Secondary structure calculation program - copyright by David Keith Smith, 1989
1etpA.pdb
1ETP ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 190
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 ALA A 0 0 999.9 171.0 -178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
2 A 2 GLY G - 0 0 -125.4 163.1 178.9 -113.7 999.9 142.8 0 0.0 4 -0.8 0 0.0 0 0.0 11 34
3 A 3 ASP D h > T - 0 0 -94.6 105.9 179.6 -168.4 22.5 146.2 0 0.0 7 -2.3 0 0.0 0 0.0 11 29
4 A 4 ALA A H H > TS+ 0 0 -59.5 -41.0 -179.4 58.4 87.2 27.5 2 -0.8 8 -2.1 0 0.0 0 0.0 13 37
5 A 5 GLU E H H 4 TS+ 0 0 -55.6 -51.5 177.3 40.4 110.6 18.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
6 A 6 ALA A H H 4 > TS+ 0 0 -63.4 -40.3 -177.9 59.9 111.7 27.8 0 0.0 9 -1.5 0 0.0 0 0.0 10 26
7 A 7 GLY G H H < > TS+ 0 0 -60.2 -34.9 -179.1 64.1 92.5 33.8 3 -2.3 10 -1.4 0 0.0 0 0.0 17 40
8 A 8 GLN Q T h < 3 TS+ 0 0 -68.9 -10.0 176.5 53.1 100.8 50.7 4 -2.1 0 0.0 0 0.0 0 0.0 10 37
9 A 9 GLY G T G < TS+ 0 0 -96.0 -10.0 -178.1 59.1 102.1 54.2 6 -1.5 0 0.0 0 0.0 0 0.0 7 28
10 A 10 LYS K S g < TS+ 0 0 -101.9 16.2 -174.8 73.4 90.7 75.8 7 -1.4 0 0.0 0 0.0 0 0.0 8 38
11 A 11 VAL V g > > T + 0 0 -117.6 14.8 -178.9 115.3 51.0 76.7 0 0.0 15 -1.5 0 0.0 14 -1.4 10 47
12 A 12 ALA A G G 4 > TS+ 0 0 -48.5 -60.7 178.8 47.4 81.7 20.9 0 0.0 15 -0.6 0 0.0 0 0.0 7 28
13 A 13 VAL V G G 4 3 TS+ 0 0 -55.7 -18.6 -176.7 59.8 108.4 52.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
14 A 14 CYS C G h > X TS+ 0 0 -80.9 -43.9 -178.0 74.8 85.3 27.6 11 -1.4 18 -2.5 0 0.0 17 -1.5 9 45
15 A 15 GLY G H H X < TS+ 0 0 -42.5 -36.0 -179.6 66.2 82.7 45.7 11 -1.5 19 -1.7 12 -0.6 0 0.0 11 31
16 A 16 ALA A H H 4 3 TS+ 0 0 -58.5 -42.3 179.4 20.6 120.1 25.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
17 A 17 CYS C H H 4 < TS+ 0 0 -95.1 -36.2 -174.1 32.5 136.5 33.3 14 -1.5 0 0.0 0 0.0 0 0.0 9 31
18 A 18 HIS H H H < TS- 0 0 -102.3 -5.2 -175.1 -116.9 104.5 55.0 14 -2.5 0 0.0 0 0.0 0 0.0 15 44
19 A 19 GLY G h < > T - 0 0 80.0 152.0 -179.7 -82.5 34.5 83.5 15 -1.7 22 -1.2 0 0.0 0 0.0 11 36
20 A 20 VAL V T T 3 TS+ 0 0 -56.3 -45.8 177.8 36.0 132.9 24.7 0 0.0 0 0.0 0 0.0 0 0.0 10 38
21 A 21 ASP D T T 3 TS- 0 0 -90.9 9.9 -177.8 -102.0 122.0 73.9 0 0.0 0 0.0 0 0.0 0 0.0 11 40
22 A 22 GLY G S t < TS+ 0 0 81.9 3.4 178.3 130.7 82.7 59.4 19 -1.2 32 -2.9 0 0.0 24 -1.4 13 49
23 A 23 ASN N - 0 0 -94.0 84.1 -176.1 -138.6 56.9 133.3 0 0.0 0 0.0 0 0.0 0 0.0 12 43
24 A 24 SER S - 0 0 -47.5 144.8 179.4 -155.4 17.6 89.6 22 -1.4 0 0.0 0 0.0 0 0.0 12 40
25 A 25 PRO P S S S+ 0 0 -81.2 -70.0 -178.6 62.0 75.8 16.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
26 A 26 ALA A S t > TS- 0 0 -67.7 137.9 -180.0 -131.1 80.8 111.6 0 0.0 29 -1.7 0 0.0 0 0.0 6 29
27 A 27 PRO P T T 3 TS+ 0 0 -58.1 -29.8 -176.9 56.6 107.7 41.0 0 0.0 145 -0.7 0 0.0 0 0.0 10 35
28 A 28 ASN N T T 3 TS+ 0 0 -82.6 -10.0 178.9 82.3 91.4 58.3 0 0.0 0 0.0 0 0.0 0 0.0 7 35
29 A 29 PHE F S t < TS- 0 0 -99.9 117.9 -179.3 -123.4 86.4 152.6 26 -1.7 0 0.0 0 0.0 0 0.0 11 40
30 A 30 PRO P - 0 0 -62.9 132.6 175.2 -120.3 18.7 107.1 0 0.0 0 0.0 0 0.0 0 0.0 10 56
31 A 31 LYS K - 0 0 -68.2 141.4 179.5 -178.5 28.1 120.9 0 0.0 0 0.0 0 0.0 0 0.0 11 60
32 A 32 LEU L t > T + 0 0 -117.3 -14.7 179.8 115.9 42.0 59.6 22 -2.9 35 -1.7 0 0.0 0 0.0 14 63
33 A 33 ALA A T T 3 TS+ 0 0 -62.2 128.0 177.0 0.6 90.0 111.6 0 0.0 0 0.0 0 0.0 0 0.0 14 53
34 A 34 GLY G T T 3 TS+ 0 0 74.1 3.2 176.6 140.8 93.4 58.9 85 -2.2 0 0.0 0 0.0 0 0.0 10 51
35 A 35 GLN Q t < T - 0 0 -70.8 153.6 -179.4 -82.6 65.4 117.4 32 -1.7 0 0.0 0 0.0 0 0.0 12 58
36 A 36 GLY G h > T - 0 0 -62.2 141.0 -178.9 -135.3 30.8 107.4 0 0.0 40 -2.7 0 0.0 0 0.0 14 49
37 A 37 GLU E H H > TS+ 0 0 -62.8 -42.5 -178.4 50.3 102.7 28.2 0 0.0 41 -3.1 0 0.0 0 0.0 12 48
38 A 38 ARG R H H > TS+ 0 0 -64.6 -42.5 177.9 45.7 113.5 26.3 0 0.0 42 -2.3 0 0.0 0 0.0 10 42
39 A 39 TYR Y H H > TS+ 0 0 -64.8 -49.8 178.6 49.2 113.9 18.7 0 0.0 43 -2.8 0 0.0 0 0.0 12 49
40 A 40 LEU L H H X TS+ 0 0 -55.1 -51.3 -179.2 47.7 112.0 16.6 36 -2.7 44 -2.4 0 0.0 0 0.0 12 57
41 A 41 LEU L H H X TS+ 0 0 -58.1 -43.5 178.1 52.0 111.5 23.2 37 -3.1 45 -1.8 0 0.0 0 0.0 12 51
42 A 42 LYS K H H X TS+ 0 0 -58.2 -47.1 178.2 46.9 110.0 23.3 38 -2.3 46 -2.1 0 0.0 0 0.0 8 49
43 A 43 GLN Q H H X TS+ 0 0 -63.6 -34.2 178.0 58.7 107.8 32.1 39 -2.8 47 -2.9 0 0.0 0 0.0 9 53
44 A 44 LEU L H H X TS+ 0 0 -63.5 -36.2 177.1 41.7 110.3 28.6 40 -2.4 48 -2.3 0 0.0 0 0.0 10 58
45 A 45 GLN Q H H X TS+ 0 0 -78.0 -40.2 179.6 48.7 115.4 29.8 41 -1.8 49 -2.9 0 0.0 0 0.0 11 44
46 A 46 ASP D H H X TS+ 0 0 -63.4 -42.1 179.9 45.1 116.1 25.0 42 -2.1 50 -2.8 0 0.0 61 -2.8 13 44
47 A 47 ILE I H H X TS+ 0 0 -68.6 -44.2 178.5 47.9 114.1 21.7 43 -2.9 51 -2.8 0 0.0 0 0.0 14 47
48 A 48 LYS K H H < TS+ 0 0 -62.1 -44.9 179.3 46.1 115.5 20.0 44 -2.3 0 0.0 0 0.0 0 0.0 14 44
49 A 49 ALA A H H < > TS+ 0 0 -62.2 -49.0 -176.3 35.3 121.5 22.1 45 -2.9 52 -0.5 0 0.0 0 0.0 12 37
50 A 50 GLY G H H < 3 TS+ 0 0 -81.1 -24.0 -175.3 51.0 116.9 40.3 46 -2.8 0 0.0 0 0.0 0 0.0 15 34
51 A 51 SER S T h < 3 TS+ 0 0 -98.9 8.2 178.3 122.3 75.9 76.5 47 -2.8 68 -2.1 0 0.0 0 0.0 15 35
52 A 52 THR T S t X TS- 0 0 -71.1 137.5 -179.4 -107.8 76.9 123.5 49 -0.5 55 -2.5 0 0.0 0 0.0 12 31
53 A 53 PRO P T T 3 TS+ 0 0 -33.0 -54.9 179.6 30.8 114.8 38.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
54 A 54 GLY G T T 3 TS+ 0 0 -102.1 35.8 -175.9 157.4 90.4 92.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
55 A 55 ALA A t < T - 0 0 -65.1 141.1 179.1 -115.6 42.4 101.6 52 -2.5 0 0.0 0 0.0 0 0.0 9 25
56 A 56 PRO P t > T - 0 0 -78.0 149.6 -175.6 -90.0 41.9 121.0 0 0.0 59 -1.5 0 0.0 0 0.0 6 22
57 A 57 GLU E T T 3 TS+ 0 0 -63.9 122.5 178.8 10.7 105.8 111.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
58 A 58 GLY G T T 3 TS+ 0 0 90.7 2.1 178.7 128.9 91.8 62.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
59 A 59 VAL V S t < TS- 0 0 -91.8 138.0 177.7 -31.9 74.4 136.9 56 -1.5 0 0.0 0 0.0 0 0.0 10 31
60 A 60 GLY G S S S- 0 0 57.4 -147.2 179.8 -48.8 101.5 96.0 0 0.0 0 0.0 0 0.0 0 0.0 13 40
61 A 61 ARG R - 0 0 -127.2 118.7 179.3 -142.3 52.2 173.1 46 -2.8 63 -0.6 0 0.0 0 0.0 15 46
62 A 62 LYS K + 0 0 -88.4 121.4 178.2 175.3 21.7 140.1 0 0.0 64 -0.5 0 0.0 0 0.0 11 39
63 A 63 VAL V g > T - 0 0 -123.2 104.0 -179.4 -167.4 12.2 163.6 61 -0.6 66 -1.5 0 0.0 0 0.0 9 43
64 A 64 LEU L G G > TS+ 0 0 -67.2 -20.2 177.9 63.8 85.8 46.8 62 -0.5 67 -0.7 0 0.0 0 0.0 6 33
65 A 65 GLU E G G 3 TS+ 0 0 -79.7 -1.6 -177.0 41.1 111.0 61.6 0 0.0 0 0.0 0 0.0 0 0.0 4 28
66 A 66 MET M G G X TS+ 0 0 -131.2 15.2 178.7 158.4 79.5 80.6 63 -1.5 69 -2.0 0 0.0 0 0.0 9 37
67 A 67 THR T T g < TS- 0 0 -46.9 127.9 178.8 -11.8 77.4 97.1 64 -0.7 0 0.0 0 0.0 0 0.0 11 32
68 A 68 GLY G T T 3 TS+ 0 0 57.2 9.6 -177.9 118.9 101.7 56.9 51 -2.1 0 0.0 0 0.0 0 0.0 9 30
69 A 69 MET M S t < TS+ 0 0 -76.5 -28.8 -177.4 38.5 76.5 36.3 66 -2.0 0 0.0 0 0.0 0 0.0 8 39
70 A 70 LEU L S t > TS+ 0 0 -100.5 -4.3 -178.7 99.3 88.3 59.8 0 0.0 73 -1.3 0 0.0 0 0.0 11 44
71 A 71 ASP D T T 3 TS+ 0 0 -55.4 -33.2 -179.8 45.5 82.4 45.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
72 A 72 PRO P T T 3 TS+ 0 0 -91.5 -2.3 -179.4 95.5 93.9 57.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
73 A 73 LEU L t < T - 0 0 -86.7 139.5 178.7 -137.4 69.6 128.9 70 -1.3 0 0.0 0 0.0 0 0.0 8 36
74 A 74 SER S h > T - 0 0 -87.7 171.4 -179.4 -101.4 29.7 120.4 0 0.0 78 -2.2 0 0.0 0 0.0 7 30
75 A 75 ASP D H H > TS+ 0 0 -65.7 -27.2 176.0 53.9 125.5 36.3 0 0.0 79 -1.7 0 0.0 0 0.0 7 34
76 A 76 GLN Q H H > TS+ 0 0 -71.2 -37.9 178.0 53.4 106.2 29.5 0 0.0 80 -2.2 0 0.0 0 0.0 8 33
77 A 77 ASP D H H > TS+ 0 0 -59.2 -48.8 177.3 49.8 108.1 18.7 0 0.0 81 -2.5 0 0.0 0 0.0 10 39
78 A 78 LEU L H H X TS+ 0 0 -58.3 -37.4 177.6 54.2 108.6 29.9 74 -2.2 82 -2.7 0 0.0 0 0.0 13 47
79 A 79 GLU E H H X TS+ 0 0 -64.5 -42.1 -179.6 46.4 109.0 23.5 75 -1.7 83 -2.2 0 0.0 0 0.0 14 42
80 A 80 ASP D H H X TS+ 0 0 -66.9 -37.6 179.2 51.7 112.4 25.5 76 -2.2 84 -1.9 0 0.0 0 0.0 16 45
81 A 81 ILE I H H X TS+ 0 0 -63.7 -43.4 178.3 46.2 111.3 23.1 77 -2.5 85 -2.2 0 0.0 0 0.0 17 56
82 A 82 ALA A H H X TS+ 0 0 -66.6 -38.3 178.0 50.6 112.6 30.1 78 -2.7 86 -2.0 0 0.0 0 0.0 16 59
83 A 83 ALA A H H X TS+ 0 0 -68.5 -31.1 178.7 53.4 109.8 34.9 79 -2.2 87 -0.8 0 0.0 0 0.0 14 45
84 A 84 TYR Y H H < TS+ 0 0 -68.2 -52.5 179.8 35.6 114.9 20.5 80 -1.9 0 0.0 0 0.0 0 0.0 15 46
85 A 85 PHE F H H < > TS+ 0 0 -66.8 -45.6 179.1 60.1 112.7 18.2 81 -2.2 88 -2.5 0 0.0 34 -2.2 15 55
86 A 86 SER S H H < 3 TS+ 0 0 -52.5 -30.2 -179.1 52.8 103.1 40.5 82 -2.0 0 0.0 0 0.0 0 0.0 14 56
87 A 87 SER S T h < 3 TS+ 0 0 -87.4 -6.0 178.0 96.4 90.1 56.3 83 -0.8 0 0.0 0 0.0 0 0.0 9 39
88 A 88 GLN Q S t < TS- 0 0 -79.6 150.1 178.2 -114.0 81.9 118.1 85 -2.5 0 0.0 0 0.0 0 0.0 10 38
89 A 89 LYS K - 0 0 -88.6 132.1 -179.3 -127.0 31.2 139.5 0 0.0 0 0.0 0 0.0 0 0.0 8 33
90 A 90 GLY G - 0 0 -78.9 148.7 176.6 -128.8 12.0 116.9 0 0.0 0 0.0 0 0.0 0 0.0 12 45
91 A 91 SER S - 0 0 -88.3 151.4 174.9 -130.7 22.2 128.8 0 0.0 0 0.0 0 0.0 0 0.0 7 41
92 A 92 VAL V - 0 0 -101.0 150.3 179.1 -155.6 19.8 141.1 0 0.0 0 0.0 0 0.0 0 0.0 11 39
93 A 93 GLY G - 0 0 -107.5 -164.8 -177.9 -90.2 23.4 112.4 187 -1.5 0 0.0 0 0.0 0 0.0 10 43
94 A 94 TYR Y - 0 0 -116.0 137.2 177.5 -148.9 22.9 152.6 0 0.0 96 -0.5 0 0.0 0 0.0 8 33
95 A 95 ALA A - 0 0 -105.4 128.1 178.3 -126.2 23.2 156.1 0 0.0 0 0.0 0 0.0 0 0.0 12 39
96 A 96 ASP D h > > T - 0 0 -72.5 118.8 -179.9 -143.4 11.6 132.8 94 -0.5 100 -3.2 0 0.0 99 -1.9 8 29
97 A 97 PRO P H H > 3 TS+ 0 0 -52.7 -30.7 178.9 66.4 99.0 38.1 0 0.0 101 -0.9 0 0.0 0 0.0 6 23
98 A 98 ALA A H H 4 3 TS+ 0 0 -59.7 -37.8 -178.1 18.2 119.5 30.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
99 A 99 LEU L H H > X TS+ 0 0 -103.7 -34.2 -176.4 79.4 107.8 41.0 96 -1.9 103 -1.7 0 0.0 102 -1.3 13 32
100 A 100 ALA A H H X 3 TS+ 0 0 -46.6 -40.6 -179.2 62.5 86.6 37.9 96 -3.2 104 -3.3 0 0.0 0 0.0 13 37
101 A 101 LYS K H H X 3 TS+ 0 0 -58.7 -42.0 177.8 38.3 109.2 28.9 97 -0.9 105 -1.5 0 0.0 0 0.0 10 29
102 A 102 GLN Q H H > < TS+ 0 0 -79.5 -26.7 178.0 55.2 115.5 41.0 99 -1.3 106 -1.9 0 0.0 0 0.0 10 34
103 A 103 GLY G H H X TS+ 0 0 -68.9 -46.5 178.0 48.7 107.1 21.3 99 -1.7 107 -2.9 0 0.0 0 0.0 16 48
104 A 104 GLU E H H X TS+ 0 0 -57.7 -47.2 177.6 51.5 110.6 20.3 100 -3.3 108 -2.8 0 0.0 0 0.0 10 46
105 A 105 LYS K H H X >TS+ 0 0 -54.8 -48.8 179.4 42.4 114.6 22.7 101 -1.5 109 -2.2 0 0.0 110 -0.5 9 37
106 A 106 LEU L H H X 5TS+ 0 0 -67.0 -37.0 -177.2 52.0 114.5 26.8 102 -1.9 110 -1.6 0 0.0 0 0.0 13 48
107 A 107 PHE F H H < 5TS+ 0 0 -67.1 -44.1 -179.0 31.8 120.2 24.4 103 -2.9 119 -2.6 0 0.0 120 -1.2 11 55
108 A 108 ARG R H H < 5TS+ 0 0 -86.1 -28.9 -177.1 24.6 134.6 43.8 104 -2.8 0 0.0 0 0.0 0 0.0 10 37
109 A 109 GLY G H H < 5TS- 0 0 -114.3 -15.8 -177.8 -163.6 81.1 51.9 105 -2.2 0 0.0 0 0.0 0 0.0 10 34
110 A 110 GLY G h < >T - 116 0 -132.8 79.5 -179.1 -177.9 51.6 133.8 116 -2.1 114 -2.5 0 0.0 116 -2.0 10 31
112 A 112 LEU L G G >5TS+ 0 0 -45.9 -43.1 179.1 57.9 83.2 34.4 0 0.0 115 -0.7 0 0.0 0 0.0 8 22
113 A 113 ASP D G G 35TS+ 0 0 -61.3 -25.1 179.1 41.0 111.9 46.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
114 A 114 GLN Q G G <5TS- 0 0 -96.7 -10.2 -174.4 -118.0 114.8 61.1 111 -2.5 0 0.0 0 0.0 0 0.0 6 18
115 A 115 GLY G T g <5T + 0 0 71.2 34.5 176.1 147.0 65.8 27.5 112 -0.7 0 0.0 0 0.0 0 0.0 6 22
116 A 116 MET M B B A > TS+ 0 0 -94.0 -15.7 -176.4 81.5 95.0 50.0 107 -2.6 123 -2.8 0 0.0 122 -0.6 13 50
120 A 120 THR T H H > 3 TS+ 0 0 -63.6 -29.7 -180.0 65.6 79.2 40.9 107 -1.2 124 -1.2 0 0.0 0 0.0 11 38
121 A 121 GLY G H H 4 3 TS+ 0 0 -60.7 -42.9 -179.5 17.7 121.0 24.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
122 A 122 CYS C H H 4 < TS+ 0 0 -101.2 -27.5 -177.0 40.0 133.8 43.7 119 -0.6 0 0.0 0 0.0 0 0.0 8 38
123 A 123 HIS H H H < TS- 0 0 -106.6 7.3 179.7 -120.5 107.8 68.2 119 -2.8 129 -2.1 0 0.0 0 0.0 15 45
124 A 124 ALA A h < > T - 0 0 65.9 149.8 -180.0 -77.8 30.3 62.6 120 -1.2 127 -2.6 0 0.0 0 0.0 11 35
125 A 125 PRO P T T 3 TS+ 0 0 -44.1 -42.0 -177.2 35.9 133.5 34.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
126 A 126 ASN N T T 3 TS- 0 0 -107.0 25.6 177.4 -109.2 116.3 91.9 0 0.0 0 0.0 0 0.0 0 0.0 9 43
127 A 127 GLY G S t < TS+ 0 0 58.8 22.9 178.5 132.4 77.4 49.8 124 -2.6 138 -3.6 0 0.0 139 -2.0 13 50
128 A 128 VAL V - 0 0 -80.5 -5.3 -179.6 -144.2 56.4 53.0 0 0.0 0 0.0 0 0.0 0 0.0 12 46
129 A 129 GLY G - 0 0 73.6 -174.0 -179.8 -79.9 20.1 97.6 123 -2.1 0 0.0 0 0.0 0 0.0 13 41
130 A 130 ASN N B B > B >T - 135 0 -133.1 98.1 -177.1 -172.2 38.8 155.6 135 -2.4 135 -3.0 0 0.0 134 -1.3 13 29
131 A 131 ASP D T T 4 5TS+ 0 0 -57.8 -50.8 -177.8 50.2 83.4 25.2 0 0.0 0 0.0 0 0.0 0 0.0 12 35
132 A 132 LEU L T T 4 5TS+ 0 0 -62.7 -34.4 177.6 41.1 117.3 32.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
133 A 133 ALA A T T 4 5TS- 0 0 -85.8 -17.5 -179.9 -119.4 114.2 48.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
134 A 134 GLY G T T < 5T + 0 0 86.0 23.6 177.4 149.2 59.9 39.7 130 -1.3 0 0.0 0 0.0 0 0.0 10 37
135 A 135 PHE F B B B T + 0 0 -118.8 -31.9 -176.0 110.8 35.6 48.5 127 -3.6 141 -1.6 0 0.0 0 0.0 12 65
139 A 139 GLY G T T 3 TS+ 0 0 -56.1 133.9 178.5 11.6 85.1 98.7 127 -2.0 0 0.0 0 0.0 0 0.0 13 56
140 A 140 GLY G T T 3 TS+ 0 0 82.7 0.3 179.4 143.0 88.1 61.3 186 -3.1 0 0.0 0 0.0 0 0.0 14 54
141 A 141 GLN Q t < T - 0 0 -73.4 151.0 178.8 -88.9 64.1 115.5 138 -1.6 0 0.0 0 0.0 0 0.0 13 57
142 A 142 HIS H h > > T - 0 0 -61.9 131.6 -175.4 -136.6 32.9 116.4 0 0.0 146 -2.4 0 0.0 145 -0.8 14 52
143 A 143 ALA A H H > 3 TS+ 0 0 -60.8 -40.9 -178.9 55.7 101.9 33.8 0 0.0 147 -3.3 0 0.0 0 0.0 12 51
144 A 144 ALA A H H > 3 TS+ 0 0 -62.7 -33.9 -178.8 46.4 110.5 29.8 0 0.0 148 -1.8 0 0.0 0 0.0 9 40
145 A 145 TYR Y H H > < TS+ 0 0 -73.7 -47.1 178.9 45.8 114.7 16.1 142 -0.8 149 -2.0 27 -0.7 0 0.0 12 44
146 A 146 THR T H H X TS+ 0 0 -59.7 -43.2 -180.0 53.0 111.3 23.6 142 -2.4 150 -2.4 0 0.0 0 0.0 10 57
147 A 147 ALA A H H X TS+ 0 0 -58.9 -44.4 -179.2 50.4 109.1 20.0 143 -3.3 151 -2.2 0 0.0 0 0.0 12 50
148 A 148 LYS K H H X TS+ 0 0 -61.7 -41.3 -179.1 49.2 109.5 30.4 144 -1.8 152 -2.5 0 0.0 0 0.0 8 45
149 A 149 GLN Q H H X TS+ 0 0 -64.0 -49.7 175.9 49.1 111.4 17.0 145 -2.0 153 -2.8 0 0.0 0 0.0 9 52
150 A 150 LEU L H H X TS+ 0 0 -54.4 -42.6 178.0 46.5 114.0 28.4 146 -2.4 154 -1.9 0 0.0 0 0.0 11 55
151 A 151 THR T H H X TS+ 0 0 -67.2 -42.5 -179.0 50.2 112.8 24.4 147 -2.2 155 -2.6 0 0.0 0 0.0 11 36
152 A 152 ASP D H H < >TS+ 0 0 -64.3 -42.0 178.6 50.3 109.0 31.8 148 -2.5 157 -2.2 0 0.0 158 -1.6 10 39
153 A 153 PHE F H H < >5TS+ 0 0 -61.6 -43.1 -178.1 48.0 113.5 19.9 149 -2.8 156 -0.8 0 0.0 0 0.0 14 38
154 A 154 ARG R H H < 35TS+ 0 0 -64.8 -45.7 -179.1 43.8 113.6 26.7 150 -1.9 0 0.0 0 0.0 0 0.0 13 32
155 A 155 GLU E T h < 35TS- 0 0 -80.2 -0.3 -178.6 -115.6 115.3 64.1 151 -2.6 0 0.0 0 0.0 0 0.0 8 28
156 A 156 GLY G T T <5TS+ 0 0 73.1 17.5 179.0 127.7 80.5 46.6 153 -0.8 0 0.0 0 0.0 0 0.0 8 32
157 A 157 ASN N t T + 0 0 -129.6 10.4 179.9 104.9 40.0 72.5 157 -0.5 162 -0.6 0 0.0 0 0.0 12 40
160 A 160 ASN N T T 3 T + 0 0 -81.6 24.7 -178.9 94.7 55.9 81.3 0 0.0 0 0.0 0 0.0 0 0.0 7 44
161 A 161 ASP D T T 3>TS- 0 0 -99.0 10.4 174.7 -121.0 88.4 79.0 0 0.0 166 -1.0 0 0.0 0 0.0 10 44
162 A 162 GLY G T T <5T - 0 0 92.5 -173.9 -177.9 -47.6 36.7 98.1 159 -0.6 0 0.0 0 0.0 0 0.0 7 27
163 A 163 ASP D T T 5TS+ 0 0 -75.3 -31.5 174.0 51.9 134.0 42.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
164 A 164 THR T T T 5TS- 0 0 -72.0 -20.1 -175.6 -150.1 97.5 44.5 0 0.0 0 0.0 0 0.0 0 0.0 5 17
165 A 165 MET M T h > 5T - 0 0 43.2 54.2 179.7 -179.9 22.9 22.9 0 0.0 169 -1.9 0 0.0 0 0.0 9 30
166 A 166 ILE I H H > TS+ 0 0 -82.8 -30.0 178.1 56.8 111.4 36.1 0 0.0 171 -3.0 0 0.0 0 0.0 9 46
168 A 168 ARG R H H > TS+ 0 0 -67.6 -32.0 179.5 45.9 110.4 31.2 0 0.0 172 -1.2 0 0.0 0 0.0 12 35
169 A 169 GLY G H H < TS+ 0 0 -78.7 -31.4 177.2 44.2 117.0 38.1 165 -1.9 0 0.0 0 0.0 0 0.0 9 36
170 A 170 VAL V H H < > TS+ 0 0 -75.2 -52.5 -179.3 46.6 115.6 19.1 166 -0.9 173 -1.6 0 0.0 0 0.0 10 48
171 A 171 ALA A H H < > TS+ 0 0 -61.7 -27.7 -178.2 75.6 95.9 39.7 167 -3.0 174 -2.1 0 0.0 0 0.0 11 48
172 A 172 ALA A T h < 3 TS+ 0 0 -60.2 -21.7 177.0 50.8 94.9 44.4 168 -1.2 0 0.0 0 0.0 0 0.0 9 40
173 A 173 LYS K T T < TS+ 0 0 -95.9 5.2 179.1 102.9 91.3 71.9 170 -1.6 0 0.0 0 0.0 0 0.0 9 37
174 A 174 LEU L t < T - 0 0 -91.9 141.6 176.7 -151.4 57.4 133.4 171 -2.1 0 0.0 0 0.0 0 0.0 9 45
175 A 175 SER S h > T - 0 0 -100.0 169.9 178.0 -102.1 34.7 127.9 0 0.0 179 -2.9 0 0.0 0 0.0 6 34
176 A 176 ASN N H H > TS+ 0 0 -59.1 -37.6 178.5 48.1 126.5 33.5 0 0.0 180 -1.9 0 0.0 0 0.0 7 31
177 A 177 LYS K H H > TS+ 0 0 -70.0 -38.2 178.3 52.5 110.3 33.2 0 0.0 181 -2.6 0 0.0 0 0.0 6 35
178 A 178 ASP D H H > TS+ 0 0 -58.5 -54.6 -178.8 45.6 111.6 14.3 0 0.0 182 -3.0 0 0.0 0 0.0 11 46
179 A 179 ILE I H H X TS+ 0 0 -57.6 -40.8 179.1 49.8 113.4 29.7 175 -2.9 183 -3.1 0 0.0 0 0.0 12 52
180 A 180 GLU E H H X TS+ 0 0 -67.0 -43.9 178.9 45.4 113.4 22.9 176 -1.9 184 -1.7 0 0.0 0 0.0 12 44
181 A 181 ALA A H H X TS+ 0 0 -65.1 -42.5 179.3 45.8 117.0 23.7 177 -2.6 185 -2.0 0 0.0 0 0.0 13 49
182 A 182 LEU L H H X TS+ 0 0 -65.2 -51.5 -179.5 50.7 110.6 21.9 178 -3.0 186 -2.4 0 0.0 0 0.0 16 61
183 A 183 SER S H H X TS+ 0 0 -57.6 -35.7 -179.6 48.9 112.3 28.9 179 -3.1 187 -1.2 0 0.0 0 0.0 14 60
184 A 184 SER S H H X TS+ 0 0 -72.1 -43.6 178.4 46.8 112.0 22.7 180 -1.7 188 -0.5 0 0.0 0 0.0 15 48
185 A 185 TYR Y H H < > TS+ 0 0 -63.7 -42.5 179.3 52.8 110.5 30.0 181 -2.0 188 -0.9 0 0.0 0 0.0 15 53
186 A 186 ILE I H H < > TS+ 0 0 -64.9 -28.5 179.4 65.3 99.3 36.4 182 -2.4 140 -3.1 0 0.0 189 -0.7 15 61
187 A 187 GLN Q H H < 3 TS+ 0 0 -68.4 -23.7 179.0 35.1 110.4 43.7 183 -1.2 93 -1.5 0 0.0 0 0.0 16 59
188 A 188 GLY G T h < < TS+ 0 0 -109.9 4.6 -179.5 116.3 92.2 70.3 185 -0.9 0 0.0 184 -0.5 0 0.0 12 43
189 A 189 LEU L t < T 0 0 -75.4 133.6 179.4 999.9 999.9 120.5 186 -0.7 0 0.0 0 0.0 0 0.0 13 48
190 A 190 HIS H 0 0 -150.8 999.9 999.9 999.9 999.9 64.2 0 0.0 0 0.0 0 0.0 0 0.0 8 38
1etpA.pdb
1ETP ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHTTS GGGHHHH TTS SSTTS TT HHHHHHHHHHHHHHTSTT TTSS GGGTTSSTT HHHHHHHHHHHHTS HHHH Kabs/Sand
chirality --++++++++++++++--+-+--+-++---+++--+++++++++++++++-++--++---+-+++-+++++--+++++++++++++---------++++ chirality
bends SSSSSSS SSSSSSS SSS SSSSS SS SSSSSSSSSSSSSSSSSS SSSS SSSSSSSSS SSSSSSSSSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >>3<<>>3X<3< >33< >33< >33< >33X33<>33< >>3X<3<>33< >33< >33X3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>44<< >44>X44<< >>>>XXXXXXXX<<<< >>>>XXXXXX<<<< >>4>X 4-turns
summary hHHHHhGggGGhHHHHhTTt StTTt tTTthHHHHHHHHHHHHHHhtTTttTTtS gGGGgTttTTthHHHHHHHHHHHHht hHHHH summary
sequence AGDAEAGQGKVAVCGACHGVDGNSPAPNFPKLAGQGERYLLKQLQDIKAGSTPGAPEGVGRKVLEMTGMLDPLSDQDLEDIAAYFSSQKGSVGYADPALA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHH BGGGTB SHHHH TTS BTTTTB TT HHHHHHHHHHHHTT TTTTTTHHHHHHTT HHHHHHHHHHHHT Kabs/Sand
chirality ++++++++---++-+---++++--+-+---++-+--++++--++++++++++++-+++++--+--++++++++--+++++++++++++ chirality
bends SSSSSSSSS SSS SSSSS SSS SSS SS SSSSSSSSSSSSSS S SS SSSSSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTT TTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555<>5555< >5555< >5555< >5555< 5-turns
3-turns 3< >>3<< >33< >33< >33<>33< >33< >33< >>3<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 A A B B bridge-1
sheets sheets
4-turns X>XXXX<<<< >>44<< >444< >>>>XXXXXX<<<< >>>><<<< >>>>XXXXXX<<<< 4-turns
summary HHHHHHHHHhBGGGgB hHHHHhTTt BTTTTB tTTthHHHHHHHHHHHHhTt tTTTTThHHHHHHhTthHHHHHHHHHHHHht summary
sequence KQGEKLFRGGKLDQGMPACTGCHAPNGVGNDLAGFPKLGGQHAAYTAKQLTDFREGNRTNDGDTMIMRGVAAKLSNKDIEALSSYIQGLH sequence
110 120 130 140 150 160 170 180 190