -112.4   51.5  179.2  -81.5 133.1 110.2  130 -0.9  136 -1.4    0  0.0    0  0.0 13 41
  134 A 134    SER S   T g     <5TS-    0    0   56.8   34.5 -179.8  -64.2  84.9  33.5  131 -0.7    0  0.0    0  0.0    0  0.0  9 30
  135 A 135    ASP D   T T     3     TS-    0    0 -140.4  164.0  179.7 -117.8  75.9 157.9    0  0.0  181 -1.6    0  0.0    0  0.0  9 30
  178 A 178    ASP D   H H >     TS+    0    0  -71.0  -28.5  179.7   59.4 113.5  37.8    0  0.0  182 -2.3    0  0.0    0  0.0 10 28
  179 A 179    THR T   H H >     TS+    0    0  -66.3  -44.2  179.5   46.3 105.8  23.5    0  0.0  183 -2.8    0  0.0    0  0.0  6 28
  180 A 180    VAL V   H H >     TS+    0    0  -65.3  -39.4  179.5   54.5 111.2  26.6    0  0.0  184 -2.4    0  0.0    0  0.0  9 36
  181 A 181    GLN Q   H H X     TS+    0    0  -57.9  -58.6  179.9   33.9 116.7  14.0  177 -1.6  185 -3.1    0  0.0    0  0.0 14 43
  182 A 182    THR T   H H X     TS+    0    0  -63.6  -42.0 -179.8   58.7 116.1  24.5  178 -2.3  186 -3.0    0  0.0    0  0.0 10 35
  183 A 183    ASN N   H H <     TS+    0    0  -54.9  -39.5 -179.3   31.1 117.9  30.9  179 -2.8    0  0.0    0  0.0    0  0.0  8 34
  184 A 184    LEU L   H H <     TS+    0    0  -90.6  -37.2 -177.5   19.9 137.6  33.8  180 -2.4  146 -2.9    0  0.0    0  0.0  9 49
  185 A 185    TYR Y   H H <     TS-    0    0 -117.9    4.1  178.7 -127.0  89.7  67.7  181 -3.1    0  0.0    0  0.0    0  0.0 14 51
  186 A 186    THR T   S h <     TS+    0    0   72.0  -19.0 -179.5   59.7  87.6  78.1  182 -3.0    0  0.0    0  0.0    0  0.0 12 37
  187 A 187    ARG R               -    0    0 -140.6  155.4 -179.2 -147.3  66.3 165.6    0  0.0    0  0.0    0  0.0    0  0.0  8 39
  188 A 188    THR T   S S        S+    0    0  -97.1  -12.4 -180.0   63.9  88.3  55.3    0  0.0  190 -0.6    0  0.0    0  0.0  8 38
  189 A 189    ASP D               +    0    0 -117.3  102.6 -179.2  161.7  69.3 154.0    0  0.0    0  0.0    0  0.0    0  0.0  6 35
  190 A 190    THR T               -    0    0 -121.0  163.7  179.3 -153.6  27.1 142.0  188 -0.6    0  0.0    0  0.0    0  0.0 11 43
  191 A 191    THR T     e         -    0    0 -138.1  123.8  179.7 -176.1  12.1 170.4    0  0.0  238 -0.6    0  0.0    0  0.0 12 40
  192 A 192    THR T   E E  GNO    -  203  237 -122.8  136.6  179.5 -171.4   2.9 165.5  203 -2.4  203 -3.3    0  0.0    0  0.0 14 49
  193 A 193    SER S   E E  GNO    -  202  236 -132.4  137.9  178.8 -168.5  12.5 171.6  236 -2.9  236 -2.3    0  0.0  195 -0.5 12 44
  194 A 194    VAL V   E E  GNO    +  201  235 -122.5  111.7 -177.1  167.0  28.4 167.4  201 -2.9  201 -2.3    0  0.0    0  0.0 12 52
  195 A 195    THR T   E E  GNO    +  200  234 -134.1  156.3  178.3  163.7  18.8 157.5  234 -3.0  234 -3.2  193 -0.5    0  0.0 11 41
  196 A 196    THR T     e         -    0    0 -145.0 -169.7  178.6  -76.6  62.8 136.5  199 -2.4    0  0.0    0  0.0    0  0.0 11 37
  197 A 197    GLU E   S S        S+    0    0  -70.0  -21.1 -179.1   31.0 134.0  41.3    0  0.0    0  0.0    0  0.0    0  0.0  7 24
  198 A 198    ASP D   S S        S+    0    0 -107.1  -32.9 -179.7   54.1 115.4  41.5    0  0.0    0  0.0    0  0.0    0  0.0  5 25
  199 A 199    ILE I     e         -    0    0 -110.5  153.3 -179.7 -176.6  45.8 142.9    0  0.0  196 -2.4    0  0.0    0  0.0  7 27
  200 A 200    ASN N   E E  GN     +  195    0 -143.7   73.7 -178.5  167.8  21.8 126.8    0  0.0    0  0.0    0  0.0    0  0.0  8 25
  201 A 201    ARG R   E E  GN     -  194    0  -98.3  135.8  179.8 -177.9   9.3 140.1  194 -2.3  194 -2.9    0  0.0    0  0.0  7 34
  202 A 202    THR T   E E  GN     -  193    0 -130.6  147.6 -178.2 -165.0   4.8 163.6    0  0.0    0  0.0    0  0.0    0  0.0  8 37
  203 A 203    PHE F   E E  GN     -  192    0 -139.2  148.8  179.7 -164.8   9.0 169.8  192 -3.3  192 -2.4    0  0.0    0  0.0  8 37
  204 A 204    LYS K               -    0    0 -129.0  143.0 -179.9 -119.9  25.0 165.1    0  0.0    0  0.0    0  0.0    0  0.0  8 37
  205 A 205    PRO P               -    0    0  -84.1  157.6  178.9 -158.8  13.6 116.0    0  0.0    0  0.0    0  0.0    0  0.0 11 43
  206 A 206    VAL V               -    0    0 -138.6   97.7 -178.8 -150.1  14.3 147.3    0  0.0    0  0.0    0  0.0    0  0.0  6 37
  207 A 207    ILE I               +    0    0  -69.8  145.2 -179.8  100.0  44.2 110.7    0  0.0    0  0.0    0  0.0    0  0.0 10 38
  208 A 208    GLY G   S S        S-    0    0  150.3  150.5 -179.9  -81.3  70.5 128.1  175 -2.1    0  0.0    0  0.0    0  0.0 10 30
  209 A 209    PRO P               -    0    0  -83.5  128.7  178.3 -164.1  37.7 129.6    0  0.0    0  0.0    0  0.0    0  0.0  9 26
  210 A 210    ARG R               -    0    0  -98.2  168.0  179.7  -68.7  44.0 123.5  217 -2.6    0  0.0    0  0.0    0  0.0  8 26
  211 A 211    PRO P               -    0    0  -57.3  148.3 -179.2  -83.4  69.7 104.2    0  0.0    0  0.0    0  0.0    0  0.0  6 21
  212 A 212    LEU L               +    0    0  -58.7  130.7  177.9  169.9  53.0 106.0    0  0.0    0  0.0    0  0.0    0  0.0  7 22
  213 A 213    VAL V   B B   G > TS-  216    0 -143.8  120.8 -178.8  -10.5  74.7 163.7  216 -1.8  216 -1.5    0  0.0    0  0.0  7 27
  214 A 214    ASN N   T T     3 TS-    0    0   55.7   36.8  179.1  -58.8 130.0  28.0    0  0.0    0  0.0    0  0.0    0  0.0  8 28
  215 A 215    GLY G   T T     3 TS+    0    0   67.7   21.3 -179.4  112.4 114.8  47.2    0  0.0    0  0.0    0  0.0    0  0.0  6 24
  216 A 216    LEU L   B B   G < T -  213    0 -129.6  147.9  179.4 -166.7  50.1 161.6  213 -1.5  213 -1.8    0  0.0    0  0.0 10 31
  217 A 217    HIS H   S S        S+    0    0 -101.2  -17.1  179.6   82.7  72.1  54.8    0  0.0  210 -2.6    0  0.0    0  0.0 11 32
  218 A 218    GLY G               -    0    0  -82.1  174.1 -179.5 -154.5  64.0 105.1    0  0.0    0  0.0    0  0.0    0  0.0 12 45
  219 A 219    ARG R   E E  FK     -  174    0 -147.0  164.0  175.6 -150.4  16.2 162.7  174 -1.9  174 -3.4    0  0.0    0  0.0 13 49
  220 A 220    ILE I   E E  FK     -  173    0 -136.8  120.6  178.0 -146.0  17.2 168.9   92 -1.9  222 -0.6    0  0.0    0  0.0 12 63
  221 A 221    ASP D   E E  FK     -  172    0  -86.4  124.7 -179.3 -145.5  23.9 144.1  172 -2.5  172 -2.0    0  0.0    0  0.0 12 50
  222 A 222    TYR Y   E E  FKd    +  171   95  -98.5  143.3 -179.7  175.2  21.7 138.8   94 -2.4   96 -2.5  220 -0.6    0  0.0 12 59
  223 A 223    TYR Y   E E  FK     -  170    0 -138.2  165.6  179.1 -174.3   7.1 154.1  170 -3.0  170 -2.1    0  0.0    0  0.0  9 57
  224 A 224    TRP W   E E  FK     +  169    0 -155.6  164.3  178.2  167.7   6.2 166.8    0  0.0    0  0.0    0  0.0    0  0.0 10 63
  225 A 225    SER S   E E  FK     -  168    0 -167.0  174.4 -179.2 -104.9  33.0 162.5  168 -1.8  168 -2.8    0  0.0    0  0.0  7 58
  226 A 226    VAL V   E E  FK     -  167    0 -122.7  122.4  179.6 -149.1  17.6 163.7    0  0.0  228 -0.8    0  0.0    0  0.0  8 55
  227 A 227    LEU L   E E  FK     -  166    0  -88.8  111.1 -179.4 -145.3  21.9 140.3  166 -3.3  166 -2.5    0  0.0    0  0.0 13 49
  228 A 228    LYS K     t     > T -    0    0  -73.2  158.6  179.9  -73.8  36.5 108.4  226 -0.8  231 -2.0    0  0.0    0  0.0  9 33
  229 A 229    PRO P   T T     3 TS+    0    0  -53.4  135.9  179.4   14.2 120.0 103.1    0  0.0    0  0.0    0  0.0    0  0.0 11 29
  230 A 230    GLY G   T T     3 TS+    0    0   84.7  -20.0 -179.9  123.8  98.8  80.1  160 -2.7    0  0.0    0  0.0    0  0.0  8 24
  231 A 231    GLN Q     e     < T -    0    0  -74.2  159.4  179.6 -134.7  54.5 109.1  228 -2.0  160 -2.9    0  0.0    0  0.0 10 30
  232 A 232    THR T   E E  GJ     -  159    0 -118.2  132.9  178.3 -151.6   8.0 162.0    0  0.0    0  0.0    0  0.0    0  0.0 11 37
  233 A 233    LEU L   E E  GJ     -  158    0 -102.9  131.7  179.4 -174.7  15.5 152.0  158 -3.6  158 -2.3    0  0.0    0  0.0 13 49
  234 A 234    ARG R   E E  GJO    -  157  195 -131.1  130.9  179.3 -170.7   4.5 173.5  195 -3.2  195 -3.0    0  0.0    0  0.0 12 49
  235 A 235    VAL V   E E  GJO    -  156  194 -123.8  135.5  179.4 -179.0   3.7 166.9  156 -2.5  156 -2.2    0  0.0    0  0.0 12 57
  236 A 236    ARG R   E E  GJO    +  155  193 -131.4  140.1  179.7  151.0  13.5 171.6  193 -2.3  193 -2.9    0  0.0    0  0.0 12 45
  237 A 237    SER S   E E  GJO    -  154  192 -167.8  149.4  177.7 -166.8  37.0 164.3  154 -1.9  154 -3.6    0  0.0    0  0.0 13 52
  238 A 238    ASN N   S e        S-    0    0 -125.8   26.8  179.0  -19.8  84.5  94.9  191 -0.6    0  0.0    0  0.0    0  0.0 13 49
  239 A 239    GLY G   S S        S+    0    0  143.1  151.5  178.0   44.2 110.7 122.6    0  0.0    0  0.0    0  0.0    0  0.0 15 58
  240 A 240    ASN N   S e        S+    0    0   74.1   -3.1  179.6  136.0  70.3  69.9    0  0.0  173 -3.0    0  0.0    0  0.0 14 66
  241 A 241    LEU L   E E  F M    -    0  172  -80.9  133.4  176.4 -158.7  44.0 126.5    0  0.0  144 -1.0    0  0.0  243 -0.9 13 70
  242 A 242    ILE I   E E  FIM    -  143  171 -107.9   92.6 -175.1 -141.5  36.2 154.0  171 -3.0  171 -2.0    0  0.0    0  0.0 12 77
  243 A 243    ALA A   E E  FI     -  142    0  -66.9  147.6  179.1 -103.7   9.8 100.6  142 -1.4  142 -2.3  241 -0.9    0  0.0 11 69
  244 A 244    PRO P   E E  FI     +  141    0  -64.9  139.1  179.6  163.8  43.8 115.7    0  0.0    0  0.0    0  0.0    0  0.0 13 69
  245 A 245    TRP W     e         +    0    0 -121.9  -57.4  177.2   11.5  64.9  50.8  140 -2.9  116 -2.9    0  0.0  117 -1.1 13 58
  246 A 246    TYR Y   E E  FH     -  115    0 -126.5  143.1  177.8 -169.0  65.1 165.6  140 -1.3    0  0.0    0  0.0    0  0.0 14 59
  247 A 247    GLY G   E E  FH     -  114    0 -116.5 -175.6  179.9 -112.6  22.0 123.4  114 -3.2  114 -2.2    0  0.0    0  0.0 14 61
  248 A 248    HIS H   E E  FHL    -  113  167 -126.4  137.5  175.7 -146.4   7.6 167.4  167 -2.8  167 -3.1    0  0.0  250 -0.7 12 58
  249 A 249    ILE I   E E  FHL    -  112  166  -99.0  111.9  179.4 -158.3  23.9 154.9  112 -3.0  112 -1.0    0  0.0    0  0.0 12 50
  250 A 250    LEU L   E E  FH     -  111    0  -92.2  140.4 -180.0 -179.5  14.7 138.2  248 -0.7    0  0.0  165 -0.5    0  0.0 13 50
  251 A 251    SER S   E E  FH     +  110    0 -140.2  157.2  177.9    2.0  31.4 164.8  110 -2.1  109 -2.9    0  0.0  110 -1.0  8 38
  252 A 252    GLY G   S S        S-    0    0   66.3 -177.5  179.4  -83.3  72.7  84.3    0  0.0    0  0.0    0  0.0    0  0.0  7 32
  253 A 253    GLU E               -    0    0 -132.9  121.4  179.1 -176.9  39.0 170.8    0  0.0    0  0.0    0  0.0    0  0.0  8 34
  254 A 254    SER S               -    0    0  -97.5 -162.1  178.1  -77.5  55.5  97.8  107 -1.7    0  0.0    0  0.0    0  0.0 13 38
  255 A 255    HIS H               -    0    0  -73.5  -13.9  179.2 -132.9  61.2  49.9   77 -3.2    0  0.0    0  0.0    0  0.0 10 45
  256 A 256    GLY G               +    0    0   67.6   33.5  179.6  138.3  55.8  34.9  106 -0.6    0  0.0    0  0.0    0  0.0 12 47
  257 A 257    ARG R     e         -    0    0 -113.0  150.4  176.0 -163.5  40.9 146.4    0  0.0   79 -2.3    0  0.0    0  0.0  9 52
  258 A 258    ILE I   E E  Eg     -   79    0 -128.7  103.5  179.9 -165.3  16.6 160.7    0  0.0    0  0.0    0  0.0    0  0.0  9 52
  259 A 259    LEU L   E E  Eg     -   80    0  -94.6  132.0  179.9 -159.0   7.4 143.6   79 -3.2   81 -3.3    0  0.0  261 -0.7  9 52
  260 A 260    LYS K               +    0    0 -112.2   88.9 -178.2  112.2  46.2 143.5    0  0.0    0  0.0    0  0.0    0  0.0  9 39
  261 A 261    THR T               -    0    0 -152.7  163.3  178.8 -135.6  64.9 166.7  259 -0.7    0  0.0    0  0.0    0  0.0  9 38
  262 A 262    ASP D               +    0    0 -107.1   18.2  180.0  145.5  55.3  84.3    0  0.0    0  0.0    0  0.0    0  0.0  6 32
  263 A 263    LEU L               -    0    0  -59.1  136.8 -179.8  -98.3  59.3 108.2    0  0.0    0  0.0    0  0.0    0  0.0 10 35
  264 A 264    ASN N     e         -    0    0  -58.6  139.5  177.7 -141.1  34.1 104.6    0  0.0   41 -2.1    0  0.0    0  0.0  7 35
  265 A 265    SER S   E E  Dd     -   41    0  -98.3  154.8 -179.8 -169.9  23.4 135.0    0  0.0    0  0.0    0  0.0    0  0.0  7 39
  266 A 266    GLY G   E E  D*     -    0    0 -142.6  170.3  178.7 -102.4  38.2 155.3   41 -2.3  268 -1.6    0  0.0    0  0.0  7 30
  267 A 267    ASN N   E E  D*    S+    0    0  -91.8   74.9 -177.2  113.8  82.5 129.3    0  0.0    0  0.0    0  0.0    0  0.0  6 25
  268 A 268    CYS C   E E  D*     -    0    0 -142.0  165.2  178.5 -140.9  56.6 155.1  266 -1.6   43 -2.5    0  0.0    0  0.0  6 29
  269 A 269    VAL V   E E  Dd     +   43    0 -133.4  131.5  179.9  178.8  22.8 178.7    0  0.0    0  0.0    0  0.0    0  0.0  8 35
  270 A 270    VAL V     e         -    0    0 -131.1  162.8  178.3 -139.0  34.3 152.1   43 -2.7    0  0.0    0  0.0    0  0.0 12 41
  271 A 271    GLN Q   S e        S+    0    0  -80.9  -48.2 -177.2   32.7  96.8  24.2  279 -0.8  295 -2.8    0  0.0    0  0.0 12 45
  272 A 272    CYS C   E E  HPQ   S-  279  294 -118.6  125.9 -179.2 -168.2  70.6 159.6  279 -2.4  279 -2.7    0  0.0    0  0.0 13 51
  273 A 273    GLN Q   E E  HPQ    +  278  293 -114.9  139.2  177.4  173.0   8.4 153.9  293 -2.9  293 -2.5    0  0.0    0  0.0 14 62
  274 A 274    THR T   E E  HP > T -  277    0 -132.1  172.2  180.0 -102.4  48.9 146.5  277 -1.2  277 -0.6    0  0.0    0  0.0 12 59
  275 A 275    GLU E   T T     3 TS+    0    0  -73.0   -6.5 -179.8   49.0 123.7  53.4    0  0.0    0  0.0    0  0.0    0  0.0 12 51
  276 A 276    ARG R   T T     3 TS-    0    0 -104.4  -16.5 -178.6  -61.7 128.4  55.6    0  0.0    0  0.0    0  0.0    0  0.0 11 39
  277 A 277    GLY G   E E  HP < T -  274    0  151.0  172.3 -179.3  -86.3  54.9 145.9  274 -0.6  274 -1.2    0  0.0    0  0.0 13 47
  278 A 278    GLY G   E E  HP     -  273    0 -108.9  171.2 -179.0 -169.5  33.8 126.6    0  0.0   38 -2.3    0  0.0    0  0.0 15 53
  279 A 279    LEU L   E E  HP     -  272    0 -158.6  160.4  178.2 -149.5  19.3 174.6  272 -2.7  272 -2.4    0  0.0  271 -0.8 11 47
  280 A 280    ASN N               +    0    0 -129.3  136.2  179.2  139.3  37.1 171.0    0  0.0    0  0.0    0  0.0    0  0.0  7 42
  281 A 281    THR T               -    0    0 -173.5  156.7  177.5 -147.6  48.9 163.6    0  0.0    0  0.0    0  0.0    0  0.0  6 35
  282 A 282    THR T               +    0    0 -110.1    1.1  178.5  113.3  67.9  71.5    0  0.0    0  0.0    0  0.0    0  0.0  5 26
  283 A 283    LEU L   S S        S-    0    0  -72.4  147.4 -179.3 -128.6  71.7 118.6    0  0.0    0  0.0    0  0.0    0  0.0  9 30
  284 A 284    PRO P   S e        S+    0    0  -70.1  -23.1 -178.3   38.5  83.3  43.3    0  0.0  298 -3.1    0  0.0    0  0.0  9 31
  285 A 285    PHE F   E E  Ccr    -   33  298 -128.2  163.7  176.2 -177.5  56.0 147.7   32 -1.8   34 -2.6    0  0.0    0  0.0 11 38
  286 A 286    HIS H   E E  Ccr    -   34  299 -153.1  156.3 -179.6 -155.8  18.8 165.3  298 -1.7  300 -2.4    0  0.0    0  0.0 13 44
  287 A 287    ASN N     e         +    0    0 -123.3   22.9 -178.8  104.4  65.4  86.2   34 -1.6    0  0.0    0  0.0    0  0.0 13 41
  288 A 288    VAL V   S S        S-    0    0  -71.5  -49.2 -179.7  -28.3  91.9  19.8    0  0.0    0  0.0    0  0.0    0  0.0 12 44
  289 A 289    SER S     t     > T -    0    0 -171.9  138.1  179.3 -137.2  35.5 151.9    0  0.0  292 -1.5    0  0.0    0  0.0 10 39
  290 A 290    LYS K   T T     3 TS+    0    0  -70.2  -15.2 -179.3   65.5 106.5  46.6    0  0.0    0  0.0    0  0.0    0  0.0  7 31
  291 A 291    TYR Y   T T     3 TS+    0    0  -88.9    7.1 -179.9  134.7  74.1  69.6    0  0.0    0  0.0    0  0.0    0  0.0  6 37
  292 A 292    ALA A     t     < T -    0    0  -56.9  145.5  179.0 -178.3  31.2 100.3  289 -1.5    0  0.0    0  0.0    0  0.0 12 51
  293 A 293    PHE F   E E  HQ     +  273    0 -145.8  162.8 -178.1   48.7  36.7 163.5  273 -2.5  273 -2.9    0  0.0    0  0.0  9 51
  294 A 294    GLY G   E E  HQ    S-  272    0  112.0 -135.7  177.9  -13.8 114.5 158.2    0  0.0  296 -0.9    0  0.0    0  0.0 10 48
  295 A 295    ASN N   S e        S+    0    0 -105.0   95.6 -174.4  164.0  93.9 150.5  271 -2.8    0  0.0    0  0.0    0  0.0  7 38
  296 A 296    CYS C               -    0    0 -122.1  162.1  178.5 -121.7  42.7 139.2  294 -0.9    0  0.0    0  0.0    0  0.0  8 41
  297 A 297    PRO P               -    0    0  -81.4 -176.9  178.4  -78.1  57.8 102.3    0  0.0    0  0.0    0  0.0    0  0.0 10 37
  298 A 298    LYS K   E E  Cr     -  285    0  -88.6  133.1  178.8 -122.4  46.2 136.9  284 -3.1  286 -1.7    0  0.0    0  0.0  7 34
  299 A 299    TYR Y   E E  Cr     +  286    0  -75.2  134.8  178.4  176.6  33.9 125.3    0  0.0    0  0.0    0  0.0    0  0.0 11 38
  300 A 300    VAL V     e         -    0    0 -139.8  127.8 -178.8 -132.5  30.7 172.3  286 -2.4  302 -1.8    0  0.0    0  0.0  8 27
  301 A 301    GLY G               +    0    0  -83.4   69.9  178.9  100.5  68.2 117.8    0  0.0    0  0.0    0  0.0    0  0.0  5 22
  302 A 302    VAL V   S S        S-    0    0 -140.4  174.1 -178.9 -125.7  71.3 149.3  300 -1.8    0  0.0    0  0.0    0  0.0  6 24
  303 A 303    LYS K   S S        S+    0    0  -96.1  -24.9 -179.0    0.8  88.2  45.3    0  0.0    0  0.0    0  0.0    0  0.0  7 23
  304 A 304    SER S               -    0    0 -163.4  150.4  178.0 -165.3  43.5 168.7    0  0.0    0  0.0    0  0.0    0  0.0  7 31
  305 A 305    LEU L     e         -    0    0 -140.4   79.3 -177.9 -176.1  23.2 132.3    0  0.0   32 -2.5    0  0.0  307 -0.6  8 35
  306 A 306    LYS K   E E  BB     -   31    0  -87.4  118.2  179.8 -158.3   8.6 135.5    0  0.0    0  0.0    0  0.0    0  0.0 12 39
  307 A 307    LEU L   E E  BB     -   30    0  -97.4  129.8  178.5 -121.8  19.6 143.6   30 -2.9   30 -2.7  305 -0.6    0  0.0  9 33
  308 A 308    ALA A   E E  BB     +   29    0  -69.2  137.3  177.5  161.4  38.8 118.0    0  0.0    0  0.0    0  0.0    0  0.0 10 30
  309 A 309    VAL V     e         +    0    0 -119.7  -50.4  179.1   41.1  63.5  51.7   28 -2.4    0  0.0    0  0.0    0  0.0  8 27
  310 A 310    GLY G   S S        S-    0    0  -85.5 -163.4 -178.2  -83.8  93.5  88.5   28 -2.5    0  0.0    0  0.0    0  0.0  8 27
  311 A 311    LEU L               -    0    0 -102.2  174.4  179.1  -65.8  56.9 116.5    0  0.0   27 -2.3    0  0.0    0  0.0  8 30
  312 A 312    ARG R   B B   A     -   26    0  -60.0  130.0 -178.2 -127.9  53.6 113.8    0  0.0  314 -0.8    0  0.0    0  0.0  8 33
  313 A 313    ASN N               -    0    0  -88.0  107.6 -177.6 -179.7  32.7 138.4   25 -2.3    0  0.0    0  0.0    0  0.0 11 29
  314 A 314    VAL V               -    0    0 -115.2  110.1  179.9 -139.4  20.2 157.3  312 -0.8    0  0.0    0  0.0    0  0.0  6 24
  315 A 315    PRO P               -    0    0  -67.3  138.9  179.1 -147.3   3.2 113.7    0  0.0    0  0.0    0  0.0    0  0.0  6 20
  316 A 316    ALA A                    0    0  -69.4  -49.2 -179.8  999.9 999.9  17.6    0  0.0    0  0.0    0  0.0    0  0.0  4 14
  317 A 317    ARG R                    0    0  -70.5  999.9  999.9  999.9 999.9  13.0    0  0.0    0  0.0    0  0.0    0  0.0  2  8
 
 1jsdA.pdb                                                   
 1JSD  VIRUS/VIRAL PROTEIN  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand                EE  SS SSEEBS EEE EE    SSEEEBTTB  EEESSB HHHHHHT TT GGGTT EE SSEEE TT  BS  SS  BTTHHH  Kabs/Sand
 chirality   ---+---+-+-+---+-++-++---++---+-+++--+-+---+------+++--+++++---+++++++---+-------+++++--+-+---+++++  chirality
     bends                    SS SS   S           SS    SS      SS  SSSSSS  SS  SSSS    SS    SS   S  SS   SS SS  bends    
     turns                                             TTTT        TTTTTTTTTTTTTTTTTT        TTTT         TTTTTT  turns    
   5-turns                                                            >5555<                                      5-turns  
   3-turns                                             >33<                >33X>3X<3<        >33<         >33<    3-turns  
  bridge-2                                                                                gg                      bridge-2 
  bridge-1                AA       AAA  BBB cc      d*dB  B  eee  c                  FF   eee     c       d       bridge-1 
    sheets                AA       AA   BBB CC      DDD      EEE                     FF   EEE                     sheets   
   4-turns                                                         >>>><<<<                                 >>>>  4-turns  
   summary               eEE  SS SSEEeSeEEEeEE    SSEEEBTTB  EEESSBhHHHHHHhtTTgGGGgTtEEeSeEEEeTTt BS  SS  BThHHH  summary  
  sequence  DKICIGYQSTNSTETVDTLTETNVPVTHAKELLHTSHNGMLCATNLGHPLILDTCTIEGLIYGNPSCDLLLGGREWSYIVERPSAVNGMCYPGNVENLEE  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                                                                        author   
 Kabs/Sand  HHHHHHHSSEEEEEESS GGG SSB B   GGGTTS  SSEEE B SSS    EEEEEE  SSS EEEEEEEEE SSHHHHHHHHS S   EEEE SS E  Kabs/Sand
 chirality  +++++++-+-----++--+++-+-++++--++--+---++---+----+----++----++-+-----+------+-+++++++-+-++----++-++-+  chirality
     bends  SSSSSSSSS      SS SSS SS      SSSSSS  SS      SSS            SSS           SSSSSSSSSSS S        SS    bends    
     turns  TTTTTTTT         TTTTT       TTTTTTT                                        TTTTTTTTTT                turns    
   5-turns                               >5555<                                                                   5-turns  
   3-turns      >33<         >>3<<       >>3X<3<                                                                  3-turns  
  bridge-2           HHHHHH                           f                      LL   MM                   OOOO       bridge-2 
  bridge-1           FF             E f             III E        JJJJJJ      KKKKKKKKK                 NNNN    N  bridge-1 
    sheets           FFFFFF                         FFF          GGGGGG      FFFFFFFFF                 GGGG    G  sheets   
   4-turns  XXXX<<<<                                                                    >>>>XX<<<<                4-turns  
   summary  HHHHHHHheEEEEEEeSgGGGgSSB B  gGGGgTt  SeEEEeB SSS    EEEEEEe SSSeEEEEEEEEE ShHHHHHHHHh S  eEEEEeSSeE  summary  
  sequence  LRSLFSSASSYQRIQIFPDTIWNVSYSGTSSACSDSFYRSMRWLTQKNNAYPIQDAQYTNNRGKSILFMWGINHPPTDTVQTNLYTRTDTTTSVTTEDIN  sequence 
                   110       120       130       140       150       160       170       180       190       200
 
    author                                                                                                        author   
 Kabs/Sand  EEE    S    BTTBS EEEEEEEEE TT EEEEEESSSEEEE EEEEEES     EE     EEEEE SEEETTEEE   SSEE S TT EES  EE   Kabs/Sand
 chirality  ------+----+--+-+----+-+----++-----+--++---++-----+----+---+-+----+-+-+-+-+----+-+-+--+--++-+-+---+-  chirality
     bends         S    SSS S           SS       SSS           S              S   SS  SS      SS   S SS  SS       bends    
     turns              TTTT           TTTT                                          TTTT           TTTT          turns    
   5-turns                                                                                                        5-turns  
   3-turns              >33<           >33<                                          >33<           >33<          3-turns  
  bridge-2                       d           OOOO   MM     LL                      QQ           rr                bridge-2 
  bridge-1  NNN         G  G  KKKKKKKKK    JJJJJJ    III HHHHHH      gg     d***d  PPP  PPP     cc      QQ   rr   bridge-1 
    sheets  GGG               FFFFFFFFF    GGGGGG   FFFF FFFFFF      EE     DDDDD  HHH  HHH     CC      HH   CC   sheets   
   4-turns                                                                                                        4-turns  
   summary  EEE    S    BTTBS EEEEEEEEEtTTeEEEEEEeSeEEEEeEEEEEES    eEE    eEEEEEeeEEETTEEE   SeEEeStTTtEEe  EEe  summary  
  sequence  RTFKPVIGPRPLVNGLHGRIDYYWSVLKPGQTLRVRSNGNLIAPWYGHILSGESHGRILKTDLNSGNCVVQCQTERGGLNTTLPFHNVSKYAFGNCPKYV  sequence 
                   210       220       230       240       250       260       270       280       290       300
 
    author                     author   
 Kabs/Sand   SS  EEE S B       Kabs/Sand
 chirality  +-+----++------    chirality
     bends   SS      S         bends    
     turns                     turns    
   5-turns                     5-turns  
   3-turns                     3-turns  
  bridge-2                     bridge-2 
  bridge-1       BBB   A       bridge-1 
    sheets       BBB           sheets   
   4-turns                     4-turns  
   summary   SS eEEEeS B       summary  
  sequence  GVKSLKLAVGLRNVPAR  sequence 
                   310