Secondary structure calculation program - copyright by David Keith Smith, 1989
1d4oA.pdb
1D4O OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 177
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 GLY G 0 0 999.9 149.8 -171.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 14
2 A 6 THR T + 0 0 -63.2 -17.1 172.7 46.6 999.9 58.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
3 A 7 HIS H S S S- 0 0 -118.3 171.1 175.4 -118.1 79.3 143.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30
4 A 8 THR T - 0 0 -106.2 128.0 171.0 -157.3 22.1 155.9 0 0.0 158 -3.1 0 0.0 0 0.0 9 30
5 A 9 GLU E B B a - 158 0 -101.6 136.9 172.8 -172.4 11.4 154.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
6 A 10 ILE I - 0 0 -118.9 169.2 177.4 -129.7 15.1 142.7 158 -2.5 0 0.0 0 0.0 0 0.0 9 37
7 A 11 ASN N h > T - 0 0 -107.0 178.9 -179.4 -93.1 36.6 123.1 0 0.0 11 -1.8 0 0.0 0 0.0 7 33
8 A 12 LEU L H H > TS+ 0 0 -62.8 -38.7 -177.9 53.9 122.9 33.7 0 0.0 12 -2.4 0 0.0 0 0.0 10 38
9 A 13 ASP D H H > TS+ 0 0 -69.4 -34.2 175.2 52.0 106.3 26.9 0 0.0 13 -2.5 0 0.0 0 0.0 6 29
10 A 14 ASN N H H > TS+ 0 0 -60.6 -41.4 -177.0 50.2 110.6 21.3 0 0.0 14 -2.2 0 0.0 0 0.0 8 33
11 A 15 ALA A H H X TS+ 0 0 -65.9 -44.0 178.3 49.9 109.5 24.3 7 -1.8 15 -2.4 0 0.0 0 0.0 11 49
12 A 16 ILE I H H X TS+ 0 0 -62.7 -40.7 179.4 50.6 109.5 25.6 8 -2.4 16 -2.5 0 0.0 0 0.0 11 46
13 A 17 ASP D H H X TS+ 0 0 -66.1 -36.0 175.2 50.6 110.0 26.0 9 -2.5 17 -1.9 0 0.0 0 0.0 8 35
14 A 18 MET M H H X TS+ 0 0 -63.3 -42.4 177.1 48.0 111.8 24.1 10 -2.2 18 -1.1 0 0.0 0 0.0 9 42
15 A 19 ILE I H H < TS+ 0 0 -62.4 -39.4 -175.1 51.8 110.9 25.7 11 -2.4 0 0.0 0 0.0 0 0.0 9 58
16 A 20 A ARG R H H < TS+ 0 0 -67.5 -37.1 -178.7 47.3 110.2 28.1 12 -2.5 0 0.0 0 0.0 0 0.0 7 40
17 A 21 GLU E H H < TS+ 0 0 -78.3 -16.3 -179.2 91.2 97.2 45.1 13 -1.9 0 0.0 0 0.0 0 0.0 6 32
18 A 22 ALA A h < T - 0 0 -85.0 131.8 168.2 -177.1 46.2 128.9 14 -1.1 0 0.0 0 0.0 0 0.0 10 38
19 A 23 ASN N S e S+ 0 0 -82.9 -37.2 -173.8 42.4 80.1 38.8 0 0.0 51 -2.7 0 0.0 0 0.0 9 34
20 A 24 SER S E E Aa + 51 0 -120.2 130.2 -179.2 178.2 67.9 164.0 0 0.0 96 -1.6 0 0.0 0 0.0 10 46
21 A 25 ILE I E E Aab - 52 96 -132.0 133.0 170.9 -168.4 9.3 175.4 51 -3.0 53 -2.0 0 0.0 0 0.0 15 59
22 A 26 ILE I E E Aab - 53 97 -119.6 133.1 173.7 -155.5 9.1 172.1 96 -2.2 98 -2.5 0 0.0 24 -0.5 12 65
23 A 27 ILE I E E Aab - 54 98 -103.2 126.0 174.9 -165.1 2.9 156.9 53 -2.6 55 -2.5 0 0.0 0 0.0 12 80
24 A 28 THR T E E A b - 0 99 -109.8 103.4 -174.1 -161.9 16.8 156.9 98 -2.4 100 -1.9 22 -0.5 0 0.0 14 74
25 A 29 PRO P E E A b + 0 100 -88.9 148.4 174.7 168.9 14.4 126.6 0 0.0 0 0.0 0 0.0 0 0.0 15 77
26 A 30 GLY G h > > T - 0 0 -139.7 -168.4 -176.1 -63.0 53.5 137.1 100 -2.2 29 -1.7 0 0.0 30 -0.9 16 62
27 A 31 TYR Y H H > 3 TS+ 0 0 -51.9 -39.2 -177.9 63.6 122.6 35.1 0 0.0 31 -2.6 0 0.0 0 0.0 12 50
28 A 32 GLY G H H > 3 TS+ 0 0 -58.7 -30.8 177.3 59.3 96.4 36.8 101 -2.5 32 -1.2 0 0.0 0 0.0 13 54
29 A 33 LEU L H H 4 <>TS+ 0 0 -61.1 -52.8 -175.4 35.2 112.9 17.4 26 -1.7 34 -2.5 100 -0.6 0 0.0 15 60
30 A 34 CYS C H H < >5TS+ 0 0 -80.9 -24.9 170.8 64.4 109.1 32.8 26 -0.9 33 -1.1 0 0.0 0 0.0 13 49
31 A 35 ALA A H H < 35TS+ 0 0 -54.7 -36.8 -175.5 38.0 112.6 30.7 27 -2.6 0 0.0 0 0.0 0 0.0 7 38
32 A 36 ALA A T h < 35TS- 0 0 -93.3 -1.9 -170.4 -122.5 110.0 64.6 28 -1.2 0 0.0 0 0.0 0 0.0 9 37
33 A 37 LYS K T T X5T + 0 0 56.1 37.1 -178.7 148.1 61.5 32.4 30 -1.1 36 -0.9 0 0.0 0 0.0 8 41
34 A 38 ALA A T h > 3 3 TS+ 0 0 -61.3 -30.1 -174.0 57.9 80.5 34.7 0 0.0 39 -2.0 0 0.0 0 0.0 11 53
36 A 40 TYR Y H H > < TS+ 0 0 -72.5 -55.1 176.4 38.0 109.8 14.9 33 -0.9 40 -1.5 0 0.0 0 0.0 8 39
37 A 41 PRO P H H > TS+ 0 0 -62.4 -33.7 -178.7 57.2 115.7 28.4 0 0.0 41 -2.7 0 0.0 0 0.0 11 42
38 A 42 ILE I H H X TS+ 0 0 -65.5 -37.9 179.6 54.8 100.2 22.3 34 -1.9 42 -2.8 0 0.0 0 0.0 11 62
39 A 43 ALA A H H X TS+ 0 0 -63.2 -34.7 178.7 44.8 112.5 22.8 35 -2.0 43 -1.8 0 0.0 0 0.0 12 53
40 A 44 ASP D H H X TS+ 0 0 -74.8 -38.9 175.5 53.2 110.4 22.6 36 -1.5 44 -2.7 0 0.0 0 0.0 9 41
41 A 45 LEU L H H X TS+ 0 0 -53.7 -47.7 -176.0 48.8 110.4 20.5 37 -2.7 45 -2.8 0 0.0 0 0.0 11 53
42 A 46 VAL V H H X TS+ 0 0 -64.7 -39.4 -179.8 52.0 109.2 22.6 38 -2.8 46 -2.5 0 0.0 0 0.0 9 56
43 A 47 LYS K H H X TS+ 0 0 -62.8 -47.6 176.5 45.5 112.5 17.5 39 -1.8 47 -2.0 0 0.0 0 0.0 8 43
44 A 48 MET M H H X TS+ 0 0 -60.8 -43.9 -178.9 48.3 113.5 23.8 40 -2.7 48 -1.3 0 0.0 0 0.0 10 38
45 A 49 LEU L H H < >TS+ 0 0 -67.7 -34.9 175.7 51.6 110.4 26.3 41 -2.8 50 -1.8 0 0.0 0 0.0 10 46
46 A 50 SER S H H < >5TS+ 0 0 -63.7 -37.3 -179.9 55.9 105.7 28.1 42 -2.5 49 -1.9 0 0.0 0 0.0 10 35
47 A 51 GLU E H H < 35TS+ 0 0 -67.7 -24.7 175.3 59.8 99.7 37.5 43 -2.0 0 0.0 0 0.0 0 0.0 7 28
48 A 52 GLN Q T h < 35TS- 0 0 -82.8 10.2 174.4 -106.7 125.7 72.1 44 -1.3 0 0.0 0 0.0 0 0.0 6 26
49 A 53 GLY G T T <5TS+ 0 0 81.9 3.8 177.3 142.5 72.4 62.1 46 -1.9 0 0.0 0 0.0 0 0.0 7 22
50 A 54 LYS K t T - 0 0 -67.6 142.4 176.6 -122.1 24.2 116.2 55 -0.5 60 -1.8 0 0.0 0 0.0 11 52
58 A 62 PRO P T T 3 TS+ 0 0 -59.1 -25.0 178.2 41.7 113.6 36.0 0 0.0 65 -0.7 0 0.0 0 0.0 8 37
59 A 63 VAL V T T 3 TS+ 0 0 -107.6 17.8 175.4 134.3 82.7 78.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
60 A 64 ALA A t < T + 0 0 -59.4 146.7 177.6 9.4 63.4 105.4 57 -1.8 0 0.0 0 0.0 0 0.0 16 47
61 A 65 GLY G S S S- 0 0 84.7 -156.7 -178.1 -72.8 101.0 115.2 0 0.0 0 0.0 0 0.0 0 0.0 12 43
62 A 66 ARG R S S S+ 0 0 -126.1 -0.3 175.6 48.8 111.3 65.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
63 A 67 MET M S t > TS- 0 0 -137.6 151.1 -174.0 -86.0 101.3 163.2 0 0.0 66 -2.2 0 0.0 0 0.0 7 25
64 A 68 PRO P T T 3 TS- 0 0 -63.7 121.7 179.2 -2.8 113.4 112.9 0 0.0 0 0.0 0 0.0 0 0.0 8 21
65 A 69 GLY G T h > 3 TS+ 0 0 77.3 9.7 -176.6 142.3 89.1 54.9 58 -0.7 69 -2.6 0 0.0 0 0.0 10 31
66 A 70 GLN Q H H > < TS+ 0 0 -55.0 -46.7 -178.6 45.6 70.0 29.2 63 -2.2 70 -2.5 0 0.0 0 0.0 10 39
67 A 71 LEU L H H > TS+ 0 0 -66.7 -37.3 -179.7 51.1 113.3 26.3 0 0.0 71 -2.4 0 0.0 0 0.0 13 52
68 A 72 ASN N H H > TS+ 0 0 -63.1 -47.4 -179.3 44.9 113.1 18.6 0 0.0 72 -2.0 0 0.0 0 0.0 9 47
69 A 73 VAL V H H X TS+ 0 0 -62.8 -48.2 -171.8 46.3 115.3 20.7 65 -2.6 73 -2.9 0 0.0 0 0.0 8 40
70 A 74 LEU L H H X TS+ 0 0 -71.7 -34.8 176.4 48.3 113.0 29.3 66 -2.5 74 -1.8 0 0.0 0 0.0 10 40
71 A 75 LEU L H H X >TS+ 0 0 -68.6 -38.4 175.4 48.3 113.5 23.2 67 -2.4 76 -2.6 0 0.0 75 -0.5 11 51
72 A 76 ALA A H H < >5TS+ 0 0 -60.9 -48.5 177.7 51.1 110.5 14.8 68 -2.0 75 -1.6 0 0.0 0 0.0 10 35
73 A 77 GLU E H H < 35TS+ 0 0 -55.8 -38.7 -177.7 54.4 107.5 26.9 69 -2.9 0 0.0 0 0.0 0 0.0 7 25
74 A 78 ALA A H H < 35TS- 0 0 -77.3 -8.5 175.0 -98.4 127.0 54.0 70 -1.8 0 0.0 0 0.0 0 0.0 9 31
75 A 79 GLY G T h < <5T + 0 0 107.8 8.8 178.5 149.0 69.3 59.7 72 -1.6 0 0.0 71 -0.5 0 0.0 7 29
76 A 80 VAL V t T - 0 0 -68.0 141.7 -179.1 -130.9 13.7 115.1 0 0.0 80 -1.5 0 0.0 0 0.0 7 35
78 A 82 TYR Y G G > TS+ 0 0 -59.7 -31.2 -173.7 71.1 100.2 37.3 0 0.0 81 -1.6 0 0.0 0 0.0 6 27
79 A 83 ASP D G G 3 TS+ 0 0 -72.2 -4.2 175.8 46.7 98.8 57.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
80 A 84 ILE I G e < TS+ 0 0 -113.3 8.4 178.1 90.6 93.6 76.5 77 -1.5 54 -2.9 0 0.0 82 -0.6 9 42
81 A 85 VAL V E E Ac < T - 54 0 -108.9 115.5 -175.3 -178.8 58.8 157.5 78 -1.6 0 0.0 0 0.0 0 0.0 12 45
82 A 86 LEU L E E Ac - 55 0 -116.4 155.2 173.3 -114.5 26.3 144.5 54 -2.8 56 -2.4 80 -0.6 0 0.0 11 39
83 A 87 GLU E E E >Ac > T - 56 0 -77.3 156.9 177.9 -105.5 36.9 117.8 0 0.0 87 -1.3 0 0.0 86 -1.1 10 43
84 A 88 MET M H H > > TS+ 0 0 -47.9 -53.4 -176.2 46.7 120.4 24.0 56 -1.3 88 -2.4 0 0.0 87 -0.9 12 41
85 A 89 ASP D H H 4 3 TS+ 0 0 -73.4 -11.1 172.1 55.7 110.5 46.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
86 A 90 GLU E H H 4 < TS+ 0 0 -82.3 -25.1 -171.2 23.8 122.0 41.6 83 -1.1 0 0.0 0 0.0 0 0.0 7 28
87 A 91 ILE I H H < X TS+ 0 0 -118.1 -13.5 -172.2 92.6 92.3 54.1 83 -1.3 90 -2.1 84 -0.9 0 0.0 10 42
88 A 92 ASN N G h < > TS+ 0 0 -60.1 -35.6 -176.5 59.7 83.3 32.2 84 -2.4 91 -1.5 0 0.0 0 0.0 10 42
89 A 93 HIS H G G 3 TS+ 0 0 -67.5 -13.3 -177.5 62.5 98.1 45.9 0 0.0 0 0.0 0 0.0 0 0.0 7 33
90 A 94 ASP D G G X TS+ 0 0 -86.9 -14.4 -175.4 90.1 74.7 52.8 87 -2.1 93 -1.5 0 0.0 0 0.0 7 39
91 A 95 PHE F G G X TS+ 0 0 -57.8 -41.2 177.1 54.9 82.7 26.8 88 -1.5 94 -1.9 0 0.0 0 0.0 12 46
92 A 96 PRO P G G 3 TS+ 0 0 -60.2 -21.3 178.3 47.7 111.7 40.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
93 A 97 ASP D G G < TS+ 0 0 -101.6 15.4 -177.1 104.2 91.9 79.5 90 -1.5 95 -0.5 0 0.0 0 0.0 7 30
94 A 98 THR T g < T - 0 0 -106.8 130.2 -178.3 -159.5 55.2 148.1 91 -1.9 130 -2.5 0 0.0 0 0.0 12 41
95 A 99 ASP D S S S+ 0 0 -70.9 -39.2 -174.3 14.1 77.8 31.4 93 -0.5 0 0.0 0 0.0 0 0.0 11 44
96 A 100 LEU L E E Ab - 21 0 -147.5 132.5 172.2 -163.3 57.2 171.4 20 -1.6 22 -2.2 0 0.0 0 0.0 15 54
97 A 101 VAL V E E Abd - 22 132 -114.4 126.9 172.9 -157.5 8.4 169.0 131 -2.3 133 -2.5 0 0.0 99 -0.7 14 68
98 A 102 LEU L E E Abd - 23 133 -99.1 107.2 176.3 -163.6 5.6 157.6 22 -2.5 24 -2.4 0 0.0 100 -0.8 12 77
99 A 103 VAL V E E Abd - 24 134 -87.3 107.7 -171.4 -173.4 13.4 147.7 133 -3.0 135 -3.0 97 -0.7 101 -0.7 14 77
100 A 104 ILE I E E Abd - 25 135 -116.3 99.0 -179.6 -30.3 66.8 150.1 24 -1.9 26 -2.2 98 -0.8 29 -0.6 14 74
101 A 105 GLY G S e S+ 0 0 71.8 15.0 176.1 122.4 106.0 47.1 135 -2.4 28 -2.5 99 -0.7 0 0.0 14 64
102 A 106 ALA A + 0 0 -104.5 153.6 -179.0 139.3 15.8 141.9 0 0.0 0 0.0 0 0.0 0 0.0 14 73
103 A 107 ASN N S g > TS+ 0 0 -153.0 -71.0 178.0 42.6 70.7 76.8 0 0.0 106 -1.9 0 0.0 0 0.0 11 66
104 A 108 ASP D G G > TS+ 0 0 -55.0 -36.5 -173.7 56.5 113.1 30.9 0 0.0 107 -1.1 0 0.0 0 0.0 10 56
105 A 109 THR T G G 3 TS+ 0 0 -77.2 -6.3 -178.9 36.5 115.9 56.7 0 0.0 124 -2.9 0 0.0 0 0.0 12 65
106 A 110 VAL V G G < TS+ 0 0 -130.5 24.4 -173.3 133.6 83.1 90.1 103 -1.9 108 -0.8 0 0.0 0 0.0 10 70
107 A 111 ASN N g X T - 0 0 -91.3 111.5 -176.0 -162.0 40.3 132.4 104 -1.1 110 -1.7 0 0.0 0 0.0 12 59
108 A 112 SER S T h > > TS+ 0 0 -66.4 -18.1 179.6 80.4 79.8 49.8 106 -0.8 112 -2.7 0 0.0 111 -1.7 12 47
109 A 113 ALA A H H > 3 TS+ 0 0 -62.1 -22.5 177.0 70.8 79.8 37.9 0 0.0 113 -2.3 0 0.0 0 0.0 11 37
110 A 114 ALA A H H 4 < TS+ 0 0 -62.2 -29.4 173.3 24.6 114.6 35.8 107 -1.7 120 -2.7 0 0.0 0 0.0 15 33
111 A 115 GLN Q H H 4 < TS+ 0 0 -97.4 -31.0 -169.6 48.5 126.4 41.5 108 -1.7 0 0.0 0 0.0 0 0.0 9 30
112 A 116 GLU E H H < TS+ 0 0 -90.7 -18.6 -175.9 49.0 106.6 49.6 108 -2.7 0 0.0 0 0.0 0 0.0 7 30
113 A 117 ASP D h < > T - 0 0 -126.7 106.4 -177.8 -166.9 56.3 158.5 109 -2.3 116 -1.8 0 0.0 0 0.0 8 21
114 A 118 PRO P T T 3 TS+ 0 0 -66.4 -14.6 175.5 52.5 92.8 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 17
115 A 119 ASN N T T 3 TS+ 0 0 -102.9 10.7 172.0 116.5 82.8 72.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
116 A 120 SER S S t X TS- 0 0 -67.7 151.8 174.4 -120.4 76.4 117.4 113 -1.8 119 -1.8 0 0.0 0 0.0 8 23
117 A 121 ILE I T T 3 TS+ 0 0 -63.2 -23.8 179.6 45.3 117.6 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
118 A 122 ILE I T T > TS+ 0 0 -102.8 17.9 -177.8 147.2 82.0 78.5 0 0.0 121 -2.2 0 0.0 0 0.0 7 31
119 A 123 ALA A T T < TS+ 0 0 -54.1 132.7 176.3 11.4 71.5 103.2 116 -1.8 0 0.0 0 0.0 0 0.0 12 26
120 A 124 GLY G T T 3 TS+ 0 0 86.0 -12.9 179.5 132.7 91.3 72.1 110 -2.7 0 0.0 0 0.0 0 0.0 7 22
121 A 125 MET M t < T - 0 0 -75.7 140.5 -176.3 -105.8 64.6 122.3 118 -2.2 0 0.0 0 0.0 0 0.0 7 32
122 A 126 PRO P + 0 0 -69.5 138.2 176.9 174.1 46.5 113.7 0 0.0 0 0.0 0 0.0 0 0.0 6 37
123 A 127 VAL V - 0 0 -135.7 165.4 173.0 -97.3 39.3 159.2 0 0.0 0 0.0 0 0.0 0 0.0 12 49
124 A 128 LEU L - 0 0 -82.3 127.1 -170.1 -134.7 35.6 136.4 105 -2.9 126 -2.0 0 0.0 0 0.0 12 59
125 A 129 GLU E g > T + 0 0 -84.6 54.7 -166.0 147.7 49.3 103.5 0 0.0 128 -1.9 0 0.0 0 0.0 9 58
126 A 130 VAL V G G > T + 0 0 -67.5 -26.3 -176.2 69.8 58.9 38.2 124 -2.0 129 -1.9 0 0.0 0 0.0 9 66
127 A 131 TRP W G G 3 TS+ 0 0 -70.0 -10.3 177.4 69.0 86.9 54.8 0 0.0 0 0.0 0 0.0 0 0.0 13 51
128 A 132 LYS K G G < TS+ 0 0 -83.0 -10.7 177.6 92.9 83.0 57.6 125 -1.9 0 0.0 0 0.0 0 0.0 7 45
129 A 133 SER S S g < TS- 0 0 -75.8 173.3 -176.2 -107.4 91.2 103.7 126 -1.9 0 0.0 0 0.0 0 0.0 13 45
130 A 134 LYS K S S S+ 0 0 -70.9 -36.0 -176.3 8.6 99.4 27.6 94 -2.5 0 0.0 0 0.0 0 0.0 11 37
131 A 135 GLN Q e - 0 0 -148.2 134.2 177.8 -162.8 64.0 169.7 0 0.0 97 -2.3 0 0.0 0 0.0 11 51
132 A 136 VAL V E E Ade - 97 156 -118.3 137.2 168.0 -167.2 0.4 161.8 155 -2.7 157 -2.4 0 0.0 0 0.0 14 62
133 A 137 ILE I E E Ade - 98 157 -119.4 121.7 178.6 -157.5 10.2 178.5 97 -2.5 99 -3.0 0 0.0 135 -0.6 13 69
134 A 138 VAL V E E Ade - 99 158 -103.8 123.8 -179.5 -162.6 3.0 157.6 157 -2.5 159 -2.9 0 0.0 136 -0.6 14 72
135 A 139 MET M E E Ade + 100 159 -108.8 110.8 176.9 113.7 39.2 157.9 99 -3.0 101 -2.4 133 -0.6 0 0.0 15 69
136 A 140 LYS K E E A e S- 0 160 -162.0 174.8 -172.5 -103.8 70.9 154.4 134 -0.6 161 -2.2 159 -0.6 0 0.0 14 58
137 A 141 ARG R S S S- 0 0 -84.7 -26.2 -172.1 -2.4 90.2 36.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
138 A 142 SER S S S S- 0 0 -146.5 -175.2 171.7 -91.4 76.7 137.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
139 A 143 LEU L S S S+ 0 0 -88.4 13.4 -173.6 124.3 85.5 79.4 0 0.0 0 0.0 0 0.0 0 0.0 6 41
140 A 144 GLY G - 0 0 -82.5 175.0 -172.4 -86.9 61.0 93.2 0 0.0 0 0.0 0 0.0 0 0.0 5 33
141 A 145 VAL V - 0 0 -75.7 170.2 171.9 -143.0 26.3 93.6 0 0.0 0 0.0 0 0.0 0 0.0 10 33
142 A 146 GLY G t > T - 0 0 -109.4 -156.7 -177.6 -52.9 56.7 106.9 0 0.0 145 -1.7 0 0.0 0 0.0 8 42
143 A 147 TYR Y T T 3 TS+ 0 0 -50.5 -44.7 -173.0 53.1 132.7 32.3 0 0.0 0 0.0 0 0.0 0 0.0 5 29
144 A 148 ALA A T T 3 TS- 0 0 -77.3 -6.1 176.3 -130.1 102.7 56.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
145 A 149 ALA A t < T + 0 0 63.1 41.3 173.3 125.0 62.2 30.7 142 -1.7 0 0.0 0 0.0 0 0.0 6 23
146 A 150 VAL V - 0 0 -127.0 154.5 173.1 -105.5 63.8 163.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
147 A 151 ASP D - 0 0 -68.1 153.9 -178.2 -135.6 30.2 107.3 0 0.0 0 0.0 0 0.0 0 0.0 6 36
148 A 152 ASN N g > T - 0 0 -118.5 108.6 -177.8 -155.8 5.0 158.1 0 0.0 151 -2.0 0 0.0 0 0.0 11 51
149 A 153 PRO P G G > TS+ 0 0 -54.7 -27.8 -174.5 75.7 86.3 38.6 0 0.0 152 -2.1 0 0.0 0 0.0 9 48
150 A 154 ILE I G G > TS+ 0 0 -61.4 -21.3 -177.7 68.0 82.7 36.4 0 0.0 153 -1.0 0 0.0 0 0.0 9 54
151 A 155 PHE F G G < TS+ 0 0 -67.2 -17.7 -173.5 37.7 107.6 44.1 148 -2.0 0 0.0 0 0.0 0 0.0 11 50
152 A 156 TYR Y G G < TS+ 0 0 -116.5 5.5 178.3 117.2 88.1 76.4 149 -2.1 0 0.0 0 0.0 0 0.0 9 37
153 A 157 LYS K S g X TS- 0 0 -72.8 153.5 -177.6 -117.1 74.6 113.9 150 -1.0 156 -1.6 0 0.0 0 0.0 9 34
154 A 158 PRO P T T 3 TS+ 0 0 -67.5 -21.5 178.8 51.5 112.5 38.8 0 0.0 0 0.0 0 0.0 0 0.0 4 28
155 A 159 ASN N T e 3 TS+ 0 0 -100.7 17.8 173.8 93.4 93.9 79.5 0 0.0 132 -2.7 0 0.0 0 0.0 8 38
156 A 160 THR T E E Ae < T - 132 0 -111.3 134.8 170.8 -173.1 50.0 162.1 153 -1.6 0 0.0 0 0.0 0 0.0 15 49
157 A 161 ALA A E E Ae - 133 0 -117.8 137.1 175.2 -137.0 19.1 164.0 132 -2.4 134 -2.5 0 0.0 159 -0.5 13 49
158 A 162 MET M E E Aea - 134 5 -93.1 126.9 174.3 -168.6 12.1 147.4 4 -3.1 6 -2.5 0 0.0 160 -0.7 13 50
159 A 163 LEU L E E Ae - 135 0 -110.7 90.7 -165.2 -156.1 24.3 153.8 134 -2.9 136 -0.6 157 -0.5 0 0.0 13 51
160 A 164 LEU L E E Ae + 136 0 -85.4 137.5 176.3 78.9 39.0 122.4 158 -0.7 0 0.0 0 0.0 0 0.0 10 44
161 A 165 GLY G S e S- 0 0 157.8 168.1 169.0 -49.6 85.0 145.6 136 -2.2 0 0.0 0 0.0 0 0.0 10 37
162 A 166 ASP D h > T - 0 0 -55.8 138.7 -171.9 -123.0 58.0 114.5 0 0.0 166 -2.4 0 0.0 0 0.0 10 38
163 A 167 ALA A H H > TS+ 0 0 -65.4 -33.4 -178.4 46.7 108.0 36.5 0 0.0 167 -2.2 0 0.0 0 0.0 15 47
164 A 168 LYS K H H > TS+ 0 0 -77.7 -36.5 175.7 51.6 111.0 27.3 0 0.0 168 -2.9 0 0.0 0 0.0 11 42
165 A 169 LYS K H H > TS+ 0 0 -58.7 -45.3 -178.4 43.4 115.5 19.2 0 0.0 169 -1.7 0 0.0 0 0.0 8 34
166 A 170 THR T H H X TS+ 0 0 -66.2 -46.3 -175.6 44.6 116.6 19.4 162 -2.4 170 -2.4 0 0.0 0 0.0 11 50
167 A 171 CYS C H H X TS+ 0 0 -72.4 -33.0 173.0 54.6 110.2 30.9 163 -2.2 171 -2.8 0 0.0 0 0.0 11 54
168 A 172 ASP D H H X TS+ 0 0 -58.6 -41.8 -176.1 46.4 111.7 23.6 164 -2.9 172 -2.2 0 0.0 0 0.0 11 40
169 A 173 ALA A H H X TS+ 0 0 -70.4 -41.4 173.6 48.7 112.2 24.5 165 -1.7 173 -2.1 0 0.0 0 0.0 9 40
170 A 174 LEU L H H X TS+ 0 0 -64.0 -42.4 173.8 53.0 109.7 22.7 166 -2.4 174 -2.3 0 0.0 0 0.0 11 47
171 A 175 GLN Q H H X TS+ 0 0 -54.9 -47.0 179.6 49.5 109.8 19.7 167 -2.8 175 -2.5 0 0.0 0 0.0 12 38
172 A 176 ALA A H H X TS+ 0 0 -58.2 -44.6 -174.8 48.2 111.0 21.9 168 -2.2 176 -1.5 0 0.0 0 0.0 8 30
173 A 177 LYS K H H < TS+ 0 0 -70.5 -35.0 177.1 47.2 113.0 28.2 169 -2.1 0 0.0 0 0.0 0 0.0 9 30
174 A 178 VAL V H H < > TS+ 0 0 -70.5 -38.5 177.3 58.5 106.1 23.3 170 -2.3 177 -2.0 0 0.0 0 0.0 10 36
175 A 179 ARG R H H < 3 TS+ 0 0 -58.6 -31.3 169.8 71.2 90.9 36.2 171 -2.5 0 0.0 0 0.0 0 0.0 7 28
176 A 180 GLU E T h < 3 T 0 0 -50.8 -27.1 179.9 999.9 999.9 41.4 172 -1.5 0 0.0 0 0.0 0 0.0 5 21
177 A 181 SER S t < T 0 0 81.0 999.9 999.9 999.9 999.9 130.2 174 -2.0 0 0.0 0 0.0 0 0.0 4 25
1d4oA.pdb
1D4O OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S B HHHHHHHHHH SEEEEEE HHHHHTTTHHHHHHHHHHHHHTT EEEEEE TT SSSTTHHHHHHHHHT GGGEEEHHHHGGGGGG SEEEEE Kabs/Sand
chirality +-----++++++++++-++----+-+++++-+++++++++++++++-+-++-----+++-+--+++++++++-+--+++---++++++++++-+----- chirality
bends S SSSSSSSSSS S SSSSSS SSSSSSSSSSSSSSS SS SSSSSSSSSSSSSS SSS SSSSSSSSSS S bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33<>33X33< >33< >33< >33< >33< >>3<< >>33XX3<< 3-turns
bridge-2 bbbbb ccc dddd bridge-2
bridge-1 a aaaa aaaa ccc bbbbb bridge-1
sheets AAAAAA AAAAAA AAA AAAAA sheets
4-turns >>>>XXXX<<<< >>>4<<< >>>>XXXXXXX<<<< >>>>XXX<<<< >>44<< 4-turns
summary S B hHHHHHHHHHHheEEEEEEhHHHHHhThHHHHHHHHHHHHHhTtEEEEEEtTTtSStThHHHHHHHHHhtgGGeEEEHHHHhGGGGGgSEEEEE summary
sequence GTHTEINLDNAIDMIREANSIIITPGYGLCAAKAQYPIADLVKMLSEQGKKVRFGIHPVAGRMPGQLNVLLAEAGVPYDIVLEMDEINHDFPDTDLVLVI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S SGGG THHHH TTSTTTT GGGSS EEEEESSS TT GGGGSTTEEEEES HHHHHHHHHHHHHT Kabs/Sand
chirality ++++++-+++++-++-++++-+--++++-+----+---+---+-+---++++-++----+--+++++++++++++ chirality
bends S SSSS SSSSS SSSSSSS SSSS SSSS SS SSSSSSS S SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>33<< >33X3><3< >>3<< >33< >>><33< 3-turns
bridge-2 eeeee a bridge-2
bridge-1 dddd eeeee bridge-1
sheets AAAAA AAAAA sheets
4-turns >>44<< >>>>XXXXXXX<<<< 4-turns
summary e gGGGghHHHHhTTtTTTTt gGGGgSeEEEEESSS tTTt gGGGGgTeEEEEEehHHHHHHHHHHHHHht summary
sequence GANDTVNSAAQEDPNSIIAGMPVLEVWKSKQVIVMKRSLGVGYAAVDNPIFYKPNTAMLLGDAKKTCDALQAKVRES sequence
110 120 130 140 150 160 170