Secondary structure calculation program - copyright by David Keith Smith, 1989
1be3D.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 241
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 D 1 SER S 0 0 999.9 52.3 -175.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 11
2 D 2 ASP D - 0 0 -101.3 134.3 179.4 -108.2 999.9 146.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
3 D 3 LEU L - 0 0 -54.5 150.4 178.0 -148.0 31.0 107.9 0 0.0 0 0.0 0 0.0 0 0.0 5 15
4 D 4 GLU E - 0 0 -119.9 130.3 -178.4 -143.3 8.7 161.8 0 0.0 0 0.0 0 0.0 0 0.0 10 26
5 D 5 LEU L + 0 0 -89.2 45.1 -179.4 141.2 51.6 81.3 151 -0.6 0 0.0 0 0.0 0 0.0 7 32
6 D 6 HIS H + 0 0 -60.3 -16.3 -179.9 108.0 29.4 49.9 0 0.0 0 0.0 0 0.0 0 0.0 7 33
7 D 7 PRO P + 0 0 -41.0 -25.9 179.2 138.6 39.8 65.3 0 0.0 0 0.0 0 0.0 0 0.0 4 24
8 D 8 PRO P - 0 0 -29.6 132.9 175.7 -178.4 27.5 76.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
9 D 9 SER S - 0 0 -136.2 64.9 -177.1 -155.3 22.3 127.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
10 D 10 TYR Y - 0 0 -52.0 122.9 164.0 -115.5 17.3 102.4 0 0.0 0 0.0 0 0.0 0 0.0 6 34
11 D 11 PRO P + 0 0 -40.6 142.0 -178.6 179.0 47.6 105.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
12 D 12 TRP W - 0 0 -154.7 170.1 -174.3 -126.2 44.8 167.3 0 0.0 0 0.0 0 0.0 0 0.0 5 38
13 D 13 SER S S S S+ 0 0 -97.7 -12.2 178.4 39.7 114.1 55.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
14 D 14 HIS H S S S+ 0 0 -125.8 34.1 -178.8 110.6 79.2 98.1 0 0.0 0 0.0 0 0.0 0 0.0 10 39
15 D 15 ARG R + 0 0 -77.2 -29.1 -177.2 82.1 64.5 38.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
16 D 16 GLY G S S S- 0 0 -83.5 153.6 179.8 -115.7 88.8 117.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
17 D 17 LEU L S S S+ 0 0 -50.7 -45.9 178.2 31.9 120.7 31.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
18 D 18 LEU L S S S+ 0 0 -88.2 -16.5 -178.4 113.8 96.2 48.2 0 0.0 0 0.0 0 0.0 0 0.0 9 24
19 D 19 SER S - 0 0 -60.3 128.2 -177.3 -160.7 50.4 107.0 0 0.0 0 0.0 0 0.0 0 0.0 9 26
20 D 20 SER S - 0 0 -112.3 168.5 178.9 -80.1 25.2 131.1 0 0.0 0 0.0 0 0.0 0 0.0 10 33
21 D 21 LEU L - 0 0 -63.9 143.2 173.1 -135.0 33.2 109.5 0 0.0 23 -1.0 0 0.0 0 0.0 11 45
22 D 22 ASP D h > T - 0 0 -94.2 95.2 -176.9 -164.1 15.6 141.0 0 0.0 26 -1.8 0 0.0 0 0.0 9 42
23 D 23 HIS H H H > TS+ 0 0 -55.2 -37.2 177.5 65.1 85.1 32.1 21 -1.0 27 -4.3 0 0.0 0 0.0 9 44
24 D 24 THR T H H > TS+ 0 0 -46.7 -51.5 171.4 44.3 108.5 14.7 0 0.0 28 -2.8 0 0.0 0 0.0 8 41
25 D 25 SER S H H > TS+ 0 0 -52.8 -44.3 178.4 50.9 112.5 30.5 0 0.0 29 -2.7 0 0.0 0 0.0 12 48
26 D 26 ILE I H H X TS+ 0 0 -56.3 -50.9 177.3 48.2 111.7 16.6 22 -1.8 30 -1.0 0 0.0 0 0.0 15 54
27 D 27 ARG R H H X > TS+ 0 0 -50.5 -61.3 174.4 44.5 114.9 18.2 23 -4.3 31 -1.5 0 0.0 30 -1.2 13 49
28 D 28 ARG R H H X > TS+ 0 0 -45.5 -69.2 -179.6 50.5 112.6 15.0 24 -2.8 32 -1.6 0 0.0 31 -1.0 13 52
29 D 29 GLY G H H X 3 TS+ 0 0 -48.0 -23.9 177.8 61.1 103.7 56.5 25 -2.7 33 -1.4 0 0.0 0 0.0 17 60
30 D 30 PHE F H H X < TS+ 0 0 -68.5 -51.6 179.0 47.8 103.8 22.0 27 -1.2 34 -3.1 26 -1.0 0 0.0 11 65
31 D 31 GLN Q H H X < TS+ 0 0 -54.5 -51.6 173.2 56.6 108.7 9.5 27 -1.5 35 -2.6 28 -1.0 0 0.0 10 57
32 D 32 VAL V H H X >TS+ 0 0 -42.0 -53.2 -178.0 43.6 110.5 36.5 28 -1.6 36 -1.3 0 0.0 37 -0.8 13 57
33 D 33 TYR Y H H X >TS+ 0 0 -62.5 -46.7 -176.2 50.0 114.9 9.8 29 -1.4 38 -3.4 0 0.0 37 -2.2 10 65
34 D 34 LYS K H H < 5TS+ 0 0 -60.9 -38.6 -178.0 25.1 124.7 38.2 30 -3.1 0 0.0 0 0.0 0 0.0 9 56
35 D 35 GLN Q H H < 5TS+ 0 0 -93.2 -54.6 -179.4 31.6 133.3 28.0 31 -2.6 0 0.0 0 0.0 0 0.0 9 44
36 D 36 VAL V H H < 5TS+ 0 0 -72.6 -26.0 -167.5 20.9 134.4 45.7 32 -1.3 0 0.0 0 0.0 0 0.0 12 44
37 D 37 CYS C T h X > T + 0 0 -148.4 75.1 -168.6 172.1 20.2 125.5 0 0.0 46 -0.9 0 0.0 91 -0.6 12 55
44 D 44 ASP D T T 3 TS+ 0 0 -63.0 -40.9 -178.1 48.1 75.2 36.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
45 D 45 TYR Y T T 3 TS+ 0 0 -78.6 -5.9 178.8 101.3 91.6 56.4 0 0.0 47 -0.8 0 0.0 0 0.0 7 34
46 D 46 VAL V t < T - 0 0 -83.6 110.1 177.2 -175.5 52.6 131.4 43 -0.9 91 -2.2 0 0.0 0 0.0 10 46
47 D 47 ALA A B B A - 90 0 -87.0 -173.9 178.3 -93.7 49.3 119.6 45 -0.8 0 0.0 0 0.0 0 0.0 10 48
48 D 48 TYR Y S S S+ 0 0 -84.9 11.8 176.8 129.0 86.3 66.9 87 -0.7 50 -2.0 89 -0.7 0 0.0 13 53
49 D 49 ARG R + 0 0 -68.8 68.2 175.5 115.8 18.0 111.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
50 D 50 HIS H t > >T + 0 0 -100.0 -29.2 -168.0 110.7 40.2 56.9 48 -2.0 54 -5.5 0 0.0 55 -0.7 9 52
51 D 51 LEU L T T 4 5TS+ 0 0 -19.2 -73.9 -175.8 5.7 98.1 40.3 0 0.0 0 0.0 0 0.0 0 0.0 12 32
52 D 52 VAL V T T 4 5TS+ 0 0 -89.9 -20.1 -175.9 56.1 133.0 45.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
53 D 53 GLY G T T 4 5TS+ 0 0 -84.3 -17.1 -177.2 24.6 124.8 50.3 0 0.0 0 0.0 0 0.0 0 0.0 9 40
54 D 54 VAL V T T < 5TS- 0 0 -127.8 -0.2 -178.3 -114.4 105.3 76.0 50 -5.5 0 0.0 0 0.0 0 0.0 10 48
55 D 55 CYS C S t T - 0 0 -61.5 166.6 166.0 -114.8 16.6 90.6 55 -0.5 61 -3.2 0 0.0 0 0.0 9 23
58 D 58 GLU E H H > TS+ 0 0 -60.8 -41.5 177.7 41.5 127.0 27.4 0 0.0 62 -2.3 0 0.0 0 0.0 7 23
59 D 59 ASP D H H > TS+ 0 0 -73.8 -34.1 -179.0 53.2 115.6 30.8 0 0.0 63 -2.1 0 0.0 0 0.0 6 22
60 D 60 GLU E H H > TS+ 0 0 -63.3 -64.3 -178.1 31.2 118.5 3.5 0 0.0 64 -2.1 0 0.0 0 0.0 9 28
61 D 61 ALA A H H X TS+ 0 0 -69.6 -29.5 174.8 63.9 112.4 38.1 57 -3.2 65 -3.4 0 0.0 0 0.0 14 38
62 D 62 LYS K H H X TS+ 0 0 -54.5 -55.9 179.9 39.5 110.9 4.9 58 -2.3 66 -3.1 0 0.0 0 0.0 13 33
63 D 63 ALA A H H X TS+ 0 0 -59.4 -38.2 177.2 48.7 117.3 31.4 59 -2.1 67 -1.5 0 0.0 0 0.0 9 29
64 D 64 LEU L H H X TS+ 0 0 -66.0 -38.5 178.6 46.8 115.0 30.5 60 -2.1 68 -1.1 0 0.0 0 0.0 8 44
65 D 65 ALA A H H X TS+ 0 0 -66.5 -45.2 -172.8 58.3 107.2 25.1 61 -3.4 69 -2.1 0 0.0 0 0.0 13 42
66 D 66 GLU E H H X TS+ 0 0 -58.9 -45.6 -180.0 46.7 105.0 35.4 62 -3.1 70 -1.6 0 0.0 0 0.0 14 36
67 D 67 GLU E H H X TS+ 0 0 -67.7 -35.5 177.8 57.4 107.8 29.1 63 -1.5 71 -2.5 0 0.0 0 0.0 9 33
68 D 68 VAL V H H X >TS+ 0 0 -65.3 -31.0 174.4 44.2 110.8 17.6 64 -1.1 72 -2.3 0 0.0 73 -1.0 11 44
69 D 69 GLU E H H < 5TS+ 0 0 -79.8 -22.1 179.3 56.9 109.8 33.3 65 -2.1 0 0.0 0 0.0 0 0.0 14 37
70 D 70 VAL V H H < 5TS+ 0 0 -70.8 -43.9 -179.3 25.4 121.0 15.1 66 -1.6 0 0.0 0 0.0 0 0.0 10 32
71 D 71 GLN Q H H < 5TS+ 0 0 -89.8 -40.0 179.4 18.8 143.3 27.9 67 -2.5 0 0.0 0 0.0 0 0.0 6 34
72 D 72 ASP D T h X 5TS+ 0 0 -102.2 -12.8 176.3 154.3 101.8 53.3 68 -2.3 76 -0.7 0 0.0 0 0.0 9 38
73 D 73 GLY G T T 4 > 3>TS+ 0 0 -63.1 -3.6 175.5 86.6 117.0 52.4 0 0.0 79 -3.5 0 0.0 78 -3.2 12 33
75 D 75 ASN N T T 4 35TS+ 0 0 -67.3 -25.3 170.0 46.4 92.4 46.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
76 D 76 GLU E T T < <5TS+ 0 0 -94.9 3.5 176.0 45.9 116.1 74.6 73 -2.6 0 0.0 72 -0.7 0 0.0 10 32
77 D 77 ASP D T T 4 5TS- 0 0 -112.0 -27.8 -180.0 -98.4 125.3 47.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
78 D 78 GLY G T T < 5TS+ 0 0 116.6 10.5 168.1 129.6 82.0 60.2 74 -3.2 80 -1.4 0 0.0 0 0.0 6 21
79 D 79 GLU E t > > TS- 0 0 -173.5 139.2 178.2 -96.4 75.8 149.2 0 0.0 100 -2.4 0 0.0 101 -0.5 7 30
98 D 98 PRO P H H > 3 TS+ 0 0 -16.7 -58.5 -177.7 62.7 114.1 52.7 0 0.0 102 -2.0 0 0.0 0 0.0 8 28
99 D 99 GLU E H H > 3 TS+ 0 0 -47.6 -48.4 174.0 47.0 106.2 27.6 0 0.0 103 -1.0 0 0.0 0 0.0 6 22
100 D 100 ALA A H H > X TS+ 0 0 -53.1 -73.6 168.4 58.6 106.7 6.6 97 -2.4 103 -4.5 0 0.0 104 -1.2 9 23
101 D 101 ALA A H H X 3 TS+ 0 0 -18.5 -52.3 179.6 51.2 103.3 49.2 97 -0.5 105 -0.5 0 0.0 0 0.0 14 30
102 D 102 ARG R H H < 3>TS+ 0 0 -69.6 -29.0 177.8 53.4 108.1 32.7 98 -2.0 107 -2.0 0 0.0 108 -0.6 12 27
103 D 103 ALA A H H < X5TS+ 0 0 -68.7 -40.6 -178.9 52.5 105.2 21.6 100 -4.5 106 -1.2 99 -1.0 0 0.0 9 22
104 D 104 ALA A H H < 35TS+ 0 0 -66.8 -15.9 -176.7 34.0 121.8 51.5 100 -1.2 0 0.0 0 0.0 0 0.0 6 27
105 D 105 ASN N T h < >5TS- 0 0 -125.5 9.1 169.6 -108.8 120.3 82.0 101 -0.5 108 -0.6 0 0.0 0 0.0 10 33
106 D 106 ASN N T T <5TS- 0 0 62.5 70.7 175.4 -29.4 81.8 9.2 103 -1.2 0 0.0 0 0.0 0 0.0 6 24
107 D 107 GLY G T T 3 T - 0 0 -56.6 125.3 -175.3 -150.4 28.1 122.4 0 0.0 115 -0.5 0 0.0 0 0.0 10 44
113 D 113 LEU L G G > TS+ 0 0 -81.2 -15.6 173.7 97.8 73.2 40.0 42 -2.6 116 -1.0 0 0.0 0 0.0 11 55
114 D 114 SER S G G 3 TS+ 0 0 -27.8 -59.0 -169.5 12.6 104.4 39.8 42 -0.8 0 0.0 0 0.0 0 0.0 12 48
115 D 115 TYR Y G G > X TS+ 0 0 -112.0 -1.9 -175.7 119.1 88.1 62.4 112 -0.5 119 -3.6 0 0.0 118 -1.7 11 39
116 D 116 ILE I T g 4 < TS+ 0 0 -34.5 -48.7 -177.9 49.5 79.3 41.0 113 -1.0 0 0.0 0 0.0 0 0.0 12 41
117 D 117 VAL V T T 4 3 TS+ 0 0 -65.7 -37.7 179.8 35.1 121.5 28.1 0 0.0 0 0.0 0 0.0 0 0.0 13 47
118 D 118 ARG R T T 4 < TS+ 0 0 -87.6 -26.0 -177.3 53.4 118.9 40.8 115 -1.7 0 0.0 0 0.0 0 0.0 10 31
119 D 119 ALA A S t < TS+ 0 0 -75.8 -94.3 179.3 55.1 96.4 30.4 115 -3.6 0 0.0 0 0.0 0 0.0 7 26
120 D 120 ARG R S t > TS- 0 0 -37.0 146.2 174.0 -91.9 99.6 86.6 0 0.0 123 -1.2 0 0.0 0 0.0 7 32
121 D 121 HIS H T T 3 TS+ 0 0 -57.3 119.6 168.2 33.1 106.4 104.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
122 D 122 GLY G T h > > TS- 0 0 118.7 -5.2 174.4 -138.7 88.9 61.6 0 0.0 126 -1.3 0 0.0 125 -1.0 9 32
123 D 123 GLY G H H > X T - 0 0 46.9 -174.0 178.2 -19.3 63.0 67.4 120 -1.2 126 -1.7 0 0.0 127 -0.9 11 43
124 D 124 GLU E H H > 3 TS+ 0 0 -37.1 -10.9 173.2 69.1 129.0 62.9 0 0.0 128 -0.9 0 0.0 0 0.0 12 51
125 D 125 ASP D H H > < TS+ 0 0 -75.3 -54.3 174.6 38.9 105.0 23.4 122 -1.0 129 -2.9 0 0.0 0 0.0 10 45
126 D 126 TYR Y H H X < TS+ 0 0 -58.3 -55.5 -177.8 52.8 115.4 12.7 123 -1.7 130 -1.8 122 -1.3 0 0.0 12 45
127 D 127 VAL V H H X > TS+ 0 0 -49.9 -44.2 179.2 44.5 113.1 24.5 123 -0.9 131 -1.8 0 0.0 130 -0.5 10 62
128 D 128 PHE F H H X 3 TS+ 0 0 -61.8 -51.0 -178.6 48.4 114.8 8.1 124 -0.9 132 -2.6 0 0.0 0 0.0 12 54
129 D 129 SER S H H < 3 TS+ 0 0 -63.7 -19.3 174.2 51.6 110.7 56.0 125 -2.9 0 0.0 0 0.0 0 0.0 10 50
130 D 130 LEU L H H < < TS+ 0 0 -75.5 -62.1 179.0 41.1 113.7 25.3 126 -1.8 0 0.0 127 -0.5 0 0.0 12 51
131 D 131 LEU L H H < TS+ 0 0 -53.3 -42.9 -177.5 39.2 124.4 30.2 127 -1.8 0 0.0 0 0.0 0 0.0 10 55
132 D 132 THR T S h < TS+ 0 0 -88.6 -8.4 -179.7 83.2 105.0 48.0 128 -2.6 134 -0.8 0 0.0 0 0.0 10 43
133 D 133 GLY G + 0 0 -103.8 106.9 174.1 130.3 46.2 142.1 0 0.0 0 0.0 0 0.0 0 0.0 10 46
134 D 134 TYR Y + 0 0 -156.9 111.7 -167.9 162.4 25.7 148.3 132 -0.8 0 0.0 0 0.0 0 0.0 9 38
135 D 135 CYS C - 0 0 -128.8 169.0 -177.7 -68.2 43.2 138.8 149 -0.7 0 0.0 0 0.0 0 0.0 7 28
136 D 136 GLU E - 0 0 -70.9 123.6 170.1 -102.2 54.7 119.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
137 D 137 PRO P - 0 0 -34.0 147.0 -174.7 -98.8 49.5 85.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
138 D 138 PRO P t > T - 0 0 -86.8 129.7 176.2 -83.9 46.2 134.1 0 0.0 141 -2.2 0 0.0 0 0.0 5 18
139 D 139 THR T T T 3 TS+ 0 0 -25.1 129.9 177.2 21.8 118.4 86.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10
140 D 140 GLY G T T 3 TS+ 0 0 86.1 -1.1 -175.8 126.7 96.6 68.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
141 D 141 VAL V t < T - 0 0 -96.6 150.3 178.9 -151.0 44.9 124.6 138 -2.2 0 0.0 0 0.0 0 0.0 6 19
142 D 142 SER S - 0 0 -115.8 153.0 179.6 -166.6 10.4 149.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
143 D 143 LEU L - 0 0 -144.1 120.3 169.2 -139.5 19.8 149.4 0 0.0 0 0.0 0 0.0 0 0.0 8 24
144 D 144 ARG R t > T - 0 0 -64.0 140.6 -175.7 -108.7 43.3 112.5 0 0.0 147 -1.7 0 0.0 0 0.0 6 23
145 D 145 GLU E T T 3 TS+ 0 0 -43.4 -43.8 179.7 47.4 120.2 37.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
146 D 146 GLY G T T 3 TS+ 0 0 -69.7 -25.9 -179.2 78.8 97.5 38.2 0 0.0 148 -1.3 0 0.0 0 0.0 9 29
147 D 147 LEU L t < T + 0 0 -81.7 51.4 167.2 177.9 67.6 99.1 144 -1.7 0 0.0 0 0.0 0 0.0 10 32
148 D 148 TYR Y - 0 0 -42.5 147.9 -178.9 -112.5 33.9 95.6 146 -1.3 158 -2.2 0 0.0 150 -0.7 12 34
149 D 149 PHE F - 0 0 -100.9 118.1 -179.6 -177.1 35.7 142.6 0 0.0 135 -0.7 0 0.0 0 0.0 12 37
150 D 150 ASN N t > T - 0 0 -117.7 125.7 -175.6 -139.6 26.4 160.4 148 -0.7 153 -1.5 0 0.0 0 0.0 12 41
151 D 151 PRO P T T 3 TS+ 0 0 -60.0 -13.8 179.0 44.4 98.7 54.4 0 0.0 5 -0.6 0 0.0 0 0.0 12 37
152 D 152 TYR Y T T 3 TS+ 0 0 -123.8 33.0 173.6 113.2 79.0 90.3 0 0.0 0 0.0 0 0.0 0 0.0 12 42
153 D 153 PHE F t X T - 0 0 -106.1 132.3 -177.8 -127.8 67.9 159.3 150 -1.5 156 -3.4 0 0.0 0 0.0 10 39
154 D 154 PRO P T T 3 TS+ 0 0 -28.6 -66.1 -179.0 35.7 111.5 35.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
155 D 155 GLY G T T 3 TS- 0 0 -79.8 7.8 175.3 -112.0 118.3 74.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
156 D 156 GLN Q S t < TS+ 0 0 64.4 32.0 176.6 80.0 88.3 39.3 153 -3.4 0 0.0 0 0.0 0 0.0 11 34
157 D 157 ALA A - 0 0 -160.9 149.0 177.5 -174.8 51.0 167.3 0 0.0 0 0.0 0 0.0 0 0.0 11 36
158 D 158 ILE I - 0 0 -146.1 149.9 176.5 -132.2 31.1 170.9 148 -2.2 160 -0.8 0 0.0 0 0.0 10 42
159 D 159 GLY G + 0 0 -91.8 54.0 -176.2 141.9 60.1 116.8 0 0.0 161 -0.7 0 0.0 0 0.0 9 37
160 D 160 MET M - 0 0 -115.0 105.3 174.6 -154.6 40.0 140.3 158 -0.8 0 0.0 0 0.0 0 0.0 8 46
161 D 161 ALA A - 0 0 -45.1 172.3 172.9 -49.1 66.0 90.3 159 -0.7 0 0.0 0 0.0 0 0.0 6 36
162 D 162 PRO P - 0 0 -49.3 95.1 -179.1 -166.9 63.3 101.1 0 0.0 0 0.0 0 0.0 0 0.0 5 40
163 D 163 PRO P - 0 0 -49.7 -60.8 -167.3 -6.9 69.2 9.6 0 0.0 0 0.0 0 0.0 0 0.0 7 52
164 D 164 ILE I + 0 0 -147.8 127.3 177.7 177.9 69.8 172.7 0 0.0 0 0.0 0 0.0 0 0.0 11 45
165 D 165 TYR Y t > T - 0 0 -130.0 163.9 -176.4 -72.4 44.5 149.7 0 0.0 168 -0.8 0 0.0 0 0.0 8 34
166 D 166 ASN N T T 3 TS+ 0 0 -60.4 144.1 -178.7 9.3 115.9 103.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
167 D 167 GLU E T T 3 TS+ 0 0 50.6 49.3 173.7 140.9 80.9 22.7 177 -1.9 0 0.0 0 0.0 0 0.0 8 27
168 D 168 VAL V S t < TS- 0 0 -82.9 -41.0 -179.7 -4.2 73.6 35.5 165 -0.8 0 0.0 0 0.0 0 0.0 8 37
169 D 169 LEU L - 0 0 -133.1 -173.0 171.5 -121.4 69.9 152.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
170 D 170 GLU E - 0 0 -138.7 133.6 176.6 -142.2 16.2 169.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
171 D 171 PHE F - 0 0 -89.8 152.9 177.0 -120.0 22.4 126.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
172 D 172 ASP D S S S+ 0 0 -46.4 -60.6 -174.4 43.4 110.0 23.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
173 D 173 ASP D S S S- 0 0 -61.5 -49.1 176.9 -104.0 117.7 21.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
174 D 174 GLY G + 0 0 138.3 -0.8 -179.7 176.6 49.5 71.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
175 D 175 THR T - 0 0 -38.1 114.6 174.5 -102.2 45.3 89.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
176 D 176 PRO P - 0 0 -40.8 108.5 -177.6 -137.1 32.1 99.9 0 0.0 178 -1.9 0 0.0 0 0.0 5 28
177 D 177 ALA A + 0 0 -79.6 82.8 178.1 161.7 38.6 119.4 0 0.0 167 -1.9 0 0.0 0 0.0 12 35
178 D 178 THR T h > T - 0 0 -99.8 141.5 179.3 -114.4 52.6 150.4 176 -1.9 182 -3.3 0 0.0 0 0.0 9 32
179 D 179 MET M H H > TS+ 0 0 -33.9 -51.1 -178.6 34.4 121.4 39.1 0 0.0 183 -2.0 0 0.0 0 0.0 11 37
180 D 180 SER S H H > TS+ 0 0 -75.5 -44.7 176.6 55.7 114.1 24.6 0 0.0 184 -3.5 0 0.0 0 0.0 7 41
181 D 181 GLN Q H H > TS+ 0 0 -55.9 -36.5 178.9 47.3 111.8 37.8 0 0.0 185 -1.1 0 0.0 0 0.0 9 47
182 D 182 VAL V H H X TS+ 0 0 -71.4 -46.8 172.8 50.5 111.3 21.3 178 -3.3 186 -2.7 0 0.0 0 0.0 13 50
183 D 183 ALA A H H X TS+ 0 0 -54.8 -57.1 173.4 55.7 105.1 15.8 179 -2.0 187 -3.2 0 0.0 0 0.0 13 58
184 D 184 LYS K H H X TS+ 0 0 -43.4 -44.3 179.6 42.7 113.8 27.5 180 -3.5 188 -1.4 0 0.0 0 0.0 11 55
185 D 185 ASP D H H X TS+ 0 0 -73.6 -29.8 -176.9 51.0 114.4 26.9 181 -1.1 189 -1.9 0 0.0 0 0.0 15 61
186 D 186 VAL V H H X TS+ 0 0 -70.7 -49.2 176.9 49.3 108.6 27.5 182 -2.7 190 -1.1 0 0.0 0 0.0 15 66
187 D 187 CYS C H H X > TS+ 0 0 -49.2 -67.2 179.1 53.8 108.9 4.1 183 -3.2 190 -3.5 0 0.0 191 -2.1 12 66
188 D 188 THR T H H X 3 TS+ 0 0 -35.4 -65.6 178.7 50.1 106.6 32.7 184 -1.4 192 -1.8 0 0.0 0 0.0 14 58
189 D 189 PHE F H H X 3 TS+ 0 0 -48.9 -27.5 173.7 50.8 113.1 43.5 185 -1.9 193 -1.0 0 0.0 0 0.0 14 66
190 D 190 LEU L H H X < TS+ 0 0 -71.7 -51.1 177.1 56.0 103.2 27.0 187 -3.5 194 -2.5 186 -1.1 0 0.0 15 68
191 D 191 ARG R H H X TS+ 0 0 -45.8 -49.5 -177.9 46.1 111.1 28.1 187 -2.1 195 -3.0 0 0.0 0 0.0 11 60
192 D 192 TRP W H H < TS+ 0 0 -65.3 -37.4 -179.7 53.7 108.5 31.1 188 -1.8 0 0.0 0 0.0 0 0.0 12 61
193 D 193 ALA A H H < TS+ 0 0 -67.6 -37.5 175.9 45.6 112.9 26.1 189 -1.0 0 0.0 0 0.0 0 0.0 11 56
194 D 194 ALA A H H < TS+ 0 0 -67.3 -52.7 174.6 20.1 131.5 13.0 190 -2.5 0 0.0 0 0.0 0 0.0 11 45
195 D 195 GLU E h < > T + 0 0 -125.8 84.6 166.6 170.2 60.0 118.5 191 -3.0 198 -2.9 0 0.0 0 0.0 9 40
196 D 196 PRO P T T > TS+ 0 0 -39.5 -48.1 -173.9 61.8 81.7 36.5 0 0.0 199 -0.7 0 0.0 0 0.0 8 43
197 D 197 GLU E T h > 3 TS+ 0 0 -72.3 2.4 178.7 109.3 70.1 66.5 0 0.0 201 -2.1 0 0.0 0 0.0 7 37
198 D 198 HIS H H H > < TS+ 0 0 -46.1 -50.0 -178.0 38.9 81.7 29.5 195 -2.9 202 -1.3 0 0.0 0 0.0 10 39
199 D 199 ASP D H H > X TS+ 0 0 -74.4 -50.1 177.8 47.5 115.8 9.5 196 -0.7 203 -2.5 0 0.0 202 -0.6 9 36
200 D 200 HIS H H H > > TS+ 0 0 -47.2 -61.1 178.5 55.1 111.2 18.1 0 0.0 204 -2.9 0 0.0 203 -0.9 7 25
201 D 201 ARG R H H X 3 TS+ 0 0 -35.6 -52.9 -178.7 44.7 108.7 42.7 197 -2.1 205 -2.6 0 0.0 0 0.0 8 26
202 D 202 LYS K H H X < TS+ 0 0 -73.1 -32.5 174.7 52.3 111.9 36.8 198 -1.3 206 -1.5 199 -0.6 0 0.0 12 26
203 D 203 ARG R H H X X TS+ 0 0 -64.2 -50.3 179.4 49.6 110.3 4.8 199 -2.5 206 -1.9 200 -0.9 207 -1.4 9 22
204 D 204 MET M H H X 3 TS+ 0 0 -48.3 -48.1 179.4 58.1 105.0 24.1 200 -2.9 208 -3.3 0 0.0 0 0.0 8 20
205 D 205 GLY G H H X 3 TS+ 0 0 -50.5 -37.6 178.3 53.1 104.3 31.4 201 -2.6 209 -1.2 0 0.0 0 0.0 9 22
206 D 206 LEU L H H X X TS+ 0 0 -62.5 -56.6 175.9 42.6 111.4 4.4 203 -1.9 210 -2.2 202 -1.5 209 -1.1 9 21
207 D 207 LYS K H H X 3 TS+ 0 0 -58.6 -34.1 177.9 52.9 114.3 33.8 203 -1.4 211 -2.0 0 0.0 0 0.0 8 19
208 D 208 MET M H H X 3 TS+ 0 0 -73.6 -21.5 -178.4 48.0 110.5 44.0 204 -3.3 212 -1.2 0 0.0 0 0.0 8 18
209 D 209 LEU L H H X < TS+ 0 0 -83.8 -43.1 -178.9 43.9 113.9 25.4 205 -1.2 213 -1.2 206 -1.1 0 0.0 8 18
210 D 210 LEU L H H X > TS+ 0 0 -65.2 -56.7 177.4 48.3 115.6 7.7 206 -2.2 213 -1.1 0 0.0 214 -0.8 8 18
211 D 211 MET M H H X > TS+ 0 0 -44.3 -59.0 -178.6 48.2 112.5 24.0 207 -2.0 214 -2.6 0 0.0 215 -1.3 8 16
212 D 212 MET M H H X 3 TS+ 0 0 -59.3 -21.6 175.1 62.0 103.8 42.3 208 -1.2 216 -2.1 0 0.0 0 0.0 8 17
213 D 213 GLY G H H < < TS+ 0 0 -82.5 -6.7 172.5 40.4 110.9 52.6 209 -1.2 0 0.0 210 -1.1 0 0.0 8 17
214 D 214 LEU L H H X < TS+ 0 0 -104.3 -31.8 -178.9 43.4 118.6 45.5 211 -2.6 218 -1.0 210 -0.8 0 0.0 8 16
215 D 215 LEU L H H X TS+ 0 0 -86.5 -34.5 -179.1 57.0 107.6 40.1 211 -1.3 219 -2.2 0 0.0 0 0.0 8 16
216 D 216 LEU L H H X TS+ 0 0 -64.8 -47.3 179.4 38.4 114.5 13.3 212 -2.1 220 -1.6 0 0.0 0 0.0 8 17
217 D 217 PRO P H H > TS+ 0 0 -69.7 -41.2 177.5 49.2 119.0 19.1 0 0.0 221 -1.8 0 0.0 0 0.0 8 16
218 D 218 LEU L H H X > TS+ 0 0 -58.9 -63.9 -180.0 44.5 112.7 10.5 214 -1.0 222 -1.7 0 0.0 221 -1.2 8 16
219 D 219 VAL V H H X 3 TS+ 0 0 -53.5 -25.9 174.5 58.7 108.4 42.2 215 -2.2 223 -1.9 0 0.0 0 0.0 8 17
220 D 220 TYR Y H H X 3 TS+ 0 0 -67.6 -39.0 -179.6 50.3 106.4 21.9 216 -1.6 224 -1.3 0 0.0 0 0.0 8 16
221 D 221 ALA A H H X X TS+ 0 0 -57.6 -60.4 174.7 51.8 106.7 11.3 217 -1.8 225 -3.4 218 -1.2 224 -1.6 8 18
222 D 222 MET M H H X 3 TS+ 0 0 -39.3 -48.9 -179.3 55.0 108.4 26.3 218 -1.7 226 -2.2 0 0.0 0 0.0 8 17
223 D 223 LYS K H H X 3 TS+ 0 0 -61.7 -33.5 176.6 41.3 111.7 38.3 219 -1.9 227 -1.5 0 0.0 0 0.0 8 17
224 D 224 ARG R H H X < TS+ 0 0 -85.0 -27.7 176.3 64.6 107.0 44.2 221 -1.6 228 -2.3 220 -1.3 0 0.0 8 17
225 D 225 HIS H H H < TS+ 0 0 -54.4 -64.8 -176.5 30.2 114.3 5.8 221 -3.4 0 0.0 0 0.0 0 0.0 7 16
226 D 226 LYS K H H < > TS+ 0 0 -58.5 -60.7 -175.5 49.9 120.9 8.6 222 -2.2 229 -1.5 0 0.0 0 0.0 7 15
227 D 227 TRP W H H X > TS+ 0 0 -50.9 -33.0 -177.9 86.3 87.6 34.1 223 -1.5 231 -2.0 0 0.0 230 -1.8 8 15
228 D 228 SER S H H X 3 TS+ 0 0 -36.4 -46.4 178.4 62.3 81.2 37.3 224 -2.3 232 -3.0 0 0.0 0 0.0 8 15
229 D 229 VAL V H H 4 < TS+ 0 0 -46.8 -54.9 176.7 34.9 112.7 28.1 226 -1.5 0 0.0 0 0.0 0 0.0 7 14
230 D 230 LEU L H H 4 X TS+ 0 0 -68.3 -51.8 -177.2 49.5 118.3 25.3 227 -1.8 233 -0.9 0 0.0 0 0.0 6 13
231 D 231 LYS K H H < 3 TS+ 0 0 -62.9 -34.4 172.1 45.1 114.5 28.5 227 -2.0 0 0.0 0 0.0 0 0.0 6 14
232 D 232 SER S T h < 3 TS+ 0 0 -73.4 -20.8 -178.3 118.1 91.8 55.7 228 -3.0 0 0.0 0 0.0 0 0.0 6 13
233 D 233 ARG R t < T - 0 0 -54.5 144.3 178.8 -160.2 47.4 96.5 230 -0.9 0 0.0 0 0.0 0 0.0 6 13
234 D 234 LYS K - 0 0 -130.9 143.9 -173.5 -142.8 6.1 155.8 0 0.0 0 0.0 0 0.0 0 0.0 4 11
235 D 235 LEU L - 0 0 -107.4 162.6 176.4 -173.9 12.5 141.0 0 0.0 0 0.0 0 0.0 0 0.0 4 10
236 D 236 ALA A - 0 0 -158.9 128.3 -174.6 -157.8 8.8 158.4 0 0.0 238 -0.5 0 0.0 0 0.0 4 8
237 D 237 TYR Y + 0 0 -116.9 121.8 -169.2 171.8 14.5 162.0 0 0.0 0 0.0 0 0.0 0 0.0 4 8
238 D 238 ARG R - 0 0 -133.0 61.3 176.1 -173.4 8.7 118.5 236 -0.5 0 0.0 0 0.0 0 0.0 4 7
239 D 239 PRO P - 0 0 -46.2 155.5 173.9 -129.2 32.2 92.9 0 0.0 0 0.0 0 0.0 0 0.0 4 6
240 D 240 PRO P 0 0 -72.4 -33.3 -176.0 999.9 999.9 30.4 0 0.0 0 0.0 0 0.0 0 0.0 3 5
241 D 241 LYS K 0 0 -35.3 999.9 999.9 999.9 999.9 49.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1be3D.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS SSS HHHHHHHHHHHHHHTTTT TT BS TTTTS HHHHHHHHHHHHHHTTTTTTT TT S SS B SSSSHHH Kabs/Sand
chirality ---+++---+-+++-++----++++++++++++++++++--+++--++++++-+--+++++++++++++++-+++-+-+++-++-++-----+---+++ chirality
bends SS SSS SSSSSSSSSSSSSSSSSS SS S SSSSS SSSSSSSSSSSSSSS SSSSS SS S SS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >>555<< >5555< >5555<>5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33X 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>XXXXXXXX<<444< >>>>XXXXXXXX<<4<4< >>>> 4-turns
summary SS SSS hHHHHHHHHHHHHHHhTTTt tTTtBS tTTTTt hHHHHHHHHHHHHHHhTTTTTTtTTt S SS B SSShHHH summary
sequence SDLELHPPSYPWSHRGLLSSLDHTSIRRGFQVYKQVCSSCHSMDYVAYRHLVGVCYTEDEAKALAEEVEVQDGPNEDGEMFMRPGKLSDYFPKPYPNPEA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHTTT GGGTTTSSTTHHHHHHHHHS TT TT TT TTS TTS SS HHHHHHHHHHHHHHHH TTHHH Kabs/Sand
chirality ++++--+-----+++++++-+--+++++++++++----++----+++---++-+-+--+----+-++----+-+--+-++++++++++++++++++++++ chirality
bends SSSSSSS SSSSSSSSSS SSSSSSSSS SS SS SS SSS SSS SS SSSSSSSSSSSSSSSS SSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 33X3><3< >>3X<3< >3>X3<<>33< >33< >33< >33X33< >33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< >444< >>>>XXX<<<< >>>>XXXXXXXXXX<<<< >>>> 4-turns
summary HHHHhTTt gGGGgTTttThHHHHHHHHHh tTTt tTTt tTTtTTt tTTt SS hHHHHHHHHHHHHHHHHhThHHH summary
sequence ARAANNGALPPDLSYIVRARHGGEDYVFSLLTGYCEPPTGVSLREGLYFNPYFPGQAIGMAPPIYNEVLEFDDGTPATMSQVAKDVCTFLRWAAEPEHDH sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality ++++++++++++++++++++++++++++++++----+-- chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3>3<< >33X33< >>3XXXXXXX<