Secondary structure calculation program - copyright by David Keith Smith, 1989
1ao8-.pdb
1AO8 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 162
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 1 THR T e 0 0 999.9 125.7 -180.0 999.9 999.9 999.9 0 0.0 112 -0.6 0 0.0 111 -0.6 10 49
2 2 ALA A E E Aab - 112 95 -154.7 114.4 -180.0 -141.2 999.9 148.6 94 -1.3 96 -2.9 0 0.0 0 0.0 12 46
3 3 PHE F E E Aab + 113 96 -74.4 148.7 -179.9 174.8 24.2 116.7 112 -1.9 114 -2.1 0 0.0 0 0.0 13 54
4 4 LEU L E E Aa + 114 0 -158.6 113.0 179.9 132.9 13.7 144.3 96 -1.7 0 0.0 0 0.0 0 0.0 10 60
5 5 TRP W E E Aa - 115 0 -154.9 165.6 -180.0 -126.8 40.9 167.9 114 -1.6 116 -1.5 0 0.0 0 0.0 10 66
6 6 ALA A E E Aa + 116 0 -122.9 132.6 179.9 162.7 31.7 165.6 0 0.0 0 0.0 0 0.0 0 0.0 9 62
7 7 GLN Q E E Aa - 117 0 -138.0 174.7 179.9 -129.2 25.4 148.3 116 -1.6 118 -1.5 0 0.0 0 0.0 14 54
8 8 ASP D t > T - 0 0 -117.3 -175.4 -179.7 -78.4 47.4 123.6 12 -0.9 11 -1.3 0 0.0 0 0.0 14 42
9 9 ARG R T T 3 TS+ 0 0 -57.8 -20.8 -179.7 54.1 132.4 40.8 0 0.0 0 0.0 0 0.0 0 0.0 10 32
10 10 ASP D T T 3 TS- 0 0 -86.4 -22.7 -179.8 -117.9 113.8 42.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
11 11 GLY G e < T + 0 0 104.8 -13.6 -179.8 144.5 63.7 75.5 8 -1.3 128 -0.9 0 0.0 0 0.0 8 35
12 12 LEU L E E BC - 127 0 -57.5 147.7 -179.8 -175.7 27.0 103.4 0 0.0 8 -0.9 0 0.0 0 0.0 15 37
13 13 ILE I E E B* - 0 0 -135.7 27.8 179.8 -25.9 61.1 88.2 126 -2.1 0 0.0 0 0.0 0 0.0 12 50
14 14 GLY G E E BC - 126 0 150.3 179.9 -179.9 -120.1 57.0 153.2 126 -0.6 126 -0.7 0 0.0 0 0.0 13 47
15 15 LYS K B B A > TS- 18 0 -158.7 121.7 -180.0 -12.5 83.8 151.3 18 -2.6 18 -1.0 0 0.0 0 0.0 12 32
16 16 ASP D T T 3 TS- 0 0 57.7 27.9 179.9 -59.5 126.1 35.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
17 17 GLY G T T 3 TS+ 0 0 94.4 -44.1 179.9 81.7 129.1 101.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
18 18 HIS H B B A < TS- 15 0 -91.5 161.4 -180.0 -96.5 92.1 122.6 15 -1.0 15 -2.6 0 0.0 0 0.0 7 37
19 19 LEU L - 0 0 -77.8 147.0 179.9 -144.9 20.2 121.3 0 0.0 0 0.0 0 0.0 0 0.0 9 43
20 20 PRO P S S S+ 0 0 -78.5 -37.9 -179.9 38.5 84.3 34.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
21 21 TRP W S S S- 0 0 -103.7 -173.7 179.9 -126.1 80.5 112.2 0 0.0 0 0.0 0 0.0 0 0.0 5 41
22 22 HIS H + 0 0 -140.1 102.0 -179.8 171.0 26.2 147.7 0 0.0 0 0.0 0 0.0 0 0.0 5 40
23 23 LEU L h > > T + 0 0 -113.9 78.8 -180.0 179.0 3.8 132.9 0 0.0 26 -1.6 0 0.0 27 -1.2 7 39
24 24 PRO P H H > 3 TS+ 0 0 -46.7 -34.4 180.0 63.4 81.0 37.8 0 0.0 28 -1.1 0 0.0 0 0.0 6 28
25 25 ASP D H H > 3 TS+ 0 0 -62.5 -40.2 -180.0 50.6 100.3 24.3 0 0.0 29 -0.9 0 0.0 0 0.0 7 34
26 26 ASP D H H > < TS+ 0 0 -67.6 -29.8 -180.0 62.0 102.2 33.1 23 -1.6 30 -1.7 0 0.0 0 0.0 9 42
27 27 LEU L H H X TS+ 0 0 -65.2 -31.2 -180.0 56.2 98.6 31.7 23 -1.2 31 -1.6 0 0.0 0 0.0 8 37
28 28 HIS H H H X TS+ 0 0 -70.7 -28.7 -179.9 48.5 107.5 34.5 24 -1.1 32 -0.9 0 0.0 0 0.0 8 23
29 29 TYR Y H H X TS+ 0 0 -80.2 -30.9 180.0 56.5 106.4 34.3 25 -0.9 33 -1.5 0 0.0 0 0.0 8 36
30 30 PHE F H H < TS+ 0 0 -66.8 -42.2 -179.9 52.1 104.4 22.6 26 -1.7 0 0.0 0 0.0 0 0.0 8 46
31 31 ARG R H H X > TS+ 0 0 -63.2 -33.1 -179.7 47.7 111.5 30.4 27 -1.6 35 -1.8 0 0.0 34 -0.8 8 34
32 32 ALA A H H < 3 TS+ 0 0 -78.8 -26.4 -179.7 52.0 110.4 37.6 28 -0.9 0 0.0 0 0.0 0 0.0 7 30
33 33 GLN Q T h < 3 TS+ 0 0 -98.6 32.9 179.9 31.3 120.9 91.7 29 -1.5 0 0.0 0 0.0 0 0.0 8 44
34 34 THR T T T 4 X TS+ 0 0 -150.3 -48.3 -179.7 93.3 88.5 66.8 31 -0.8 37 -2.0 0 0.0 0 0.0 12 39
35 35 VAL V T T < 3 TS+ 0 0 -59.5 125.2 -179.9 16.9 101.6 112.0 31 -1.8 0 0.0 0 0.0 0 0.0 9 31
36 36 GLY G T T 3 TS+ 0 0 98.7 -24.4 -179.9 71.4 121.5 84.7 56 -1.3 0 0.0 0 0.0 0 0.0 8 26
37 37 LYS K S e < TS- 0 0 -112.4 -173.7 -180.0 -85.9 94.7 118.8 34 -2.0 58 -1.0 0 0.0 39 -0.5 13 38
38 38 ILE I E E Ade - 58 94 -99.0 125.9 -180.0 -147.7 37.0 146.9 93 -1.7 95 -1.9 0 0.0 0 0.0 15 50
39 39 MET M E E Ade - 59 95 -93.2 135.6 -180.0 -159.1 7.3 138.8 58 -1.7 60 -1.3 37 -0.5 41 -0.6 13 56
40 40 VAL V E E Ade + 60 96 -117.5 113.1 -180.0 158.2 22.4 158.3 95 -1.7 97 -2.0 0 0.0 98 -1.0 13 67
41 41 VAL V E E Ade - 61 98 -131.7 154.3 179.9 -133.0 30.2 160.6 60 -2.4 62 -1.6 39 -0.6 0 0.0 15 62
42 42 GLY G h > T - 0 0 -88.3 -160.8 180.0 -89.4 40.6 90.5 98 -0.9 46 -1.3 0 0.0 0 0.0 13 53
43 43 ARG R H H > TS+ 0 0 -82.1 -37.8 180.0 50.4 126.4 29.3 0 0.0 47 -1.9 0 0.0 0 0.0 9 44
44 44 ARG R H H > TS+ 0 0 -69.2 -30.5 -179.9 42.0 116.8 32.8 0 0.0 48 -0.6 0 0.0 0 0.0 8 39
45 45 THR T H H > TS+ 0 0 -85.4 -30.6 180.0 58.4 109.4 35.9 0 0.0 49 -0.8 0 0.0 0 0.0 11 45
46 46 TYR Y H H < > TS+ 0 0 -64.1 -48.0 179.9 40.2 111.5 17.3 42 -1.3 49 -0.8 0 0.0 0 0.0 10 47
47 47 GLU E H H < 3 TS+ 0 0 -72.5 -22.7 -179.8 72.5 102.7 40.1 43 -1.9 0 0.0 0 0.0 0 0.0 8 35
48 48 SER S H H < 3 TS+ 0 0 -62.5 -27.2 -180.0 90.3 81.2 34.9 44 -0.6 0 0.0 0 0.0 0 0.0 8 31
49 49 PHE F S h < < TS- 0 0 -70.8 147.7 179.8 -147.2 71.0 115.4 45 -0.8 0 0.0 46 -0.8 0 0.0 7 35
50 50 PRO P S S S+ 0 0 -79.3 -56.0 -180.0 41.7 87.1 20.5 0 0.0 52 -0.7 0 0.0 0 0.0 5 17
51 51 LYS K S S S- 0 0 -99.4 113.8 179.9 -133.8 92.9 147.3 0 0.0 0 0.0 0 0.0 0 0.0 5 19
52 52 ARG R S S S+ 0 0 -123.0 144.0 0.0 31.0 76.1 161.4 50 -0.7 0 0.0 0 0.0 0 0.0 7 29
53 53 PRO P S S S- 0 0 -76.6 171.0 -180.0 -127.0 87.7 51.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
54 54 LEU L - 0 0 -89.8 116.9 -179.9 -155.3 26.2 141.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
55 55 PRO P + 0 0 -79.1 177.4 179.9 57.6 68.9 97.8 0 0.0 0 0.0 0 0.0 0 0.0 5 30
56 56 GLU E S S S+ 0 0 80.5 -11.3 179.4 34.4 113.2 73.3 0 0.0 36 -1.3 0 0.0 0 0.0 7 25
57 57 ARG R S S S- 0 0 -163.9 162.6 -179.2 -81.4 96.1 171.6 0 0.0 0 0.0 0 0.0 0 0.0 11 36
58 58 THR T E E Ad - 38 0 -70.6 148.1 179.8 -135.5 40.2 113.3 37 -1.0 39 -1.7 0 0.0 60 -0.5 12 46
59 59 ASN N E E Ad - 39 0 -108.3 126.3 179.9 -173.8 18.9 155.1 0 0.0 74 -1.4 0 0.0 61 -0.6 13 53
60 60 VAL V E E Adf - 40 74 -122.2 103.8 180.0 -173.5 3.1 152.8 39 -1.3 41 -2.4 58 -0.5 0 0.0 13 62
61 61 VAL V E E Adf - 41 75 -97.8 131.3 180.0 -173.9 1.3 144.4 74 -2.1 76 -1.9 59 -0.6 0 0.0 13 56
62 62 LEU L E E A f + 0 76 -127.9 118.7 180.0 140.0 19.6 164.3 41 -1.6 0 0.0 0 0.0 0 0.0 13 49
63 63 THR T e - 0 0 -144.4 178.6 180.0 -107.8 58.9 149.7 76 -1.0 0 0.0 0 0.0 0 0.0 8 40
64 64 HIS H S S S+ 0 0 -101.8 30.5 180.0 101.0 85.2 90.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
65 65 GLN Q - 0 0 -115.0 150.1 -180.0 -164.0 52.6 149.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
66 66 GLU E S S S+ 0 0 -121.5 34.6 180.0 60.7 82.3 95.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
67 67 ASP D + 0 0 -148.2 31.6 -180.0 127.5 69.7 89.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15
68 68 TYR Y - 0 0 -89.4 162.8 -179.9 -159.7 37.9 119.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
69 69 GLN Q + 0 0 -144.0 143.9 180.0 161.1 18.3 179.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
70 70 ALA A - 0 0 -165.5 110.5 -180.0 -144.7 28.2 136.9 0 0.0 72 -1.1 0 0.0 0 0.0 8 29
71 71 GLN Q S S S+ 0 0 -81.0 102.5 180.0 10.4 95.3 130.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
72 72 GLY G S S S+ 0 0 121.8 -34.7 -179.9 88.4 111.9 95.0 70 -1.1 0 0.0 0 0.0 0 0.0 6 22
73 73 ALA A S S S- 0 0 -93.3 160.4 -180.0 -114.9 79.1 124.5 0 0.0 0 0.0 0 0.0 0 0.0 11 34
74 74 VAL V E E Af - 60 0 -97.8 130.1 179.9 -154.0 21.8 144.9 59 -1.4 61 -2.1 0 0.0 76 -0.7 9 40
75 75 VAL V E E Af + 61 0 -105.6 113.9 -179.9 160.1 26.0 152.0 0 0.0 0 0.0 0 0.0 0 0.0 10 40
76 76 VAL V E E Af - 62 0 -129.5 160.0 -180.0 -174.3 27.0 154.1 61 -1.9 63 -1.0 74 -0.7 0 0.0 10 37
77 77 HIS H + 0 0 -144.3 36.0 -180.0 78.0 61.8 93.1 0 0.0 0 0.0 0 0.0 0 0.0 10 32
78 78 ASP D h > T - 0 0 -149.2 134.5 -180.0 -142.4 64.7 169.1 0 0.0 82 -1.8 0 0.0 0 0.0 7 29
79 79 VAL V H H > TS+ 0 0 -62.7 -41.7 180.0 51.4 107.9 22.7 0 0.0 83 -1.7 0 0.0 0 0.0 7 36
80 80 ALA A H H > TS+ 0 0 -64.5 -32.3 180.0 58.0 105.2 30.7 0 0.0 84 -2.9 0 0.0 0 0.0 6 26
81 81 ALA A H H > TS+ 0 0 -63.6 -47.8 179.9 45.4 107.0 17.5 0 0.0 85 -2.1 0 0.0 0 0.0 9 28
82 82 VAL V H H X TS+ 0 0 -64.7 -31.8 -179.9 50.5 114.6 31.1 78 -1.8 86 -1.5 0 0.0 0 0.0 10 43
83 83 PHE F H H X TS+ 0 0 -72.4 -45.3 180.0 48.5 109.5 20.4 79 -1.7 87 -2.9 0 0.0 0 0.0 8 40
84 84 ALA A H H X TS+ 0 0 -62.7 -36.1 179.9 51.6 111.4 27.4 80 -2.9 88 -1.7 0 0.0 0 0.0 8 26
85 85 TYR Y H H X TS+ 0 0 -68.7 -36.6 180.0 44.3 113.2 27.3 81 -2.1 89 -0.6 0 0.0 0 0.0 8 33
86 86 ALA A H H < > TS+ 0 0 -75.3 -37.8 179.9 53.5 110.9 27.4 82 -1.5 89 -0.7 0 0.0 0 0.0 12 38
87 87 LYS K H H < 3 TS+ 0 0 -65.1 -34.0 179.9 62.0 100.4 29.2 83 -2.9 0 0.0 0 0.0 0 0.0 7 23
88 88 GLN Q H H < 3 TS+ 0 0 -62.2 -27.3 180.0 60.7 100.3 35.0 84 -1.7 0 0.0 0 0.0 0 0.0 6 19
89 89 HIS H h < X T + 0 0 -107.1 104.1 -179.9 175.3 59.6 150.0 86 -0.7 92 -0.8 85 -0.6 0 0.0 8 24
90 90 PRO P T T 3 TS+ 0 0 -76.3 -25.5 -180.0 55.6 82.3 43.9 0 0.0 0 0.0 0 0.0 0 0.0 7 18
91 91 ASP D T T 3 TS+ 0 0 -96.5 26.4 180.0 69.9 103.4 86.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21
92 92 GLN Q t < T - 0 0 -138.5 160.6 180.0 -148.7 65.1 160.6 89 -0.8 0 0.0 0 0.0 0 0.0 9 30
93 93 GLU E e - 0 0 -130.0 154.3 180.0 -111.9 24.7 159.2 0 0.0 38 -1.7 0 0.0 95 -0.7 11 40
94 94 LEU L E E A e - 0 38 -87.8 113.8 -179.9 -167.9 33.1 138.0 0 0.0 2 -1.3 0 0.0 96 -0.6 11 55
95 95 VAL V E E Abe - 2 39 -105.1 122.5 -180.0 -152.9 8.6 152.3 38 -1.9 40 -1.7 93 -0.7 97 -0.8 14 58
96 96 ILE I E E Abe + 3 40 -96.1 111.0 -179.9 163.5 24.5 144.3 2 -2.9 4 -1.7 94 -0.6 0 0.0 14 58
97 97 ALA A E E A * - 0 0 -92.2 -46.0 -179.9 -176.3 40.0 28.6 40 -2.0 0 0.0 95 -0.8 0 0.0 11 67
98 98 GLY G E E A e - 0 41 162.5 -166.3 0.0 -128.8 57.9 169.5 40 -1.0 42 -0.9 0 0.0 0 0.0 12 56
99 99 GLY G h > T - 0 0 -78.7 -154.1 180.0 -108.6 55.6 57.4 0 0.0 103 -1.7 0 0.0 0 0.0 10 49
100 100 ALA A H H > TS+ 0 0 -65.7 -32.4 180.0 60.2 119.6 30.8 0 0.0 104 -1.9 0 0.0 0 0.0 9 46
101 101 GLN Q H H > TS+ 0 0 -63.6 -35.9 179.9 46.5 106.4 27.5 0 0.0 105 -1.0 0 0.0 0 0.0 8 39
102 102 ILE I H H > TS+ 0 0 -74.4 -36.1 179.9 56.5 107.6 28.5 0 0.0 106 -1.8 0 0.0 0 0.0 12 50
103 103 PHE F H H < TS+ 0 0 -62.9 -37.3 -180.0 54.7 103.5 26.3 99 -1.7 0 0.0 0 0.0 0 0.0 13 48
104 104 THR T H H < > TS+ 0 0 -64.8 -34.6 -179.9 54.8 104.7 28.8 100 -1.9 107 -0.8 0 0.0 0 0.0 8 35
105 105 ALA A H H < > TS+ 0 0 -65.0 -47.1 -180.0 43.5 111.1 18.3 101 -1.0 107 -0.9 0 0.0 108 -0.5 8 40
106 106 PHE F T h < 3 TS+ 0 0 -94.8 56.8 180.0 114.7 79.8 111.3 102 -1.8 0 0.0 0 0.0 0 0.0 9 45
107 107 LYS K T T < TS+ 0 0 -94.6 -29.4 -180.0 50.2 73.7 40.1 105 -0.9 0 0.0 104 -0.8 0 0.0 7 34
108 108 ASP D S t < TS+ 0 0 -98.3 34.1 180.0 55.0 109.9 93.1 105 -0.5 0 0.0 0 0.0 0 0.0 5 26
109 109 ASP D S S S+ 0 0 -163.7 76.9 -179.9 104.3 73.9 113.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
110 110 VAL V + 0 0 -161.5 128.4 179.8 161.6 19.4 153.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
111 111 ASP D S e S+ 0 0 -116.5 -41.9 179.8 54.3 70.7 45.2 1 -0.6 160 -0.7 0 0.0 0 0.0 8 34
112 112 THR T E E AaG - 2 159 -98.1 137.1 -179.8 -166.6 63.3 142.6 1 -0.6 3 -1.9 0 0.0 114 -0.5 11 41
113 113 LEU L E E AaG - 3 158 -126.0 99.1 179.9 -170.7 3.1 149.0 158 -2.2 158 -1.8 0 0.0 0 0.0 11 50
114 114 LEU L E E AaG + 4 157 -90.4 127.6 -179.8 161.9 17.1 139.1 3 -2.1 5 -1.6 112 -0.5 0 0.0 12 52
115 115 VAL V E E AaG - 5 156 -144.7 148.7 179.8 -140.3 33.3 175.6 156 -1.8 156 -2.6 0 0.0 117 -0.7 12 60
116 116 THR T E E AaG - 6 155 -113.3 105.3 -179.9 -157.8 16.6 152.5 5 -1.5 7 -1.6 0 0.0 118 -0.5 13 54
117 117 ARG R E E AaG - 7 154 -83.4 122.5 -180.0 -162.4 12.9 133.8 154 -1.8 154 -1.3 115 -0.7 0 0.0 12 46
118 118 LEU L E E A G - 0 153 -92.2 -174.3 -179.9 -145.0 15.8 104.2 7 -1.5 0 0.0 116 -0.5 0 0.0 14 46
119 119 ALA A S e S+ 0 0 -120.8 -43.9 -180.0 79.7 72.6 47.3 152 -1.1 0 0.0 0 0.0 0 0.0 11 35
120 120 GLY G S S S- 0 0 -67.2 146.4 180.0 -123.4 79.8 111.8 150 -1.3 0 0.0 0 0.0 0 0.0 10 33
121 121 SER S - 0 0 -89.0 158.1 -180.0 -178.6 31.5 122.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
122 122 PHE F - 0 0 -149.8 165.8 -180.0 -122.0 22.1 164.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33
123 123 GLU E + 0 0 -114.6 145.5 180.0 119.3 46.5 152.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
124 124 GLY G - 0 0 178.7 178.7 -179.9 -119.3 57.1 168.6 0 0.0 0 0.0 0 0.0 0 0.0 10 25
125 125 ASP D S S S+ 0 0 -111.0 -27.9 -179.8 92.8 82.3 47.7 0 0.0 0 0.0 0 0.0 0 0.0 8 25
126 126 THR T E E BC + 14 0 -70.8 123.6 -179.9 171.2 55.9 122.4 14 -0.7 13 -2.1 0 0.0 14 -0.6 10 36
127 127 LYS K E E BC - 12 0 -128.4 170.0 -179.9 -99.2 34.7 144.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
128 128 MET M e - 0 0 -91.2 145.3 179.8 -107.7 41.9 132.3 11 -0.9 0 0.0 0 0.0 0 0.0 9 45
129 129 ILE I - 0 0 -64.2 166.2 -180.0 -87.9 43.8 99.7 0 0.0 131 -0.8 0 0.0 0 0.0 7 35
130 130 PRO P + 0 0 -79.5 106.7 179.9 177.4 55.4 132.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
131 131 LEU L - 0 0 -109.5 163.3 -180.0 -113.0 32.3 135.2 129 -0.8 133 -0.7 0 0.0 0 0.0 4 33
132 132 ASN N + 0 0 -99.3 114.6 -179.9 176.9 28.6 147.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
133 133 TRP W S t > TS+ 0 0 -96.7 8.5 -180.0 76.8 70.1 70.8 131 -0.7 136 -0.5 0 0.0 0 0.0 6 27
134 134 ASP D T T 3 TS+ 0 0 -87.4 -28.8 -179.9 52.2 91.1 37.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
135 135 ASP D T e 3 TS+ 0 0 -97.3 38.2 179.9 70.0 105.5 96.4 0 0.0 161 -0.6 0 0.0 0 0.0 7 20
136 136 PHE F E E AH < T - 160 0 -145.1 168.8 180.0 -147.6 63.5 158.6 133 -0.5 0 0.0 0 0.0 0 0.0 10 25
137 137 THR T E E AH - 159 0 -142.9 143.2 -179.9 -131.9 14.4 178.7 159 -2.3 159 -2.4 0 0.0 139 -0.6 10 23
138 138 LYS K E E AH + 158 0 -98.1 121.4 180.0 157.3 33.7 146.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27
139 139 VAL V E E A* + 0 0 -111.6 -30.2 180.0 47.9 65.2 46.7 157 -1.4 0 0.0 137 -0.6 0 0.0 7 23
140 140 SER S E E AH + 157 0 -115.5 138.2 179.9 159.3 58.9 157.3 157 -1.1 157 -2.0 0 0.0 0 0.0 7 22
141 141 SER S E E AH + 156 0 -159.3 111.8 -180.0 177.0 8.4 143.0 0 0.0 0 0.0 0 0.0 0 0.0 9 24
142 142 ARG R E E AH - 155 0 -121.9 121.1 179.9 -149.9 17.3 163.8 155 -1.9 155 -1.7 0 0.0 0 0.0 7 24
143 143 THR T E E AH - 154 0 -89.7 132.9 -179.9 -173.9 15.0 136.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
144 144 VAL V E E AH - 153 0 -130.3 121.9 180.0 -156.1 8.0 166.6 153 -2.1 153 -2.0 0 0.0 0 0.0 8 31
145 145 GLU E - 0 0 -93.0 156.3 -180.0 -155.2 9.7 127.2 0 0.0 0 0.0 0 0.0 0 0.0 10 25
146 146 ASP D - 0 0 -115.6 -167.1 180.0 -78.8 41.2 115.3 148 -0.7 0 0.0 0 0.0 0 0.0 9 26
147 147 THR T S S S+ 0 0 -63.3 -42.1 180.0 41.9 117.0 22.4 0 0.0 0 0.0 0 0.0 0 0.0 5 19
148 148 ASN N S S S- 0 0 -103.2 166.0 179.9 -126.9 81.5 128.7 0 0.0 146 -0.7 0 0.0 0 0.0 7 19
149 149 PRO P S t > TS+ 0 0 -80.3 -29.0 -180.0 54.2 110.0 42.4 0 0.0 152 -0.7 0 0.0 0 0.0 9 23
150 150 ALA A T T 3 TS+ 0 0 -80.4 -19.9 -179.8 59.9 101.4 44.0 0 0.0 120 -1.3 0 0.0 0 0.0 8 30
151 151 LEU L T T 3 TS+ 0 0 -96.4 31.2 179.8 133.1 76.9 89.8 0 0.0 0 0.0 0 0.0 0 0.0 12 33
152 152 THR T e < T - 0 0 -81.5 143.4 -179.9 -177.8 32.0 125.4 149 -0.7 119 -1.1 0 0.0 0 0.0 12 34
153 153 HIS H E E AGH - 118 144 -140.8 152.3 179.9 -159.0 16.0 169.6 144 -2.0 144 -2.1 0 0.0 0 0.0 13 44
154 154 THR T E E AGH - 117 143 -136.1 118.1 -179.9 -137.4 17.2 163.2 117 -1.3 117 -1.8 0 0.0 156 -0.6 12 42
155 155 TYR Y E E AGH - 116 142 -75.6 117.3 179.9 -171.3 26.7 127.5 142 -1.7 142 -1.9 0 0.0 0 0.0 12 42
156 156 GLU E E E AGH - 115 141 -112.0 140.8 -179.9 -163.1 10.9 152.9 115 -2.6 115 -1.8 154 -0.6 158 -0.5 12 40
157 157 VAL V E E AGH - 114 140 -125.7 105.5 179.9 -175.8 9.8 154.4 140 -2.0 139 -1.4 0 0.0 140 -1.1 12 37
158 158 TRP W E E AGH - 113 138 -98.6 151.2 -179.9 -172.4 3.3 135.3 113 -1.8 113 -2.2 156 -0.5 0 0.0 12 34
159 159 GLN Q E E AGH - 112 137 -141.1 153.7 180.0 -100.4 29.2 168.5 137 -2.4 137 -2.3 0 0.0 0 0.0 11 29
160 160 LYS K E E A H - 0 136 -71.6 149.0 180.0 -134.8 24.8 114.2 111 -0.7 0 0.0 0 0.0 0 0.0 9 27
161 161 LYS K e 0 0 -70.5 -48.3 180.0 999.9 999.9 17.6 135 -0.6 0 0.0 0 0.0 0 0.0 6 18
162 162 ALA A 0 0 -155.3 999.9 999.9 999.9 999.9 65.5 0 0.0 0 0.0 0 0.0 0 0.0 2 15
1ao8-.pdb
1AO8 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE TT EEEBTTB SS HHHHHHHHHTTTTSEEEE HHHHHHSSSSS SSEEEEE S S SSSEEE HHHHHHHHHH TT EEEEE H Kabs/Sand
chirality -++-+--+-+-----+--+-+++++++++++++++---+--++++++-+-+--++-----+-+-++-+-++--+-+-+++++++++++++----+---+ chirality
bends SS SSSS SS SSSSSSSSSSSSSS SSSSSSSSSSS SS S S SSS SSSSSSSSSS SS S bends
turns TTTT TTTT TTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTT TT turns
5-turns 5-turns
3-turns >33< >33< >33< >33X33< >33< >33X33< 3-turns
bridge-2 bb eeee fff eee*e bridge-2
bridge-1 aaaaaa C*CA A dddd dddd fff bb bridge-1
sheets AAAAAA BBB AAAA AAAAA AAA AAAAA sheets
4-turns >>>>XXX>>><<<< >>>>XXXX<<<< >> 4-turns
summary eEEEEEEtTTeEEEBTTB SS hHHHHHHHHHhTTTeEEEEhHHHHHHhSSSS SSEEEEEeS S SSSEEE hHHHHHHHHHHhTTteEEEEEhH summary
sequence TAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTTSS SEEEEEEESS SEE STTEEEEEEEEE SSSTT EEEEEEEE Kabs/Sand
chirality +++++++++++--+----+---+-++---+-++++--++++-----+-+++--------- chirality
bends SSSSSSSSS S SS S SSS SSSSS bends
turns TTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< 3-turns
bridge-2 GGGGGGG HHHHHHHH bridge-2
bridge-1 aaaaaa CC HHH*HHHHH GGGGGGG bridge-1
sheets AAAAAAA BB AAAAAAAAA AAAAAAAA sheets
4-turns >><<<< 4-turns
summary HHHHHhTtS eEEEEEEEeS SEEe tTeEEEEEEEEE SStTTeEEEEEEEEe summary
sequence QIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA sequence
110 120 130 140 150 160