Secondary structure calculation program - copyright by David Keith Smith, 1989
 1bvyF.pdb                                                   
 1BVY  OXIDOREDUCTASE  MOL_ID: 1;  MOL_ID: 1;  
 Sequence length -  152
             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 F 479    ASN N                    0    0  999.9   76.4 -174.9  999.9 999.9 999.9    0  0.0    0  0.0    0  0.0    0  0.0  5 25
    2 F 480    THR T               -    0    0  -78.6  148.0 -175.1 -101.2 999.9 113.5    0  0.0   32 -2.4    0  0.0    4 -0.6  7 34
    3 F 481    PRO P     e         -    0    0  -68.5  105.5  176.2 -179.9  39.0 118.1    0  0.0   50 -1.2    0  0.0    5 -0.7 11 41
    4 F 482    LEU L   E E  Aa     -   50    0 -112.2  105.4  179.3 -169.4   5.6 148.7    2 -0.6   34 -1.9    0  0.0    6 -0.6 14 54
    5 F 483    LEU L   E E  Aab    -   51   34  -93.0  123.7  177.8 -164.7   2.6 140.7   50 -2.1   52 -1.7    3 -0.7    7 -0.6 14 56
    6 F 484    VAL V   E E  Aab    -   52   35 -112.9  120.9 -179.3 -173.6   6.6 158.2   34 -4.1   36 -2.0    4 -0.6    0  0.0 16 61
    7 F 485    LEU L   E E  Aab    -   53   36 -108.9  141.7  177.0 -160.5   5.0 149.0   52 -2.5   54 -2.5    5 -0.6    0  0.0 13 65
    8 F 486    TYR Y   E E  Aab    -   54   37 -126.1  154.0  166.7 -159.9  20.2 156.7   36 -2.1   38 -3.0    0  0.0    0  0.0 16 58
    9 F 487    GLY G   E E  Aa     +   55    0 -118.6  105.9 -176.6  153.2  40.0 166.5   54 -1.8   56 -1.8    0  0.0    0  0.0 17 58
   10 F 488    SER S               +    0    0 -144.9  141.7  172.5  170.5  34.1 178.0    0  0.0    0  0.0    0  0.0    0  0.0 15 48
   11 F 489    ASN N   S S        S+    0    0 -108.6  -45.7  178.6   25.5  95.5  47.1    0  0.0    0  0.0    0  0.0    0  0.0  7 35
   12 F 490    MET M   S S        S-    0    0 -108.1   16.6  170.5 -108.0 109.0  75.1    0  0.0    0  0.0    0  0.0    0  0.0  5 28
   13 F 491    GLY G   S h >     TS+    0    0   86.0   -7.2  177.0  111.4  86.9  70.1    0  0.0   17 -2.8    0  0.0    0  0.0  7 34
   14 F 492    THR T   H H >     TS+    0    0  -61.0  -55.0  175.5   37.1  90.4  10.9    0  0.0   18 -2.0    0  0.0    0  0.0  8 42
   15 F 493    ALA A   H H >     TS+    0    0  -62.9  -38.8  177.6   54.6 116.5  31.3    0  0.0   19 -2.2    0  0.0    0  0.0 14 53
   16 F 494    GLU E   H H >     TS+    0    0  -66.5  -38.4  179.1   45.2 110.0  26.1    0  0.0   20 -1.9    0  0.0    0  0.0 12 45
   17 F 495    GLY G   H H X     TS+    0    0  -71.5  -35.6  177.4   52.4 111.7  27.5   13 -2.8   21 -2.2    0  0.0    0  0.0  8 37
   18 F 496    THR T   H H X     TS+    0    0  -61.1  -44.7  175.6   50.0 110.0  22.2   14 -2.0   22 -2.6    0  0.0    0  0.0  9 54
   19 F 497    ALA A   H H X     TS+    0    0  -57.2  -47.8 -179.0   45.6 112.4  25.3   15 -2.2   23 -2.6    0  0.0    0  0.0 14 54
   20 F 498    ARG R   H H X     TS+    0    0  -71.8  -29.3  175.2   55.0 110.3  34.7   16 -1.9   24 -1.0    0  0.0    0  0.0 10 40
   21 F 499    ASP D   H H X   > TS+    0    0  -66.0  -47.7  177.8   48.6 108.5  17.6   17 -2.2   25 -2.1    0  0.0   24 -0.6  8 41
   22 F 500    LEU L   H H X   3 TS+    0    0  -56.1  -51.6  178.0   51.3 109.5  16.0   18 -2.6   26 -2.5    0  0.0    0  0.0  9 55
   23 F 501    ALA A   H H X   3 TS+    0    0  -58.1  -22.9  178.9   54.2 108.6  38.8   19 -2.6   27 -1.3    0  0.0    0  0.0 14 42
   24 F 502    ASP D   H H X   < TS+    0    0  -79.6  -35.5  178.2   44.2 109.9  30.7   20 -1.0   28 -0.9   21 -0.6    0  0.0  8 29
   25 F 503    ILE I   H H <     TS+    0    0  -78.9  -22.8  177.1   59.1 108.6  38.1   21 -2.1    0  0.0    0  0.0    0  0.0  8 36
   26 F 504    ALA A   H H <   >>TS+    0    0  -65.8  -44.3  179.2   54.6 100.9  18.4   22 -2.5   31 -2.0    0  0.0   29 -1.9 12 40
   27 F 505    MET M   H H <   >5TS+    0    0  -54.8  -34.5  176.0   52.5 106.7  36.9   23 -1.3   30 -0.9    0  0.0    0  0.0 10 25
   28 F 506    SER S   T h <   35TS+    0    0  -75.6  -16.5 -178.6   51.8 107.9  51.8   24 -0.9    0  0.0    0  0.0    0  0.0  7 23
   29 F 507    LYS K   T T     <5TS-    0    0 -112.7   22.2  171.6 -105.3 123.0  84.6   26 -1.9    0  0.0    0  0.0    0  0.0  6 32
   30 F 508    GLY G   T T     <5TS+    0    0   76.2    1.9  179.5  139.7  72.8  68.9   27 -0.9    0  0.0    0  0.0    0  0.0  8 26
   31 F 509    PHE F     t       T -    8    0  -64.4  164.6  178.8 -117.9  40.3 102.7    0  0.0   40 -0.7    0  0.0    0  0.0 12 49
   38 F 516    LEU L   G e     > TS+    0    0  -70.8  -51.7 -169.7   52.9 108.0  15.6    8 -3.0   41 -1.9    0  0.0   40 -0.8 14 59
   39 F 517    ASP D   G G     3 TS+    0    0  -83.6   35.9  177.5   66.8  99.1  85.7   65 -2.5    0  0.0    0  0.0    0  0.0 12 44
   40 F 518    SER S   G G     < TS+    0    0 -123.7  -12.2  172.9   44.5 102.0  66.1   38 -0.8    0  0.0   37 -0.7    0  0.0 10 35
   41 F 519    HIS H   S g     X TS+    0    0 -117.3   24.8  177.6  151.2  79.1  95.9   38 -1.9   43 -1.1    0  0.0   44 -0.9 10 42
   42 F 520    ALA A   T T     3 TS-    0    0  -61.4   96.6 -179.5   -0.4  83.0 118.6    0  0.0    0  0.0    0  0.0    0  0.0 12 42
   43 F 521    GLY G   T T     3 TS+    0    0  108.3  -23.0 -177.7   91.9 116.4  86.7   41 -1.1    0  0.0    0  0.0    0  0.0  7 41
   44 F 522    ASN N     t     < T +    0    0 -101.0   42.2  173.4  157.2  50.9 107.6   41 -0.9    0  0.0    0  0.0    0  0.0  5 42
   45 F 523    LEU L               -    0    0  -66.2  137.8 -175.5  -98.9  53.6 118.4    0  0.0    0  0.0    0  0.0    0  0.0  9 55
   46 F 524    PRO P               -    0    0  -67.3  122.1  178.3 -158.6  24.3 115.1    0  0.0    0  0.0    0  0.0    0  0.0 10 43
   47 F 525    ARG R   S S        S+    0    0  -83.8   18.4  178.3   50.5  78.3  79.8    0  0.0    0  0.0    0  0.0    0  0.0  9 32
   48 F 526    GLU E   S S        S+    0    0 -162.8  142.8 -172.1    2.7 106.1 163.6    0  0.0   50 -0.8    0  0.0    0  0.0  8 35
   49 F 527    GLY G   S S        S-    0    0   87.4 -107.2 -177.7  -68.7  99.6 145.0    0  0.0    0  0.0    0  0.0    0  0.0 10 46
   50 F 528    ALA A   E E  Aa     -    4    0 -173.8  158.2 -179.1 -133.2  32.0 162.6    3 -1.2    5 -2.1   48 -0.8    0  0.0 13 59
   51 F 529    VAL V   E E  Aac    -    5   86 -132.8  111.8  174.7 -155.2  11.6 160.9   85 -1.4   87 -1.4    0  0.0    0  0.0 14 68
   52 F 530    LEU L   E E  Aac    -    6   87  -82.4  130.5 -176.6 -158.0  12.3 133.9    5 -1.7    7 -2.5    0  0.0   54 -0.6 12 77
   53 F 531    ILE I   E E  Aac    -    7   88 -122.1  110.5 -178.1 -178.9  11.6 159.3   87 -2.2   89 -3.2    0  0.0   55 -0.5 13 84
   54 F 532    VAL V   E E  Aac    +    8   89 -110.1  115.6 -174.4  155.5  18.7 159.2    7 -2.5    9 -1.8   52 -0.6    0  0.0 17 75
   55 F 533    THR T   E E  Aac    -    9   90 -151.4  148.6  173.5 -147.6  30.9 176.5   89 -2.0   91 -2.7   53 -0.5    0  0.0 15 70
   56 F 534    ALA A     e         -    0    0  -93.9 -177.9  174.6 -129.6  20.4 108.5    9 -1.8    0  0.0    0  0.0    0  0.0 15 61
   57 F 535    SER S               -    0    0 -133.7  144.2  174.2 -156.7   7.5 170.2    0  0.0    0  0.0    0  0.0    0  0.0 16 52
   58 F 536    TYR Y   B B   A > TS-   61    0 -126.9  106.7 -176.2  -37.2  79.0 154.9   61 -3.3   61 -2.0    0  0.0    0  0.0  7 41
   59 F 537    ASN N   T T     3 TS-    0    0   48.4   37.8  177.7  -44.6 125.9  32.3    0  0.0    0  0.0    0  0.0    0  0.0  6 31
   60 F 538    GLY G   T T     3 TS+    0    0   91.6    1.6 -175.1  104.8 123.0  63.0    0  0.0    0  0.0    0  0.0    0  0.0 10 34
   61 F 539    HIS H   B B   A < TS-   58    0 -120.1  159.6 -177.8  -98.5  74.4 140.7   58 -2.0   58 -3.3    0  0.0    0  0.0  9 39
   62 F 540    PRO P               -    0    0  -74.1  149.8  173.5 -100.3  45.3 112.5    0  0.0    0  0.0    0  0.0    0  0.0 13 51
   63 F 541    PRO P     t >   > T -    0    0  -60.8  161.4 -176.0  -95.3  43.4 102.1    0  0.0   66 -2.6    0  0.0   67 -1.0 13 44
   64 F 542    ASP D   T T 4   3 TS+    0    0  -54.1  -32.3  179.6   49.1 126.0  37.0    0  0.0    0  0.0    0  0.0    0  0.0  8 34
   65 F 543    ASN N   T T 4   3 TS+    0    0  -94.2   19.8 -178.5   47.9 113.0  77.9    0  0.0   39 -2.5    0  0.0    0  0.0 14 39
   66 F 544    ALA A   T h >   < TS+    0    0 -130.3   -9.7 -175.2   91.3  80.4  59.3   63 -2.6   70 -2.0    0  0.0    0  0.0 15 54
   67 F 545    LYS K   H H X     TS+    0    0  -58.6  -44.2  179.5   51.5  86.9  33.6   63 -1.0   71 -2.5    0  0.0    0  0.0 11 41
   68 F 546    GLN Q   H H >     TS+    0    0  -63.2  -34.7 -179.3   51.8 110.2  35.2    0  0.0   72 -1.9    0  0.0    0  0.0 11 34
   69 F 547    PHE F   H H >     TS+    0    0  -65.9  -57.8 -177.4   42.0 112.5  11.4    0  0.0   73 -2.2    0  0.0    0  0.0 13 49
   70 F 548    VAL V   H H X     TS+    0    0  -58.8  -47.1  179.1   50.7 114.4  27.2   66 -2.0   74 -4.2    0  0.0    0  0.0 12 53
   71 F 549    ASP D   H H X    >TS+    0    0  -57.4  -50.1  173.8   48.2 111.8  15.0   67 -2.5   75 -1.1    0  0.0   76 -0.6  9 34
   72 F 550    TRP W   H H <    5TS+    0    0  -51.2  -40.3 -178.1   45.5 116.6  27.2   68 -1.9    0  0.0    0  0.0    0  0.0 11 32
   73 F 551    LEU L   H H <    5TS+    0    0  -72.5  -44.2 -177.1   48.6 113.4  24.2   69 -2.2    0  0.0    0  0.0    0  0.0 12 43
   74 F 552    ASP D   H H <    5TS+    0    0  -61.5  -81.1  178.6   14.9 127.8   4.9   70 -4.2    0  0.0    0  0.0    0  0.0  8 35
   75 F 553    GLN Q   T h <    5TS+    0    0  -58.8  -72.1 -178.5   68.3 118.4   7.2   71 -1.1    0  0.0    0  0.0    0  0.0  6 22
   76 F 554    ALA A     t       T +    0    0 -104.5   30.3  179.2  146.0  55.3  96.7  114 -1.6   84 -0.8    0  0.0    0  0.0 11 41
   82 F 560    LYS K   T T     3 T +    0    0  -74.7  134.8 -179.1   24.9  63.6 122.7    0  0.0    0  0.0    0  0.0    0  0.0  9 33
   83 F 561    GLY G   T T     3 TS+    0    0  104.2  -29.8 -177.2  122.1  88.9  97.2    0  0.0   85 -0.8    0  0.0    0  0.0 10 30
   84 F 562    VAL V     t     < T -    0    0  -70.0  100.4  177.3 -166.1  45.1 122.1   81 -0.8  117 -1.3    0  0.0   86 -0.8 14 47
   85 F 563    ARG R     e         +    0    0  -92.7  108.7 -173.9  154.5  28.3 144.7   83 -0.8   51 -1.4    0  0.0    0  0.0 13 48
   86 F 564    TYR Y   E E  Ac     -   51    0 -122.6 -169.4  178.6 -156.5  34.1 116.7   84 -0.8  119 -1.8    0  0.0  120 -0.8 13 67
   87 F 565    SER S   E E  Acd    -   52  120 -168.6  149.0 -175.1 -136.3  18.1 154.8   51 -1.4   53 -2.2    0  0.0    0  0.0 14 65
   88 F 566    VAL V   E E  Ac*    -   53    0 -126.4  131.2  172.8 -166.4   9.4 165.6  120 -0.6  123 -2.1    0  0.0    0  0.0 14 67
   89 F 567    PHE F   E E  Acd    -   54  123 -114.9  128.1 -176.2 -146.0  18.2 164.9   53 -3.2   55 -2.0    0  0.0    0  0.0 15 68
   90 F 568    GLY G   E E  Acd    -   55  124 -100.5  125.9  170.5 -165.6  11.4 142.0  123 -4.6  125 -1.9    0  0.0   92 -0.6 14 68
   91 F 569    CYS C   E E  A d    +    0  125 -105.4  114.3 -177.7  138.6  35.7 161.0   55 -2.7    0  0.0    0  0.0    0  0.0 16 67
   92 F 570    GLY G   E E  A d    -    0  126 -145.6  175.8  177.1 -126.1  45.6 150.3  125 -2.4  127 -2.3   90 -0.6    0  0.0 12 53
   93 F 571    ASP D     t     > T -    0    0 -134.5  126.8 -179.1 -145.1  11.6 173.0    0  0.0   96 -2.0    0  0.0    0  0.0 11 40
   94 F 572    LYS K   T T     3 TS+    0    0  -61.2  -21.2  177.5   79.6  96.1  43.4    0  0.0    0  0.0    0  0.0    0  0.0  9 27
   95 F 573    ASN N   T T     3 TS+    0    0  -61.9  -10.3  175.8   75.7  78.7  57.6    0  0.0   97 -0.5    0  0.0    0  0.0  5 23
   96 F 574    TRP W   S g >   X TS-    0    0 -111.0   72.3  174.8 -166.5  76.7 136.2   93 -2.0   99 -0.8    0  0.0  100 -0.6  8 26
   97 F 575    ALA A   G G 4   > TS+    0    0   -6.6  -94.2 -175.9   16.8  71.7  49.0   95 -0.5  100 -0.7    0  0.0    0  0.0  6 19
   98 F 576    THR T   G G 4   3 TS+    0    0  -80.6   -9.3 -177.1   57.0 124.5  67.2    0  0.0    0  0.0    0  0.0    0  0.0  4 20
   99 F 577    THR T   G G 4   X T +    0    0 -110.0    6.1 -175.6  149.7  68.7  66.5   96 -0.8  102 -2.5    0  0.0    0  0.0  9 29
  100 F 578    TYR Y   T g <   < TS-    0    0  -50.2  117.6  177.4  -21.2  82.8  98.3   97 -0.7    0  0.0   96 -0.6    0  0.0 11 35
  101 F 579    GLN Q   T h >   3 TS+    0    0   56.0   26.5 -176.8  147.8  89.4  47.2    0  0.0  105 -2.4    0  0.0    0  0.0 14 47
  102 F 580    LYS K   H H >   < T +    0    0  -59.6  -37.7 -177.7   47.7  66.8  29.9   99 -2.5  106 -2.5    0  0.0    0  0.0 10 44
  103 F 581    VAL V   H H >     TS+    0    0  -75.0  -51.2  175.7   44.5 113.0   9.7    0  0.0  107 -2.6    0  0.0    0  0.0 12 58
  104 F 582    PRO P   H H >     TS+    0    0  -52.6  -42.1  179.0   49.5 116.9  23.8    0  0.0  108 -2.7    0  0.0    0  0.0 15 66
  105 F 583    ALA A   H H X     TS+    0    0  -61.6  -49.5  177.7   50.1 110.0  18.7  101 -2.4  109 -2.5    0  0.0    0  0.0  9 50
  106 F 584    PHE F   H H X     TS+    0    0  -51.2  -55.8 -178.2   43.5 114.6  18.3  102 -2.5  110 -2.7    0  0.0    0  0.0  8 54
  107 F 585    ILE I   H H X     TS+    0    0  -58.1  -46.5 -178.0   51.1 114.3  26.4  103 -2.6  111 -2.5    0  0.0    0  0.0 11 66
  108 F 586    ASP D   H H X     TS+    0    0  -57.4  -56.8 -177.6   33.2 118.9  19.3  104 -2.7  112 -0.8    0  0.0    0  0.0 11 55
  109 F 587    GLU E   H H X     TS+    0    0  -76.3  -30.1  178.4   54.2 118.1  37.7  105 -2.5  113 -1.8    0  0.0    0  0.0  8 37
  110 F 588    THR T   H H <     TS+    0    0  -69.6  -39.6 -179.9   54.8 104.6  22.4  106 -2.7    0  0.0    0  0.0    0  0.0 10 42
  111 F 589    LEU L   H H <   > TS+    0    0  -58.7  -29.2 -176.9   48.6 110.2  36.0  107 -2.5  114 -0.5    0  0.0    0  0.0 11 54
  112 F 590    ALA A   H H X   > TS+    0    0  -85.6  -32.1  174.8   61.1  99.8  34.3  108 -0.8  115 -1.5    0  0.0  116 -0.8 10 37
  113 F 591    ALA A   T h <   3 TS+    0    0  -82.7   37.7 -177.4   50.5 108.1  93.4  109 -1.8    0  0.0    0  0.0    0  0.0  7 28
  114 F 592    LYS K   T T 4   < TS-    0    0 -155.4    6.1  176.2  -61.8 139.1  81.9  111 -0.5   81 -1.6    0  0.0    0  0.0 10 31
  115 F 593    GLY G   T T 4   < T -    0    0  106.1   68.5 -169.6 -156.8  66.1  32.2  112 -1.5    0  0.0    0  0.0    0  0.0 10 31
  116 F 594    ALA A     t <     T -    0    0  -89.5  141.9  167.3 -173.2  30.2 121.5  112 -0.8    0  0.0    0  0.0    0  0.0 13 38
  117 F 595    GLU E               +    0    0 -111.1   44.7  176.8  176.0  25.8 111.9   84 -1.3  119 -1.0    0  0.0    0  0.0 10 38
  118 F 596    ASN N               +    0    0  -53.6   94.5 -178.5  174.4   4.8 112.5    0  0.0    0  0.0    0  0.0    0  0.0  9 48
  119 F 597    ILE I               +    0    0  -80.4  -19.4 -176.7   28.9  66.2  51.7   86 -1.8    0  0.0  117 -1.0    0  0.0 10 45
  120 F 598    ALA A   E E  Ad    S-   87    0 -150.0  125.5 -174.0 -111.2  88.1 163.5   86 -0.8   88 -0.6    0  0.0    0  0.0 11 46
  121 F 599    ASP D   E E  A*     -    0    0  -61.2  145.5  179.9  -90.2  48.2 103.9    0  0.0    0  0.0    0  0.0    0  0.0  8 44
  122 F 600    ARG R   E E  A*     -    0    0  -47.1  159.2  176.5 -145.3  39.5  87.9    0  0.0    0  0.0    0  0.0    0  0.0 10 51
  123 F 601    GLY G   E E  Ad     -   89    0 -133.3  144.8 -174.4 -151.6   7.5 167.6   88 -2.1   90 -4.6    0  0.0    0  0.0 10 53
  124 F 602    GLU E   E E  Ad     -   90    0 -121.8  146.6  172.6 -161.0   5.0 152.8    0  0.0    0  0.0    0  0.0    0  0.0 13 51
  125 F 603    ALA A   E E  Ad     -   91    0 -126.6  124.3  174.0 -158.5   5.4 169.7   90 -1.9   92 -2.4    0  0.0  127 -0.7 14 47
  126 F 604    ASP D   E E  Ad > T -   92    0  -99.7  110.1  179.9 -165.1   2.0 153.9    0  0.0  129 -1.9    0  0.0    0  0.0 11 41
  127 F 605    ALA A   T e     3 TS+    0    0  -61.1  -26.5 -179.6   64.9  88.7  42.1   92 -2.3    0  0.0  125 -0.7    0  0.0 10 34
  128 F 606    SER S   T T     3 TS+    0    0  -80.0    1.7  176.5    2.0 121.6  68.3    0  0.0    0  0.0    0  0.0    0  0.0  8 23
  129 F 607    ASP D   S t     < TS-    0    0 -145.5 -105.8 -169.0  -10.3 125.1  93.6  126 -1.9  131 -0.6    0  0.0    0  0.0  5 20
  130 F 608    ASP D     h >     T +    0    0 -116.6   66.5 -177.6  158.2  56.8 125.0    0  0.0  134 -1.8    0  0.0    0  0.0  9 22
  131 F 609    PHE F   H H >     TS+    0    0  -62.2  -29.9 -177.3   50.3  77.0  35.8  129 -0.6  135 -1.7    0  0.0    0  0.0 11 32
  132 F 610    GLU E   H H >     TS+    0    0  -83.3  -24.7  173.7   56.4 105.9  37.2    0  0.0  136 -2.0    0  0.0    0  0.0  7 29
  133 F 611    GLY G   H H >     TS+    0    0  -60.4  -64.4 -179.3   37.3 114.4   4.2    0  0.0  137 -3.0    0  0.0    0  0.0  7 24
  134 F 612    THR T   H H X     TS+    0    0  -57.0  -39.4 -179.0   53.6 115.8  31.4  130 -1.8  138 -2.6    0  0.0    0  0.0 11 32
  135 F 613    TYR Y   H H X     TS+    0    0  -63.6  -38.5  177.5   46.6 112.2  20.9  131 -1.7  139 -1.7    0  0.0    0  0.0 12 47
  136 F 614    GLU E   H H X     TS+    0    0  -66.5  -46.4  177.2   49.8 111.6  21.6  132 -2.0  140 -2.2    0  0.0    0  0.0  8 33
  137 F 615    GLU E   H H X     TS+    0    0  -55.4  -58.2 -178.1   45.5 113.2  11.3  133 -3.0  141 -2.1    0  0.0    0  0.0  8 29
  138 F 616    TRP W   H H X     TS+    0    0  -53.6  -38.5 -178.3   53.4 112.5  34.9  134 -2.6  142 -1.6    0  0.0    0  0.0 12 41
  139 F 617    ARG R   H H X     TS+    0    0  -64.7  -57.1 -178.6   42.3 110.1  18.1  135 -1.7  143 -2.8    0  0.0    0  0.0  8 47
  140 F 618    GLU E   H H X     TS+    0    0  -60.2  -51.0  174.8   45.3 118.9  14.3  136 -2.2  144 -1.6    0  0.0    0  0.0  8 33
  141 F 619    HIS H   H H X     TS+    0    0  -54.0  -38.4 -175.7   56.0 113.2  26.7  137 -2.1  145 -2.1    0  0.0    0  0.0  9 31
  142 F 620    MET M   H H X     TS+    0    0  -63.7  -54.5 -176.6   50.0 101.9  18.5  138 -1.6  146 -2.1    0  0.0    0  0.0 10 50
  143 F 621    TRP W   H H X     TS+    0    0  -53.4  -42.1 -179.4   48.4 113.8  27.7  139 -2.8  147 -1.8    0  0.0    0  0.0  8 51
  144 F 622    SER S   H H X     TS+    0    0  -66.3  -44.9  178.8   55.7 105.8  26.9  140 -1.6  148 -1.9    0  0.0    0  0.0  8 32
  145 F 623    ASP D   H H X     TS+    0    0  -53.8  -46.7  179.8   37.4 116.7  21.8  141 -2.1  149 -1.4    0  0.0    0  0.0 10 33
  146 F 624    VAL V   H H X     TS+    0    0  -75.7  -28.1  177.5   60.9 113.6  41.0  142 -2.1  150 -2.1    0  0.0    0  0.0 11 44
  147 F 625    ALA A   H H <     TS+    0    0  -56.5  -76.9  173.7   36.1 110.2   5.1  143 -1.8    0  0.0    0  0.0    0  0.0  9 35
  148 F 626    ALA A   H H <     TS+    0    0  -41.4  -44.4 -178.7   63.2 113.2  33.1  144 -1.9    0  0.0    0  0.0    0  0.0  8 20
  149 F 627    TYR Y   H H <     TS-    0    0  -51.3  -59.3 -177.1   -7.9 127.0  20.0  145 -1.4    0  0.0    0  0.0    0  0.0  7 29
  150 F 628    PHE F   S h <     TS-    0    0 -100.8 -100.9 -170.7  -15.8 115.8  46.1  146 -2.1    0  0.0    0  0.0    0  0.0  6 30
  151 F 629    ASN N                    0    0 -114.3  179.7 -171.6  999.9 999.9 118.7    0  0.0    0  0.0    0  0.0    0  0.0  6 23
  152 F 630    LEU L                    0    0 -148.3  999.9  999.9  999.9 999.9  73.1    0  0.0    0  0.0    0  0.0    0  0.0  4 20
 
 1bvyF.pdb                                                   
 1BVY  OXIDOREDUCTASE  MOL_ID: 1;  MOL_ID: 1;  
 
    author                                                                                                        author   
 Kabs/Sand     EEEEEE SSSHHHHHHHHHHHHHHTTT   EEEEGGGSTT   SSSEEEEEE  BTTB  TTTHHHHHHHHT  SS  TT  EEEEEEE TTSGGGT  Kabs/Sand
 chirality   -------+++-++++++++++++++++-+----+--++++-++--++-----+-----+---+++++++++++++++--+++-+-----+--++-+++-  chirality
     bends            SSSSSSSSSSSSSSSSSSSS       SSSSSS   SSS        SSSS  SSSSSSSSSSSS  SS   S          SSSSS S  bends    
     turns              TTTTTTTTTTTTTTTTTTT     TTTTTTTT             TTTT TTTTTTTTTTTTTT    TTTT        TTTTTTTT  turns    
   5-turns                           >5555<                                       >5555<                          5-turns  
   3-turns                      >33< >>3<<      >>333< >33<              >33<        >33X>3X<  3-turns  
  bridge-2      bbbb                                          ccccc                               d*dddd          bridge-2 
  bridge-1     aaaaaa                        bbbb            aaaaaa  A  A                        ccccc            bridge-1 
    sheets     AAAAAA                        AAAA            AAAAAA                              AAAAAAA          sheets   
   4-turns              >>>>XXXXXXXX<<<<                                  >44>X>>XX<<<<                    >444<  4-turns  
   summary    eEEEEEE SShHHHHHHHHHHHHHHhTTt  EEEEeGGgTTt  SSSEEEEEEe BTTB tTThHHHHHHHHht SS tTTteEEEEEEEtTTgGGGg  summary  
  sequence  NTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTY  sequence 
                    10        20        30        40        50        60        70        80        90       100
 
    author                                                        author   
 Kabs/Sand  THHHHHHHHHHHTTT    EEEEEEETTS HHHHHHHHHHHHHHHHHHHS    Kabs/Sand
 chirality  +++++++++++++---+++-------++-+++++++++++++++++++--    chirality
     bends  S SSSSSSSSSSSS     S      SSS SSSSSSSSSSSSSSSSSSSS    bends    
     turns  TTTTTTTTTTTTTTTT         TTTTTTTTTTTTTTTTTTTTTTTTT    turns    
   5-turns                                                        5-turns  
   3-turns  3<        >>3<<          >33<                         3-turns  
  bridge-2                                                        bridge-2 
  bridge-1                     d**dddd                            bridge-1 
    sheets                     AAAAAAA                            sheets   
   4-turns  >>>>XXXXX<>>>XXXXXXXXXXXXX<<<<    4-turns  
   summary  hHHHHHHHHHHHhTTt   EEEEEEEeTthHHHHHHHHHHHHHHHHHHHh    summary  
  sequence  QKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNL  sequence 
                   110       120       130       140       150