Secondary structure calculation program - copyright by David Keith Smith, 1989
1hyeA.pdb
1HYE OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 307
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 MET M e 0 0 999.9 147.4 178.7 999.9 999.9 999.9 0 0.0 27 -2.4 0 0.0 28 -1.7 9 43
2 A 2 LYS K E E Aa - 28 0 -121.1 123.0 -179.3 -178.9 999.9 167.4 0 0.0 76 -2.8 0 0.0 77 -1.1 12 48
3 A 3 VAL V E E Aab - 29 77 -125.2 137.2 177.4 -161.3 11.2 165.4 28 -2.4 30 -2.9 0 0.0 0 0.0 13 62
4 A 4 THR T E E Aab - 30 78 -115.1 135.1 177.1 -163.0 3.2 161.2 77 -2.1 79 -3.4 0 0.0 6 -0.5 13 68
5 A 5 ILE I E E Aab> T - 31 79 -119.0 112.3 177.8 -164.1 1.5 163.7 30 -2.8 32 -2.4 0 0.0 8 -0.8 15 73
6 A 6 ILE I E E Aab3 TS+ 32 80 -96.4 112.7 -177.5 32.9 84.4 150.3 79 -3.0 81 -2.9 4 -0.5 82 -1.0 13 72
7 A 7 GLY G T e > TS+ 0 0 114.2 19.6 179.8 144.4 72.3 57.3 32 -2.3 10 -1.6 0 0.0 0 0.0 13 64
8 A 8 ALA A T T < T + 0 0 -62.3 -19.6 -179.2 67.9 62.3 48.7 32 -1.2 0 0.0 5 -0.8 0 0.0 17 61
9 A 9 SER S T T 3 TS+ 0 0 -77.2 -13.4 -179.5 83.0 90.0 49.2 0 0.0 0 0.0 0 0.0 0 0.0 12 49
10 A 10 GLY G S h > < TS- 0 0 -84.9 176.0 -178.4 -96.0 96.1 103.6 7 -1.6 14 -2.7 0 0.0 0 0.0 9 43
11 A 11 ARG R H H > TS+ 0 0 -58.9 -55.1 -179.4 33.8 121.7 20.6 0 0.0 15 -1.7 0 0.0 0 0.0 7 41
12 A 12 VAL V H H > TS+ 0 0 -72.9 -32.5 179.5 54.5 118.7 30.4 0 0.0 16 -2.3 0 0.0 0 0.0 10 48
13 A 13 GLY G H H > TS+ 0 0 -66.0 -43.0 179.5 44.6 110.5 23.6 0 0.0 17 -2.0 0 0.0 0 0.0 15 57
14 A 14 SER S H H X TS+ 0 0 -69.3 -37.1 179.9 50.0 113.5 28.4 10 -2.7 18 -1.9 0 0.0 0 0.0 11 54
15 A 15 ALA A H H X TS+ 0 0 -67.2 -43.6 178.7 48.8 111.5 22.3 11 -1.7 19 -1.9 0 0.0 0 0.0 9 48
16 A 16 THR T H H X TS+ 0 0 -61.2 -41.3 -179.7 55.2 108.1 25.3 12 -2.3 20 -2.8 0 0.0 0 0.0 13 56
17 A 17 ALA A H H X TS+ 0 0 -57.8 -47.7 179.8 50.3 106.7 21.3 13 -2.0 21 -2.2 0 0.0 0 0.0 12 68
18 A 18 LEU L H H X TS+ 0 0 -57.9 -46.4 179.8 44.8 113.7 24.5 14 -1.9 22 -0.7 0 0.0 0 0.0 9 54
19 A 19 LEU L H H < > TS+ 0 0 -66.0 -47.1 -179.8 49.1 113.1 22.1 15 -1.9 22 -0.8 0 0.0 0 0.0 11 48
20 A 20 LEU L H H < > TS+ 0 0 -61.6 -37.0 -179.1 62.9 102.1 31.0 16 -2.8 23 -1.7 0 0.0 0 0.0 9 58
21 A 21 ALA A H H < 3 TS+ 0 0 -59.3 -29.4 -179.3 56.2 99.1 37.5 17 -2.2 0 0.0 0 0.0 0 0.0 11 52
22 A 22 LYS K T h < < TS+ 0 0 -81.2 -8.2 -179.6 108.6 83.3 58.8 19 -0.8 0 0.0 18 -0.7 0 0.0 9 42
23 A 23 GLU E t X T - 0 0 -75.4 135.3 -179.8 -137.9 68.8 122.5 20 -1.7 26 -1.5 0 0.0 0 0.0 7 41
24 A 24 PRO P T T 3 TS+ 0 0 -59.8 -32.1 -178.6 55.1 103.1 37.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
25 A 25 PHE F T T 3 TS+ 0 0 -81.5 -5.5 -178.8 108.9 83.3 58.2 0 0.0 0 0.0 0 0.0 0 0.0 6 35
26 A 26 MET M t < T + 0 0 -79.1 120.8 -179.8 152.6 29.3 128.2 23 -1.5 0 0.0 0 0.0 0 0.0 13 44
27 A 27 LYS K e + 0 0 -108.7 -61.1 -179.9 22.8 66.9 38.3 1 -2.4 60 -3.4 0 0.0 0 0.0 9 37
28 A 28 ASP D E E Aac - 2 60 -117.9 122.8 179.4 -174.9 61.9 165.0 1 -1.7 3 -2.4 0 0.0 30 -0.5 11 41
29 A 29 LEU L E E Aac - 3 61 -119.9 114.7 -179.1 -162.5 8.5 165.2 60 -2.7 62 -2.8 0 0.0 31 -0.5 15 58
30 A 30 VAL V E E Aac - 4 62 -103.0 126.4 -179.8 -162.0 2.0 150.3 3 -2.9 5 -2.8 28 -0.5 32 -0.6 14 58
31 A 31 LEU L E E Aac - 5 63 -110.8 113.6 -178.6 -171.8 11.4 158.2 62 -2.7 64 -2.3 29 -0.5 0 0.0 15 66
32 A 32 ILE I E E Aac + 6 64 -109.1 139.2 178.9 148.7 14.9 148.7 5 -2.4 7 -2.3 30 -0.6 8 -1.2 14 60
33 A 33 GLY G E E A c - 0 65 -156.1 169.7 179.5 -77.1 49.3 161.8 64 -1.4 66 -1.1 0 0.0 0 0.0 15 53
34 A 34 ARG R g > T - 0 0 -69.8 160.7 -179.1 -97.3 55.0 107.3 0 0.0 37 -2.5 0 0.0 0 0.0 9 36
35 A 35 GLU E G G > TS+ 0 0 -47.3 -40.8 -178.0 57.0 122.8 34.5 0 0.0 38 -1.2 0 0.0 0 0.0 8 24
36 A 36 HIS H G G 3 TS+ 0 0 -73.2 -4.4 -179.1 58.5 102.5 56.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
37 A 37 SER S G h > < TS+ 0 0 -102.4 -4.6 -178.4 97.2 72.9 61.7 34 -2.5 41 -2.4 0 0.0 0 0.0 10 31
38 A 38 ILE I H H > < TS+ 0 0 -54.0 -43.8 -179.8 51.1 83.3 28.4 35 -1.2 42 -2.1 0 0.0 0 0.0 12 32
39 A 39 ASN N H H > TS+ 0 0 -61.3 -42.8 -179.9 47.7 111.7 22.0 0 0.0 43 -1.8 0 0.0 0 0.0 7 26
40 A 40 LYS K H H > TS+ 0 0 -64.3 -39.4 -179.8 50.0 112.3 26.9 0 0.0 44 -1.7 0 0.0 0 0.0 8 31
41 A 41 LEU L H H X TS+ 0 0 -69.7 -32.1 178.1 52.8 107.6 35.6 37 -2.4 45 -2.2 0 0.0 0 0.0 13 42
42 A 42 GLU E H H X TS+ 0 0 -69.4 -36.2 179.4 50.4 109.6 30.1 38 -2.1 46 -1.8 0 0.0 0 0.0 9 35
43 A 43 GLY G H H X TS+ 0 0 -68.5 -35.2 178.7 50.3 109.5 31.5 39 -1.8 47 -1.7 0 0.0 0 0.0 8 31
44 A 44 LEU L H H X TS+ 0 0 -69.1 -39.7 179.7 53.2 108.1 27.2 40 -1.7 48 -2.2 0 0.0 0 0.0 10 42
45 A 45 ARG R H H X TS+ 0 0 -64.4 -37.4 179.3 49.9 107.9 28.5 41 -2.2 49 -2.3 0 0.0 0 0.0 11 45
46 A 46 GLU E H H X TS+ 0 0 -66.5 -40.4 179.0 52.0 109.6 24.7 42 -1.8 50 -2.1 0 0.0 0 0.0 8 31
47 A 47 ASP D H H X TS+ 0 0 -61.2 -40.4 179.6 48.1 110.7 27.7 43 -1.7 51 -2.0 0 0.0 0 0.0 8 32
48 A 48 ILE I H H X TS+ 0 0 -68.2 -41.5 179.6 51.5 109.7 24.8 44 -2.2 52 -1.8 0 0.0 0 0.0 10 42
49 A 49 TYR Y H H X TS+ 0 0 -64.7 -32.9 177.9 50.8 109.6 32.3 45 -2.3 53 -0.6 0 0.0 0 0.0 8 36
50 A 50 ASP D H H < > TS+ 0 0 -68.9 -43.2 -179.9 50.2 109.3 23.2 46 -2.1 53 -0.8 0 0.0 0 0.0 7 24
51 A 51 ALA A H H < 3 TS+ 0 0 -64.0 -30.9 179.6 48.0 112.3 35.3 47 -2.0 0 0.0 0 0.0 0 0.0 6 28
52 A 52 LEU L H H < > TS+ 0 0 -85.8 -10.1 -179.8 116.6 85.2 57.2 48 -1.8 55 -1.6 0 0.0 0 0.0 10 28
53 A 53 ALA A T h < < TS+ 0 0 -61.7 134.7 179.9 26.0 75.2 111.3 50 -0.8 0 0.0 49 -0.6 0 0.0 6 20
54 A 54 GLY G T T 3 TS+ 0 0 101.5 -29.2 179.3 96.0 103.1 89.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
55 A 55 THR T S t < TS- 0 0 -88.5 169.0 -179.1 -120.6 82.0 115.4 52 -1.6 0 0.0 0 0.0 0 0.0 5 18
56 A 56 ARG R + 0 0 -100.0 29.0 -179.9 148.2 58.5 90.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
57 A 57 SER S - 0 0 -65.7 137.5 179.7 -168.1 32.4 112.4 0 0.0 0 0.0 0 0.0 0 0.0 7 26
58 A 58 ASP D + 0 0 -119.9 39.3 179.8 137.4 37.7 100.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
59 A 59 ALA A - 0 0 -88.1 141.5 178.9 -141.2 44.9 130.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
60 A 60 ASN N E E Ac - 28 0 -105.3 134.5 -179.1 -155.2 10.1 151.9 27 -3.4 29 -2.7 0 0.0 62 -0.5 7 42
61 A 61 ILE I E E Ac - 29 0 -111.9 125.4 179.2 -167.7 10.3 159.8 0 0.0 0 0.0 0 0.0 0 0.0 9 52
62 A 62 TYR Y E E Ac - 30 0 -114.7 145.4 178.1 -160.6 8.4 151.9 29 -2.8 31 -2.7 60 -0.5 0 0.0 9 51
63 A 63 VAL V E E Ac + 31 0 -124.2 124.9 -179.2 155.2 24.3 172.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
64 A 64 GLU E E E Ac - 32 0 -148.6 152.8 178.9 -115.5 38.5 172.4 31 -2.3 33 -1.4 0 0.0 0 0.0 10 38
65 A 65 SER S E E Ac > T - 33 0 -81.2 169.9 -178.9 -111.4 34.1 110.7 0 0.0 68 -0.5 0 0.0 0 0.0 11 36
66 A 66 ASP D T e 3 TS+ 0 0 -88.4 15.4 179.5 92.8 96.0 76.3 33 -1.1 0 0.0 0 0.0 0 0.0 9 46
67 A 67 GLU E T T 3 TS+ 0 0 -73.3 -39.6 -179.0 26.2 96.1 26.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
68 A 68 ASN N g X T - 0 0 -128.8 108.5 -178.9 -175.3 62.8 161.3 65 -0.5 71 -0.6 0 0.0 0 0.0 6 30
69 A 69 LEU L G G > T + 0 0 -89.6 17.8 179.2 113.0 53.0 79.4 0 0.0 72 -2.0 0 0.0 0 0.0 10 41
70 A 70 ARG R G G > T + 0 0 -54.1 -36.4 -179.2 67.6 69.1 28.8 0 0.0 73 -1.9 0 0.0 0 0.0 6 34
71 A 71 ILE I G G < TS+ 0 0 -58.8 -21.8 -178.5 64.7 88.1 46.4 68 -0.6 0 0.0 0 0.0 0 0.0 7 38
72 A 72 ILE I G G X TS+ 0 0 -82.5 -5.7 -179.4 127.5 72.8 56.3 69 -2.0 75 -1.8 0 0.0 0 0.0 12 49
73 A 73 ASP D T g < TS+ 0 0 -52.8 139.4 179.5 14.3 74.9 100.9 70 -1.9 0 0.0 0 0.0 0 0.0 8 38
74 A 74 GLU E T T 3 TS+ 0 0 70.4 11.7 178.0 155.9 85.9 53.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
75 A 75 SER S t < T - 0 0 -67.9 142.6 178.6 -147.9 40.5 118.1 72 -1.8 0 0.0 0 0.0 0 0.0 11 49
76 A 76 ASP D S e S+ 0 0 -79.0 -31.4 178.9 4.1 83.3 36.0 2 -2.8 117 -0.5 0 0.0 0 0.0 9 50
77 A 77 VAL V E E Abd - 3 117 -155.5 140.7 178.6 -153.3 61.9 168.5 2 -1.1 4 -2.1 0 0.0 79 -0.5 11 68
78 A 78 VAL V E E Abd - 4 118 -117.7 118.2 179.9 -155.8 14.9 168.6 117 -2.7 119 -2.7 0 0.0 80 -0.5 14 75
79 A 79 ILE I E E Abd - 5 119 -97.6 127.9 179.6 -157.9 3.6 147.7 4 -3.4 6 -3.0 77 -0.5 81 -0.6 12 82
80 A 80 ILE I E E Abd + 6 120 -109.7 115.6 179.5 150.3 30.7 159.0 119 -2.6 121 -2.8 78 -0.5 122 -1.1 13 80
81 A 81 THR T e + 0 0 -122.7 6.4 179.3 122.5 34.6 77.5 6 -2.9 0 0.0 79 -0.6 0 0.0 14 65
82 A 82 SER S + 0 0 -72.7 138.3 179.3 94.2 38.8 121.7 6 -1.0 0 0.0 0 0.0 0 0.0 12 60
83 A 83 GLY G S S S- 0 0 155.1 160.8 178.9 -77.9 76.4 141.7 0 0.0 0 0.0 0 0.0 0 0.0 10 52
84 A 84 VAL V - 0 0 -86.5 125.7 -179.7 -133.1 51.0 138.3 0 0.0 0 0.0 0 0.0 0 0.0 8 41
85 A 85 PRO P - 0 0 -71.0 173.9 180.0 -43.7 52.9 96.2 0 0.0 0 0.0 0 0.0 0 0.0 6 39
86 A 86 ARG R - 0 0 -41.9 99.0 179.7 -135.9 67.8 97.5 0 0.0 0 0.0 0 0.0 0 0.0 5 36
87 A 87 LYS K t > T - 0 0 -64.0 134.7 -179.2 -135.7 3.6 113.4 0 0.0 90 -0.7 0 0.0 0 0.0 7 19
88 A 88 GLU E T T 3 TS+ 0 0 -60.4 -36.0 -179.8 28.6 99.4 31.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
89 A 89 GLY G T T 3 TS+ 0 0 -130.5 73.2 179.5 85.3 101.4 123.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
90 A 90 MET M t < T - 0 0 -164.9 153.6 -179.8 -106.5 66.0 168.8 87 -0.7 0 0.0 0 0.0 0 0.0 7 17
91 A 91 SER S h > T - 0 0 -79.6 165.0 -179.7 -114.4 32.3 108.0 0 0.0 95 -1.6 0 0.0 0 0.0 6 21
92 A 92 ARG R H H > TS+ 0 0 -69.7 -28.7 179.9 57.6 115.5 37.8 0 0.0 96 -2.9 0 0.0 0 0.0 7 38
93 A 93 MET M H H > TS+ 0 0 -69.4 -39.0 178.7 47.8 106.6 27.4 0 0.0 97 -2.7 0 0.0 0 0.0 7 36
94 A 94 ASP D H H > TS+ 0 0 -67.3 -37.3 179.1 48.4 113.8 28.1 0 0.0 98 -2.2 0 0.0 0 0.0 8 31
95 A 95 LEU L H H X TS+ 0 0 -66.4 -45.6 179.8 50.0 111.8 21.5 91 -1.6 99 -2.6 0 0.0 0 0.0 14 38
96 A 96 ALA A H H X TS+ 0 0 -58.1 -51.8 -178.9 42.6 114.2 20.3 92 -2.9 100 -1.9 0 0.0 0 0.0 14 51
97 A 97 LYS K H H X TS+ 0 0 -64.4 -41.0 179.3 52.0 114.2 26.1 93 -2.7 101 -1.5 0 0.0 0 0.0 11 43
98 A 98 THR T H H X TS+ 0 0 -61.4 -50.8 -179.7 36.5 117.2 19.5 94 -2.2 102 -0.8 0 0.0 0 0.0 9 39
99 A 99 ASN N H H X TS+ 0 0 -76.3 -22.5 179.2 68.3 106.7 40.8 95 -2.6 103 -2.8 0 0.0 0 0.0 13 48
100 A 100 ALA A H H X TS+ 0 0 -60.6 -41.8 -179.9 49.9 100.4 24.2 96 -1.9 104 -2.4 0 0.0 0 0.0 13 52
101 A 101 LYS K H H X TS+ 0 0 -66.1 -33.5 179.9 46.0 113.4 33.0 97 -1.5 105 -1.2 0 0.0 0 0.0 9 44
102 A 102 ILE I H H X TS+ 0 0 -73.4 -58.3 -179.0 38.7 118.0 11.5 98 -0.8 106 -1.7 0 0.0 0 0.0 10 50
103 A 103 VAL V H H X TS+ 0 0 -60.5 -40.9 -179.8 54.4 115.3 27.6 99 -2.8 107 -2.4 0 0.0 0 0.0 15 60
104 A 104 GLY G H H X TS+ 0 0 -62.2 -40.7 179.9 51.3 106.0 28.1 100 -2.4 108 -2.1 0 0.0 0 0.0 14 58
105 A 105 LYS K H H X TS+ 0 0 -63.0 -43.3 179.7 45.6 113.0 24.6 101 -1.2 109 -2.1 0 0.0 0 0.0 9 48
106 A 106 TYR Y H H X TS+ 0 0 -68.1 -37.7 179.6 53.2 110.7 29.8 102 -1.7 110 -2.5 0 0.0 0 0.0 8 62
107 A 107 ALA A H H X TS+ 0 0 -63.5 -42.1 -180.0 45.3 112.2 24.8 103 -2.4 111 -2.0 0 0.0 0 0.0 13 65
108 A 108 LYS K H H X TS+ 0 0 -68.5 -40.2 -179.9 48.7 113.8 26.9 104 -2.1 112 -0.8 0 0.0 0 0.0 11 46
109 A 109 LYS K H H X TS+ 0 0 -69.0 -36.2 179.3 51.8 110.1 30.4 105 -2.1 113 -0.7 0 0.0 0 0.0 10 45
110 A 110 ILE I H H X > TS+ 0 0 -64.3 -46.5 -179.1 53.3 106.8 20.5 106 -2.5 114 -2.3 0 0.0 113 -1.3 12 54
111 A 111 ALA A H H < 3 TS+ 0 0 -62.1 -21.6 179.9 62.6 100.0 46.0 107 -2.0 0 0.0 0 0.0 0 0.0 12 44
112 A 112 GLU E H H < 3 TS+ 0 0 -75.2 -24.5 -178.5 36.8 112.5 39.1 108 -0.8 0 0.0 0 0.0 0 0.0 6 32
113 A 113 ILE I H H < < TS- 0 0 -93.6 -48.6 -177.9 -25.9 125.4 27.4 110 -1.3 0 0.0 109 -0.7 0 0.0 10 31
114 A 114 CYS C h < T - 0 0 -159.6 174.5 177.8 -96.7 56.2 163.7 110 -2.3 0 0.0 0 0.0 0 0.0 9 33
115 A 115 ASP D + 0 0 -100.1 130.5 -178.3 134.4 60.7 151.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
116 A 116 THR T - 0 0 -160.8 -177.7 178.9 -80.4 56.0 156.0 0 0.0 0 0.0 0 0.0 0 0.0 11 51
117 A 117 LYS K E E Ad - 77 0 -100.7 136.7 179.6 -152.0 35.5 147.0 76 -0.5 78 -2.7 0 0.0 119 -0.5 10 65
118 A 118 ILE I E E Ade - 78 143 -113.4 124.1 -179.1 -165.9 5.8 160.4 142 -2.8 144 -2.3 0 0.0 120 -0.7 13 75
119 A 119 PHE F E E Ade - 79 144 -109.7 109.1 -177.7 -155.0 14.2 157.8 78 -2.7 80 -2.6 117 -0.5 0 0.0 13 87
120 A 120 VAL V E E Ade + 80 145 -94.3 125.4 179.9 159.5 28.6 139.7 144 -2.9 146 -1.7 118 -0.7 0 0.0 15 80
121 A 121 ILE I e + 0 0 -111.7 -25.9 -178.5 106.1 42.4 49.8 80 -2.8 0 0.0 0 0.0 0 0.0 10 78
122 A 122 THR T S S S- 0 0 -62.7 139.3 -178.6 -75.7 74.0 106.3 80 -1.1 0 0.0 0 0.0 0 0.0 13 66
123 A 123 ASN N S S S+ 0 0 -88.2 154.3 -0.5 40.8 116.8 121.6 0 0.0 0 0.0 0 0.0 0 0.0 12 65
124 A 124 PRO P S h > > TS- 0 0 -71.9 110.9 -175.5 -173.3 84.2 76.2 0 0.0 128 -2.6 0 0.0 127 -0.8 10 70
125 A 125 VAL V H H > 3 TS+ 0 0 -47.7 -42.7 -179.2 52.1 75.8 37.6 0 0.0 129 -2.0 0 0.0 0 0.0 14 75
126 A 126 ASP D H H > 3 TS+ 0 0 -64.0 -38.9 -179.9 42.0 115.9 24.6 0 0.0 130 -1.6 0 0.0 0 0.0 17 75
127 A 127 VAL V H H > < TS+ 0 0 -74.2 -39.4 179.5 51.5 113.9 29.8 124 -0.8 131 -2.4 0 0.0 0 0.0 14 72
128 A 128 MET M H H X TS+ 0 0 -69.0 -29.4 178.7 52.8 107.8 37.9 124 -2.6 132 -1.8 0 0.0 0 0.0 16 73
129 A 129 THR T H H X TS+ 0 0 -69.3 -47.1 179.1 48.5 110.1 20.4 125 -2.0 133 -2.1 0 0.0 0 0.0 16 75
130 A 130 TYR Y H H X TS+ 0 0 -56.4 -48.6 -179.7 49.2 111.6 21.7 126 -1.6 134 -2.4 0 0.0 0 0.0 12 72
131 A 131 LYS K H H X TS+ 0 0 -60.7 -38.0 -179.7 50.8 110.6 27.7 127 -2.4 135 -2.5 0 0.0 0 0.0 14 67
132 A 132 ALA A H H X TS+ 0 0 -68.7 -33.9 -179.8 49.6 110.2 31.8 128 -1.8 136 -1.6 0 0.0 0 0.0 15 72
133 A 133 LEU L H H X >TS+ 0 0 -70.1 -41.4 179.9 46.7 113.1 23.6 129 -2.1 137 -1.5 0 0.0 138 -0.5 13 61
134 A 134 VAL V H H < 5TS+ 0 0 -66.7 -45.6 -178.6 41.8 116.8 25.1 130 -2.4 0 0.0 0 0.0 0 0.0 9 51
135 A 135 ASP D H H < 5TS+ 0 0 -77.1 -26.4 179.5 46.9 116.8 39.2 131 -2.5 0 0.0 0 0.0 0 0.0 10 47
136 A 136 SER S H H < 5TS- 0 0 -83.8 -28.3 -178.3 -146.4 90.2 39.2 132 -1.6 0 0.0 0 0.0 0 0.0 12 45
137 A 137 LYS K T h < 5T + 0 0 66.7 22.9 179.2 151.8 45.7 42.9 133 -1.5 0 0.0 0 0.0 0 0.0 7 35
138 A 138 PHE F t T - 0 0 -71.4 152.6 -178.3 -108.3 42.7 114.5 0 0.0 142 -2.0 0 0.0 0 0.0 7 37
140 A 140 ARG R T T 3 TS+ 0 0 -59.3 -15.8 -179.4 58.6 116.6 52.1 0 0.0 0 0.0 0 0.0 0 0.0 9 49
141 A 141 ASN N T T 3 TS+ 0 0 -90.0 -10.5 -176.9 59.0 99.4 53.2 0 0.0 274 -2.0 0 0.0 0 0.0 10 50
142 A 142 GLN Q S e < TS+ 0 0 -94.9 -12.8 -178.6 59.3 97.9 56.1 139 -2.0 118 -2.8 0 0.0 0 0.0 12 56
143 A 143 VAL V E E Ae + 118 0 -124.8 127.6 180.0 139.9 61.4 167.4 0 0.0 0 0.0 0 0.0 0 0.0 16 71
144 A 144 PHE F E E Ae - 119 0 -154.5 169.7 -179.0 -133.4 32.7 163.1 118 -2.3 120 -2.9 0 0.0 0 0.0 14 76
145 A 145 GLY G E E AeA - 120 248 -133.8 154.3 -178.8 -107.8 31.7 161.3 248 -2.3 248 -3.2 0 0.0 0 0.0 13 75
146 A 146 LEU L e > T + 0 0 -45.1 -38.7 178.8 160.1 62.4 33.0 120 -1.7 149 -1.8 0 0.0 0 0.0 14 77
147 A 147 GLY G T T 3 T - 0 0 55.2 -131.3 -179.4 -20.7 65.1 102.0 0 0.0 0 0.0 0 0.0 0 0.0 14 73
148 A 148 THR T T h > 3 TS+ 0 0 -99.5 22.5 -179.7 110.5 101.3 85.9 0 0.0 152 -2.4 0 0.0 0 0.0 16 71
149 A 149 HIS H H H > < TS+ 0 0 -62.6 -49.7 179.3 37.2 85.8 18.6 146 -1.8 153 -1.4 0 0.0 0 0.0 13 66
150 A 150 LEU L H H > TS+ 0 0 -71.2 -34.0 178.3 57.0 114.5 31.9 0 0.0 154 -2.2 0 0.0 0 0.0 13 62
151 A 151 ASP D H H > TS+ 0 0 -60.8 -43.5 -179.2 49.3 107.2 21.9 0 0.0 155 -2.1 0 0.0 0 0.0 13 62
152 A 152 SER S H H X TS+ 0 0 -65.6 -33.9 178.4 51.9 108.7 31.6 148 -2.4 156 -1.9 0 0.0 0 0.0 12 70
153 A 153 LEU L H H X TS+ 0 0 -68.8 -38.5 179.7 50.4 109.1 26.1 149 -1.4 157 -2.0 0 0.0 0 0.0 10 62
154 A 154 ARG R H H X TS+ 0 0 -64.7 -39.7 179.9 50.6 109.9 25.9 150 -2.2 158 -1.8 0 0.0 0 0.0 11 54
155 A 155 PHE F H H X TS+ 0 0 -64.9 -37.7 178.8 56.0 106.6 29.9 151 -2.1 159 -2.3 0 0.0 0 0.0 14 62
156 A 156 LYS K H H X TS+ 0 0 -60.2 -47.2 179.4 48.6 107.1 22.4 152 -1.9 160 -2.4 0 0.0 0 0.0 13 55
157 A 157 VAL V H H X TS+ 0 0 -61.9 -40.4 -179.7 51.6 110.4 28.0 153 -2.0 161 -2.0 0 0.0 0 0.0 9 45
158 A 158 ALA A H H X TS+ 0 0 -64.7 -42.7 -179.9 45.4 112.0 24.8 154 -1.8 162 -1.8 0 0.0 0 0.0 9 49
159 A 159 ILE I H H X TS+ 0 0 -68.2 -42.8 179.5 51.5 111.2 24.2 155 -2.3 163 -2.3 0 0.0 0 0.0 9 53
160 A 160 ALA A H H X >TS+ 0 0 -60.3 -40.2 -180.0 50.5 110.7 25.8 156 -2.4 165 -1.8 0 0.0 164 -1.2 13 39
161 A 161 LYS K H H < 5TS+ 0 0 -65.2 -40.0 -179.3 49.9 109.8 27.6 157 -2.0 0 0.0 0 0.0 0 0.0 9 31
162 A 162 PHE F H H < 5TS+ 0 0 -68.3 -40.3 -179.6 39.7 116.3 28.3 158 -1.8 0 0.0 0 0.0 0 0.0 7 35
163 A 163 PHE F H H < 5TS- 0 0 -85.2 -12.1 -179.8 -126.7 105.4 52.2 159 -2.3 0 0.0 0 0.0 0 0.0 7 37
164 A 164 GLY G T h < 5T + 0 0 69.1 39.8 179.6 130.4 63.7 27.7 160 -1.2 0 0.0 0 0.0 0 0.0 6 24
165 A 165 VAL V t T - 0 0 -61.1 142.0 -179.4 -120.3 40.0 108.6 0 0.0 169 -1.8 0 0.0 0 0.0 7 22
167 A 167 ILE I G G > TS+ 0 0 -51.7 -37.7 -178.9 65.2 110.4 33.5 0 0.0 170 -1.8 0 0.0 0 0.0 9 29
168 A 168 ASP D G G 3 TS+ 0 0 -59.6 -26.0 -178.8 62.1 92.5 42.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
169 A 169 GLU E G e < TS+ 0 0 -78.8 -9.4 -179.1 80.6 91.5 55.5 166 -1.8 192 -3.3 0 0.0 193 -0.6 11 29
170 A 170 VAL V E E BF < T + 191 0 -106.7 129.1 177.2 172.4 49.2 150.2 167 -1.8 0 0.0 0 0.0 0 0.0 15 39
171 A 171 ARG R E E BF + 190 0 -132.4 119.8 -179.0 136.0 22.4 169.6 190 -2.0 190 -2.3 0 0.0 0 0.0 10 44
172 A 172 THR T - 0 0 -149.1 -179.2 177.7 -160.2 26.8 149.5 0 0.0 0 0.0 0 0.0 0 0.0 13 59
173 A 173 ARG R e - 0 0 -167.8 158.0 178.3 -141.0 14.6 168.4 0 0.0 185 -2.5 0 0.0 0 0.0 16 62
174 A 174 ILE I E E CG - 184 0 -123.3 132.7 179.0 -171.0 25.0 171.2 0 0.0 0 0.0 0 0.0 0 0.0 15 67
175 A 175 ILE I E E CG + 183 0 -116.9 177.7 -179.7 47.2 41.7 130.3 183 -2.7 183 -3.5 0 0.0 0 0.0 15 74
176 A 176 GLY G E E CGB S+ 182 264 95.7 -151.9 -178.3 4.3 97.3 130.9 264 -2.4 264 -1.6 0 0.0 0 0.0 14 69
177 A 177 GLU E e - 0 0 -76.3 136.8 175.5 -127.2 61.0 118.3 181 -0.5 179 -2.6 0 0.0 0 0.0 16 68
178 A 178 HIS H S S S+ 0 0 -78.4 76.9 -178.7 55.4 93.7 126.3 0 0.0 0 0.0 0 0.0 0 0.0 13 68
179 A 179 GLY G S t > TS- 0 0 -177.0 -158.2 -177.7 -40.7 117.6 156.7 177 -2.6 182 -1.3 0 0.0 0 0.0 6 60
180 A 180 ASP D T T 3 TS+ 0 0 -68.0 -14.2 180.0 61.6 124.5 50.0 0 0.0 0 0.0 0 0.0 0 0.0 6 44
181 A 181 SER S T e 3 TS+ 0 0 -100.5 26.1 178.8 137.7 73.1 84.0 0 0.0 177 -0.5 0 0.0 0 0.0 10 48
182 A 182 MET M E E CG < T - 176 0 -68.1 152.2 -177.5 -142.4 44.2 109.1 179 -1.3 0 0.0 0 0.0 0 0.0 12 61
183 A 183 VAL V E E CG - 175 0 -124.4 111.1 179.1 -144.7 2.3 159.4 175 -3.5 175 -2.7 0 0.0 0 0.0 11 61
184 A 184 PRO P E E CG - 174 0 -72.8 133.5 -179.2 -140.2 15.5 123.2 0 0.0 186 -1.1 0 0.0 0 0.0 9 66
185 A 185 LEU L e > T + 0 0 -97.7 81.0 179.5 164.7 32.4 131.5 173 -2.5 188 -1.6 0 0.0 0 0.0 12 59
186 A 186 LEU L G G > TS+ 0 0 -65.2 -24.1 179.6 64.1 76.3 38.7 184 -1.1 189 -1.2 0 0.0 0 0.0 8 51
187 A 187 SER S G G 3 TS+ 0 0 -73.3 -12.7 179.7 43.3 107.5 50.0 0 0.0 0 0.0 0 0.0 0 0.0 9 40
188 A 188 ALA A G G < TS+ 0 0 -124.4 42.5 179.7 108.2 90.9 104.8 185 -1.6 0 0.0 0 0.0 0 0.0 8 44
189 A 189 THR T e < T - 0 0 -124.6 120.5 -180.0 -179.3 43.9 169.7 186 -1.2 196 -2.6 0 0.0 0 0.0 12 50
190 A 190 SER S E E BFH - 171 195 -122.9 151.6 178.2 -156.6 20.9 154.2 171 -2.3 171 -2.0 0 0.0 0 0.0 12 40
191 A 191 ILE I E E BFH> TS- 170 194 -123.7 111.2 -178.1 -15.4 92.5 168.8 194 -2.7 194 -2.0 0 0.0 0 0.0 10 37
192 A 192 GLY G T e 3 TS- 0 0 63.0 24.6 180.0 -57.7 129.8 37.7 169 -3.3 0 0.0 0 0.0 0 0.0 6 24
193 A 193 GLY G T T 3 TS+ 0 0 89.5 -13.6 -178.9 122.1 113.8 75.7 169 -0.6 0 0.0 0 0.0 0 0.0 8 25
194 A 194 ILE I E E BH < TS- 191 0 -85.7 134.3 179.6 -103.6 74.9 131.9 191 -2.0 191 -2.7 0 0.0 0 0.0 7 25
195 A 195 PRO P E E BH > T - 190 0 -55.8 133.7 -178.0 -131.0 25.6 108.1 0 0.0 198 -2.1 0 0.0 0 0.0 11 29
196 A 196 ILE I G e > TS+ 0 0 -59.9 -24.7 179.8 70.3 104.0 38.7 189 -2.6 199 -1.5 0 0.0 0 0.0 11 39
197 A 197 GLN Q G G 3 TS+ 0 0 -64.5 -20.9 -178.6 68.0 86.3 44.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
198 A 198 LYS K G G < TS+ 0 0 -84.1 7.9 178.4 88.7 83.1 70.9 195 -2.1 0 0.0 0 0.0 0 0.0 7 21
199 A 199 PHE F g X T - 0 0 -108.5 139.4 179.9 -144.6 69.8 152.1 196 -1.5 202 -0.8 0 0.0 0 0.0 8 26
200 A 200 GLU E G G > TS+ 0 0 -67.4 -30.8 -179.5 62.3 102.0 33.7 0 0.0 203 -1.2 0 0.0 0 0.0 6 18
201 A 201 ARG R G G > TS+ 0 0 -67.4 -21.7 179.9 78.5 83.9 43.5 0 0.0 204 -1.7 0 0.0 0 0.0 7 25
202 A 202 PHE F G G X TS+ 0 0 -55.6 -33.7 -179.4 66.1 82.3 34.4 199 -0.8 205 -1.5 0 0.0 0 0.0 9 33
203 A 203 LYS K G G < TS+ 0 0 -61.3 -26.5 -178.9 45.4 103.4 40.2 200 -1.2 0 0.0 0 0.0 0 0.0 6 18
204 A 204 GLU E G G < TS+ 0 0 -101.8 8.0 -179.8 131.6 78.3 72.2 201 -1.7 0 0.0 0 0.0 0 0.0 5 22
205 A 205 LEU L g < T - 0 0 -65.5 124.8 -179.9 -134.4 59.3 117.4 202 -1.5 207 -2.3 0 0.0 0 0.0 7 33
206 A 206 PRO P h > T + 0 0 -76.1 56.3 -178.6 161.4 41.9 108.6 0 0.0 210 -2.7 0 0.0 0 0.0 6 26
207 A 207 ILE I H H > TS+ 0 0 -46.0 -49.4 -179.6 50.1 70.0 28.4 205 -2.3 211 -2.8 0 0.0 0 0.0 6 40
208 A 208 ASP D H H > TS+ 0 0 -59.4 -45.2 179.7 45.8 112.5 24.6 0 0.0 212 -2.0 0 0.0 0 0.0 6 26
209 A 209 GLU E H H > TS+ 0 0 -64.2 -44.8 -179.4 49.1 114.2 22.3 0 0.0 213 -1.6 0 0.0 0 0.0 7 25
210 A 210 ILE I H H X TS+ 0 0 -61.7 -48.2 179.9 48.3 111.0 20.4 206 -2.7 214 -2.0 0 0.0 0 0.0 10 37
211 A 211 ILE I H H X TS+ 0 0 -60.9 -39.1 178.9 56.6 107.2 27.5 207 -2.8 215 -2.6 0 0.0 0 0.0 10 42
212 A 212 GLU E H H X TS+ 0 0 -58.2 -38.8 179.6 49.6 107.9 26.5 208 -2.0 216 -1.6 0 0.0 0 0.0 8 29
213 A 213 ASP D H H X TS+ 0 0 -67.3 -42.0 -179.9 48.5 110.6 26.4 209 -1.6 217 -2.4 0 0.0 0 0.0 9 36
214 A 214 VAL V H H X TS+ 0 0 -67.2 -37.0 -179.9 53.2 109.7 28.3 210 -2.0 218 -1.2 0 0.0 0 0.0 11 46
215 A 215 LYS K H H < TS+ 0 0 -65.8 -37.8 -177.5 30.4 120.4 30.3 211 -2.6 0 0.0 0 0.0 0 0.0 9 41
216 A 216 THR T H H < TS+ 0 0 -96.0 -26.5 -179.6 27.0 133.9 41.8 212 -1.6 0 0.0 0 0.0 0 0.0 7 27
217 A 217 LYS K H H < > TS+ 0 0 -116.3 4.0 -178.7 114.4 84.0 70.2 213 -2.4 220 -2.7 0 0.0 0 0.0 7 32
218 A 218 GLY G T h < 3 TS+ 0 0 -48.4 -28.8 -179.4 48.3 78.0 46.1 214 -1.2 0 0.0 0 0.0 0 0.0 10 49
219 A 219 GLU E T T 3 TS+ 0 0 -97.9 9.0 179.7 101.4 93.8 71.3 0 0.0 0 0.0 0 0.0 0 0.0 9 45
220 A 220 GLN Q S t < TS- 0 0 -90.3 162.7 179.6 -88.7 84.1 118.8 217 -2.7 0 0.0 0 0.0 0 0.0 7 34
221 A 221 ILE I - 0 0 -69.7 139.3 179.1 -134.3 38.6 116.6 0 0.0 223 -0.5 0 0.0 0 0.0 7 30
222 A 222 ILE I 0 0 -99.2 126.3 -179.8 999.9 999.9 149.5 224 -2.7 0 0.0 0 0.0 0 0.0 6 29
223!A 223 ARG R 0 0 -71.7 999.9 999.9 999.9 999.9 24.9 221 -0.5 0 0.0 0 0.0 0 0.0 3 22
224!A 230 PHE F 0 0 999.9 111.7 180.0 999.9 999.9 999.9 0 0.0 222 -2.7 0 0.0 0 0.0 8 30
225 A 231 GLY G h > T - 0 0 -133.2 -162.3 -179.9 -54.7 999.9 124.2 0 0.0 229 -2.2 0 0.0 0 0.0 10 40
226 A 232 PRO P H H > TS+ 0 0 -47.7 -45.7 -179.4 52.4 130.4 28.9 0 0.0 230 -2.1 0 0.0 0 0.0 11 52
227 A 233 ALA A H H > TS+ 0 0 -59.9 -45.0 179.6 47.1 110.2 24.1 0 0.0 231 -2.0 0 0.0 0 0.0 12 50
228 A 234 ALA A H H > TS+ 0 0 -65.3 -36.3 -179.9 53.3 110.4 31.0 0 0.0 232 -1.8 0 0.0 0 0.0 10 41
229 A 235 ALA A H H X TS+ 0 0 -66.7 -38.0 179.4 50.2 108.3 29.0 225 -2.2 233 -1.5 0 0.0 0 0.0 12 51
230 A 236 ILE I H H X TS+ 0 0 -66.4 -42.9 178.9 50.1 109.4 24.0 226 -2.1 234 -2.4 0 0.0 0 0.0 10 64
231 A 237 LEU L H H X TS+ 0 0 -61.8 -37.5 179.6 59.8 105.1 28.7 227 -2.0 235 -2.8 0 0.0 0 0.0 11 57
232 A 238 ASN N H H X TS+ 0 0 -56.6 -45.4 -180.0 42.0 109.1 24.1 228 -1.8 236 -1.4 0 0.0 0 0.0 8 51
233 A 239 VAL V H H X TS+ 0 0 -71.1 -41.1 179.2 53.1 112.5 26.6 229 -1.5 237 -1.6 0 0.0 0 0.0 8 63
234 A 240 VAL V H H X TS+ 0 0 -60.8 -42.7 179.3 48.9 109.7 23.2 230 -2.4 238 -2.5 0 0.0 0 0.0 8 66
235 A 241 ARG R H H X TS+ 0 0 -64.7 -33.9 179.9 56.9 106.6 31.3 231 -2.8 239 -1.9 0 0.0 0 0.0 10 46
236 A 242 CYS C H H < >TS+ 0 0 -65.2 -34.6 179.6 43.1 112.1 30.9 232 -1.4 241 -2.0 0 0.0 0 0.0 14 42
237 A 243 ILE I H H < >5TS+ 0 0 -76.7 -53.9 -178.8 43.6 115.2 17.1 233 -1.6 240 -1.1 0 0.0 0 0.0 13 50
238 A 244 VAL V H H < 35TS+ 0 0 -63.6 -30.0 179.9 42.5 121.3 36.1 234 -2.5 0 0.0 0 0.0 0 0.0 10 40
239 A 245 ASN N T h < 35TS- 0 0 -96.9 2.4 178.3 -132.2 102.5 68.6 235 -1.9 0 0.0 0 0.0 0 0.0 8 28
240 A 246 ASN N T T <5T + 0 0 46.9 51.4 -176.9 167.8 42.6 25.3 237 -1.1 0 0.0 0 0.0 0 0.0 11 28
241 A 247 GLU E t T - 0 273 -155.1 -165.1 -179.5 -55.8 69.4 143.5 273 -1.9 273 -2.2 0 0.0 0 0.0 15 40
271 A 277 ARG R T T 3 TS+ 0 0 -59.1 -21.8 -179.9 55.0 131.4 42.9 0 0.0 0 0.0 0 0.0 0 0.0 10 39
272 A 278 ASP D T T 3 TS- 0 0 -98.7 20.7 179.9 -125.6 109.9 81.7 0 0.0 0 0.0 0 0.0 0 0.0 10 40
273 A 279 GLY G E E DJ < TS+ 270 0 77.6 -133.6 178.9 15.9 83.6 125.5 270 -2.2 270 -1.9 0 0.0 275 -1.4 11 55
274 A 280 ILE I E E DJ + 269 0 -77.8 94.5 -178.9 176.8 68.2 129.9 141 -2.0 0 0.0 0 0.0 0 0.0 14 58
275 A 281 GLU E E E D* - 0 0 -76.4 -15.3 176.9 -11.6 65.3 48.9 268 -1.9 0 0.0 273 -1.4 0 0.0 10 39
276 A 282 GLU E E E DJ - 268 0 178.2 144.3 178.6 -123.4 57.1 147.3 268 -0.8 268 -2.4 0 0.0 278 -0.7 8 41
277 A 283 VAL V E E DJ - 267 0 -95.0 116.6 -178.4 -134.6 36.1 150.5 0 0.0 279 -0.8 0 0.0 0 0.0 12 47
278 A 284 VAL V e - 0 0 -78.3 109.2 180.0 -162.8 21.2 129.0 266 -1.8 0 0.0 276 -0.7 0 0.0 9 40
279 A 285 SER S + 0 0 -96.9 130.1 179.2 160.8 18.0 142.8 277 -0.8 0 0.0 0 0.0 0 0.0 7 39
280 A 286 ILE I - 0 0 -142.3 160.2 179.2 -88.1 45.3 163.3 0 0.0 0 0.0 0 0.0 0 0.0 5 33
281 A 287 GLU E - 0 0 -70.6 133.9 178.5 -158.9 43.1 121.1 0 0.0 0 0.0 0 0.0 0 0.0 4 28
282 A 288 LEU L - 0 0 -107.9 162.4 178.0 -98.0 23.9 134.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
283 A 289 ASP D h > T - 0 0 -76.1 162.0 -179.5 -97.0 43.4 112.5 0 0.0 287 -2.4 0 0.0 0 0.0 7 26
284 A 290 LYS K H H > TS+ 0 0 -41.9 -59.7 -178.8 43.2 122.7 27.2 0 0.0 288 -1.9 0 0.0 0 0.0 6 21
285 A 291 ASP D H H > TS+ 0 0 -62.0 -33.1 -179.4 53.8 112.6 35.3 0 0.0 289 -2.0 0 0.0 0 0.0 6 25
286 A 292 GLU E H H > TS+ 0 0 -70.4 -43.9 -179.9 46.6 108.8 23.6 0 0.0 290 -2.5 0 0.0 0 0.0 11 38
287 A 293 ILE I H H X TS+ 0 0 -66.8 -38.6 178.7 50.8 112.3 26.5 283 -2.4 291 -2.3 0 0.0 0 0.0 9 38
288 A 294 ILE I H H X TS+ 0 0 -62.1 -48.5 180.0 43.9 114.5 17.3 284 -1.9 292 -2.0 0 0.0 0 0.0 8 29
289 A 295 ALA A H H X TS+ 0 0 -64.2 -37.4 -180.0 53.4 112.2 30.0 285 -2.0 293 -2.5 0 0.0 0 0.0 10 38
290 A 296 PHE F H H X TS+ 0 0 -65.8 -41.9 178.7 48.3 108.7 25.5 286 -2.5 294 -2.5 0 0.0 0 0.0 12 52
291 A 297 ARG R H H X TS+ 0 0 -63.3 -42.9 179.2 51.9 111.0 23.2 287 -2.3 295 -2.2 0 0.0 0 0.0 10 43
292 A 298 LYS K H H X TS+ 0 0 -57.5 -47.9 179.8 48.2 110.5 20.7 288 -2.0 296 -1.7 0 0.0 0 0.0 9 36
293 A 299 SER S H H X TS+ 0 0 -60.4 -43.3 -179.5 51.7 110.1 25.1 289 -2.5 297 -2.0 0 0.0 0 0.0 12 48
294 A 300 ALA A H H X TS+ 0 0 -64.0 -35.4 179.6 53.9 107.0 30.7 290 -2.5 298 -2.6 0 0.0 0 0.0 13 51
295 A 301 GLU E H H X TS+ 0 0 -66.7 -37.6 179.2 50.5 107.3 29.8 291 -2.2 299 -1.2 0 0.0 0 0.0 8 40
296 A 302 ILE I H H X TS+ 0 0 -65.2 -45.3 -179.5 43.9 114.5 22.1 292 -1.7 300 -1.0 0 0.0 0 0.0 8 41
297 A 303 ILE I H H X TS+ 0 0 -67.7 -40.3 -179.8 60.1 106.5 27.8 293 -2.0 301 -2.3 0 0.0 0 0.0 13 56
298 A 304 LYS K H H X TS+ 0 0 -57.1 -36.5 -179.7 57.4 100.2 32.8 294 -2.6 302 -2.3 0 0.0 0 0.0 10 48
299 A 305 LYS K H H X TS+ 0 0 -62.9 -44.1 179.3 44.8 108.4 23.7 295 -1.2 303 -1.3 0 0.0 0 0.0 8 36
300 A 306 TYR Y H H X TS+ 0 0 -66.4 -42.6 -179.7 54.0 111.1 22.9 296 -1.0 304 -1.3 0 0.0 0 0.0 11 45
301 A 307 CYS C H H X > TS+ 0 0 -57.8 -44.0 179.7 50.9 107.2 24.1 297 -2.3 305 -1.6 0 0.0 304 -0.6 12 50
302 A 308 GLU E H H < 3 TS+ 0 0 -63.4 -31.1 -179.2 50.7 110.5 35.3 298 -2.3 0 0.0 0 0.0 0 0.0 8 37
303 A 309 GLU E H H < 3 TS+ 0 0 -82.2 -19.0 -179.5 34.2 118.6 47.9 299 -1.3 0 0.0 0 0.0 0 0.0 9 35
304 A 310 VAL V H H < X TS+ 0 0 -111.6 -7.4 -178.4 96.2 91.1 60.6 300 -1.3 307 -1.0 301 -0.6 0 0.0 11 42
305 A 311 LYS K T h < 3 TS+ 0 0 -49.8 -47.6 -177.8 35.8 91.8 29.6 301 -1.6 0 0.0 0 0.0 0 0.0 8 40
306 A 312 ASN N T T 3 T 0 0 -90.3 -2.8 179.9 999.9 999.9 61.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
307 A 313 LEU L t < T 0 0 -71.5 999.9 999.9 999.9 999.9 39.9 304 -1.0 0 0.0 0 0.0 0 0.0 8 33
1hyeA.pdb
1HYE OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEETTTSHHHHHHHHHHHT TT EEEEEE GGGHHHHHHHHHHHHHHHTTS EEEEEETT GGGGTT SEEEE S TT HHHHHHHHH Kabs/Sand
chirality ----++++-++++++++++++-++++----+--++++++++++++++++++++-+-+----+--++-++++++-+---+++-----++--+++++++++ chirality
bends SS SSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSS SS SSSS S S SS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3><3< >>3>3<< >3><3< >33X>>33< 3-turns
bridge-2 bbbb cccccc dddd bridge-2
bridge-1 aaaaa aaaaa cccccc bbbb bridge-1
sheets AAAAA AAAAAA AAAAAA AAAA sheets
4-turns >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< >>>>XXXXXX 4-turns
summary eEEEEEeTThHHHHHHHHHHHhtTTteEEEEEEgGGhHHHHHHHHHHHHHHHhTt EEEEEEeTgGGGGgTteEEEEe S tTTthHHHHHHHHH summary
sequence MKVTIIGASGRVGSATALLLAKEPFMKDLVLIGREHSINKLEGLREDIYDALAGTRSDANIYVESDENLRIIDESDVVIITSGVPRKEGMSRMDLAKTNA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHH EEEE SSSHHHHHHHHHHHHT TTSEEE TTHHHHHHHHHHHHHHHT GGGEE EEE SSTTEEE GGG EETTEEGGG G Kabs/Sand
chirality ++++++++++++--+----++-+-+++++++++++-+--++++--+-+++++++++++++++-+--+++++---++-+-++---++++----+--+++-+ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSS SSS S SSSS SSS SSSS SSS S bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTT TTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< >33< >>3<< >33<>>3 3-turns
bridge-2 eee A B HH bridge-2
bridge-1 dddd eee FF GGG GGG FF HH bridge-1
sheets AAAA AAA BB CCC CCC BB BB sheets
4-turns XXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHh EEEEeSShHHHHHHHHHHHHhttTTeEEEeThHHHHHHHHHHHHHHHhtgGGeEE eEEEeStTeEEEeGGGeEEeTEEeGGgG summary
sequence KIVGKYAKKIAEICDTKIFVITNPVDVMTYKALVDSKFERNQVFGLGTHLDSLRFKVAIAKFFGVHIDEVRTRIIGEHGDSMVPLLSATSIGGIPIQKFE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGGG HHHHHHHHHHHTTS HHHHHHHHHHHHHTT EEEEEEEEEESSSSS EEEEEEEEEEEETTEEEEE HHHHHHHHHHHHHHHHH Kabs/Sand
chirality ++++-++++++++++++++-- -+++++++++++++-+-+-+-+-+--+-++-+++++-+-+-+--+-+-++----+----+++++++++++++++++ chirality
bends SSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSS S SSS SSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >X<<< >33< >33< >33< 3-turns
bridge-2 A B JJJJ bridge-2
bridge-1 IIIIIIIIII I*IIIIIIIII JJ*JJ bridge-1
sheets DDDDDDDDDD DDDDDDDDDDDD DDDDD sheets
4-turns >>>>XXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXXXXXXXXXXX 4-turns
summary GGGGghHHHHHHHHHHHhTt hHHHHHHHHHHHHHhTt EEEEEEEEEEeSSSSeEEEEEEEEEEEETTEEEEEe hHHHHHHHHHHHHHHHHH summary
sequence RFKELPIDEIIEDVKTKGEQIIRFGPAAAILNVVRCIVNNEKRLLTLSAYVDGEFDGIRDVCIGVPVKIGRDGIEEVVSIELDKDEIIAFRKSAEIIKKY sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHTT Kabs/Sand
chirality +++++ chirality
bends SSSSS bends
turns TTTTTTT turns
5-turns 5-turns
3-turns >33X33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< 4-turns
summary HHHHhTt summary
sequence CEEVKNL sequence
Messages
chain break between 223(A 223 ) and 224(A 230 )