Secondary structure calculation program - copyright by David Keith Smith, 1989
2ayqA.pdb
2AYQ OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 356
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 0 999.9 168.4 179.8 999.9 999.9 999.9 0 0.0 35 -2.0 0 0.0 0 0.0 5 25
2 A 2 LYS K E E Aa - 35 0 -109.1 150.5 -179.8 -177.8 999.9 143.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
3 A 3 MET M E E Aa - 36 0 -153.1 115.6 179.9 -148.8 16.9 154.7 35 -2.2 37 -2.3 0 0.0 0 0.0 10 44
4 A 4 LYS K E E Aa - 37 0 -85.7 128.0 -177.9 -169.6 23.4 139.8 0 0.0 67 -2.9 0 0.0 68 -0.9 12 38
5 A 5 LEU L E E Aab - 38 68 -127.8 130.1 177.4 -140.1 20.5 167.0 37 -3.4 39 -2.1 0 0.0 0 0.0 14 54
6 A 6 ALA A E E Aab - 39 69 -82.5 131.9 -179.9 -158.4 20.0 134.0 68 -1.9 70 -2.8 0 0.0 8 -0.6 15 55
7 A 7 VAL V E E Aab + 40 70 -118.1 107.6 -179.8 176.9 15.1 162.2 39 -2.6 41 -1.7 0 0.0 0 0.0 11 63
8 A 8 LEU L E E A b + 0 71 -112.6 82.2 -179.7 178.5 2.2 136.4 70 -2.4 72 -2.4 6 -0.6 0 0.0 12 69
9 A 9 PRO P E E A * - 0 0 -54.6 -24.0 -179.7 -167.2 22.3 45.8 0 0.0 73 -1.0 0 0.0 0 0.0 15 67
10 A 10 GLY G E E A b - 0 73 69.4 -142.9 -178.9 -56.6 30.1 114.0 0 0.0 0 0.0 0 0.0 0 0.0 15 64
11 A 11 ASP D S e > TS+ 0 0 -132.3 175.1 -178.7 27.7 94.5 139.6 73 -2.4 14 -1.4 0 0.0 0 0.0 17 56
12 A 12 GLY G T T 3 TS- 0 0 72.8 -140.6 178.9 -13.8 132.0 120.9 0 0.0 0 0.0 0 0.0 0 0.0 14 49
13 A 13 ILE I T h > > TS+ 0 0 -69.9 -6.0 -179.5 102.4 116.1 54.7 281 -3.6 17 -2.2 0 0.0 16 -0.8 15 53
14 A 14 GLY G H H > < TS+ 0 0 -42.2 -59.1 179.9 42.4 79.9 28.0 11 -1.4 18 -2.4 0 0.0 0 0.0 14 63
15 A 15 PRO P H H > 3 TS+ 0 0 -63.6 -26.0 180.0 57.3 112.3 40.4 0 0.0 19 -1.0 0 0.0 0 0.0 11 58
16 A 16 GLU E H H > < TS+ 0 0 -69.0 -52.5 -179.5 35.8 113.3 19.5 13 -0.8 20 -1.0 0 0.0 0 0.0 13 53
17 A 17 VAL V H H X TS+ 0 0 -69.7 -36.9 -179.8 62.3 111.5 30.0 13 -2.2 21 -1.7 0 0.0 0 0.0 16 63
18 A 18 MET M H H X TS+ 0 0 -59.1 -31.6 179.8 59.3 97.8 35.1 14 -2.4 22 -1.9 0 0.0 0 0.0 13 64
19 A 19 ASP D H H X TS+ 0 0 -60.6 -57.3 -179.5 49.7 103.0 11.9 15 -1.0 23 -2.6 0 0.0 0 0.0 8 55
20 A 20 ALA A H H X TS+ 0 0 -49.6 -46.2 179.7 53.4 108.5 29.8 16 -1.0 24 -2.8 0 0.0 0 0.0 13 58
21 A 21 ALA A H H X TS+ 0 0 -57.4 -44.2 -179.4 47.7 110.8 22.6 17 -1.7 25 -2.9 0 0.0 0 0.0 12 72
22 A 22 ILE I H H X TS+ 0 0 -64.1 -47.6 179.8 46.7 113.1 20.7 18 -1.9 26 -2.3 0 0.0 0 0.0 8 61
23 A 23 ARG R H H X TS+ 0 0 -58.6 -57.8 179.4 43.2 116.5 13.9 19 -2.6 27 -2.7 0 0.0 0 0.0 8 50
24 A 24 VAL V H H X TS+ 0 0 -51.9 -53.3 179.6 55.2 112.2 19.9 20 -2.8 28 -2.6 0 0.0 0 0.0 13 54
25 A 25 LEU L H H X TS+ 0 0 -47.9 -45.7 -179.4 45.1 110.5 29.6 21 -2.9 29 -2.9 0 0.0 0 0.0 9 68
26 A 26 LYS K H H X TS+ 0 0 -67.4 -43.6 -179.9 55.3 109.4 22.1 22 -2.3 30 -2.2 0 0.0 0 0.0 9 46
27 A 27 THR T H H < TS+ 0 0 -55.8 -42.4 -179.4 38.8 116.0 26.6 23 -2.7 0 0.0 0 0.0 0 0.0 10 41
28 A 28 VAL V H H < > TS+ 0 0 -74.4 -51.2 -178.3 53.1 113.2 19.6 24 -2.6 31 -1.1 0 0.0 0 0.0 11 51
29 A 29 LEU L H H < >>TS+ 0 0 -57.4 -31.4 180.0 66.4 97.1 39.0 25 -2.9 32 -0.9 0 0.0 34 -0.6 12 43
30 A 30 ASP D T h < 35TS+ 0 0 -81.5 27.7 179.3 87.6 79.8 83.6 26 -2.2 0 0.0 0 0.0 0 0.0 9 29
31 A 31 ASN N T T <5TS+ 0 0 -90.6 -38.8 -179.8 12.1 105.1 34.4 28 -1.1 0 0.0 0 0.0 0 0.0 7 27
32 A 32 ASP D T T <5TS- 0 0 -140.7 65.6 179.2 -71.5 122.9 120.9 29 -0.9 0 0.0 0 0.0 0 0.0 5 23
33 A 33 GLY G T T 5T + 0 0 46.4 71.7 178.8 165.9 69.0 22.1 0 0.0 35 -0.5 0 0.0 0 0.0 7 18
34 A 34 HIS H t > T + 0 0 -165.1 162.3 180.0 9.2 46.8 164.6 0 0.0 47 -0.9 0 0.0 46 -0.7 19 60
44 A 44 GLY G H H > > TS- 0 0 59.3 -152.8 -179.6 -11.8 122.8 96.3 54 -1.3 48 -2.2 0 0.0 47 -0.6 19 60
45 A 45 GLY G H H > 3 TS+ 0 0 -46.2 -44.7 179.7 58.1 134.5 34.8 0 0.0 49 -1.9 0 0.0 0 0.0 16 52
46 A 46 ALA A H H > < TS+ 0 0 -52.7 -51.4 180.0 44.7 110.0 18.6 43 -0.7 50 -1.6 0 0.0 0 0.0 11 48
47 A 47 ALA A H H < <>TS+ 0 0 -59.6 -45.8 179.7 63.2 104.4 23.6 43 -0.9 52 -0.7 44 -0.6 0 0.0 14 47
48 A 48 ILE I H H X >5TS+ 0 0 -47.5 -42.6 179.6 43.7 108.2 28.3 44 -2.2 52 -1.5 0 0.0 51 -0.7 14 43
49 A 49 ASP D H H < 35TS+ 0 0 -66.8 -70.3 -177.7 35.9 120.3 3.9 45 -1.9 51 -0.8 0 0.0 0 0.0 8 31
50 A 50 GLU E T h < 35TS+ 0 0 -77.7 32.2 179.5 17.5 137.6 89.3 46 -1.6 0 0.0 0 0.0 0 0.0 6 25
51 A 51 ALA A T T 4 <5TS- 0 0 -172.5 -15.1 179.3 -118.9 94.3 70.6 49 -0.8 0 0.0 48 -0.7 0 0.0 8 26
52 A 52 GLY G S t < > T - 0 0 -69.7 135.7 179.5 -130.3 21.0 119.6 0 0.0 60 -1.4 0 0.0 59 -0.8 11 42
57 A 57 GLU E H H > 3 TS+ 0 0 -54.2 -31.7 179.0 64.0 110.2 34.0 0 0.0 61 -2.1 0 0.0 0 0.0 6 33
58 A 58 GLU E H H > 3 TS+ 0 0 -57.5 -46.3 179.9 52.7 98.8 19.5 0 0.0 62 -2.4 0 0.0 0 0.0 7 32
59 A 59 THR T H H > < TS+ 0 0 -57.8 -41.3 178.8 54.2 105.9 28.3 56 -0.8 63 -2.9 0 0.0 0 0.0 11 49
60 A 60 LEU L H H X TS+ 0 0 -60.4 -45.2 179.7 47.9 108.2 23.0 56 -1.4 64 -3.4 0 0.0 0 0.0 11 45
61 A 61 ASP D H H X TS+ 0 0 -61.4 -43.2 179.2 52.6 110.6 21.9 57 -2.1 65 -1.3 0 0.0 0 0.0 8 30
62 A 62 ILE I H H < > TS+ 0 0 -54.3 -52.9 180.0 43.6 114.1 16.2 58 -2.4 65 -0.8 0 0.0 0 0.0 11 38
63 A 63 CYS C H H < > TS+ 0 0 -58.3 -52.5 -178.7 58.2 106.9 21.2 59 -2.9 66 -2.6 0 0.0 0 0.0 11 48
64 A 64 ARG R H H < 3 TS+ 0 0 -54.3 -22.8 179.7 46.9 109.4 45.8 60 -3.4 0 0.0 0 0.0 0 0.0 7 39
65 A 65 ARG R T h < < TS+ 0 0 -105.0 13.8 179.8 95.4 96.3 76.5 61 -1.3 0 0.0 62 -0.8 0 0.0 7 32
66 A 66 SER S S t < TS- 0 0 -107.4 150.1 179.6 -136.9 70.8 141.0 63 -2.6 0 0.0 0 0.0 0 0.0 11 41
67 A 67 ASP D S S S- 0 0 -70.1 -31.2 179.3 -12.9 90.6 36.4 4 -2.9 0 0.0 0 0.0 0 0.0 11 48
68 A 68 ALA A E E Ab - 5 0 -163.5 158.4 -179.7 -123.2 69.8 163.3 4 -0.9 6 -1.9 0 0.0 70 -0.5 14 61
69 A 69 ILE I E E Abc - 6 274 -121.4 120.4 177.4 -160.1 14.5 162.5 273 -2.7 275 -2.4 0 0.0 0 0.0 13 69
70 A 70 LEU L E E Abc - 7 275 -90.1 145.1 -178.7 -170.3 17.8 136.3 6 -2.8 8 -2.4 68 -0.5 0 0.0 15 78
71 A 71 LEU L E E Ab - 8 0 -140.2 148.1 177.5 -164.2 21.0 168.7 275 -2.2 0 0.0 0 0.0 0 0.0 14 79
72 A 72 GLY G E E A* - 0 0 -92.1 -107.3 179.2 -70.3 51.8 53.4 8 -2.4 0 0.0 0 0.0 0 0.0 17 71
73 A 73 ALA A E E Ab - 10 0 -151.8 159.4 179.8 -142.3 34.5 165.4 9 -1.0 11 -2.4 0 0.0 0 0.0 15 70
74 A 74 VAL V + 0 0 -125.9 154.4 -179.6 79.8 46.7 156.1 0 0.0 0 0.0 0 0.0 0 0.0 16 59
75 A 75 GLY G + 0 0 129.7 154.9 180.0 170.7 32.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 15 52
76 A 76 GLY G h > T - 0 0 173.9 155.7 -179.8 -108.7 44.2 149.4 0 0.0 80 -1.0 0 0.0 0 0.0 13 43
77 A 77 PRO P H H > TS+ 0 0 -63.3 -42.2 -179.6 66.2 110.3 26.3 0 0.0 81 -0.6 0 0.0 0 0.0 6 30
78 A 78 LYS K H H 4 > TS+ 0 0 -45.8 -53.3 -177.8 30.2 111.4 27.0 0 0.0 81 -0.5 0 0.0 0 0.0 6 31
79 A 79 TRP W H H 4 > TS+ 0 0 -89.9 -10.3 -179.0 86.6 97.2 53.6 0 0.0 82 -1.6 0 0.0 0 0.0 11 36
80 A 80 ASP D H H < 3 TS+ 0 0 -65.0 -17.6 179.9 52.9 88.5 48.8 76 -1.0 0 0.0 0 0.0 0 0.0 9 30
81 A 81 HIS H T h < < TS+ 0 0 -102.2 10.7 178.3 85.5 93.3 72.9 77 -0.6 0 0.0 78 -0.5 0 0.0 6 18
82 A 82 ASN N S g < TS- 0 0 -97.7 -178.6 -179.9 -60.2 94.7 109.3 79 -1.6 0 0.0 0 0.0 0 0.0 7 22
83 A 83 PRO P g > T - 0 0 -65.1 153.9 -179.7 -109.4 48.8 109.7 0 0.0 86 -2.4 0 0.0 0 0.0 6 22
84 A 84 ALA A G G > TS+ 0 0 -49.5 -34.4 -179.5 57.2 117.9 40.0 0 0.0 87 -1.1 0 0.0 0 0.0 5 26
85 A 85 SER S G G 3 TS+ 0 0 -73.7 -20.3 179.8 46.9 107.8 46.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
86 A 86 LEU L G G < TS+ 0 0 -107.5 21.1 179.3 119.3 85.1 85.8 83 -2.4 0 0.0 0 0.0 0 0.0 11 34
87 A 87 ARG R g X T - 0 0 -90.3 132.2 -179.5 -129.2 69.2 140.8 84 -1.1 90 -1.1 0 0.0 0 0.0 15 38
88 A 88 PRO P T h > > TS+ 0 0 -48.1 -34.3 -178.8 68.6 100.5 44.0 0 0.0 92 -0.9 0 0.0 91 -0.9 16 51
89 A 89 GLU E H H > > TS+ 0 0 -57.8 -46.4 -179.5 61.0 89.3 25.3 0 0.0 93 -2.2 0 0.0 92 -0.8 10 48
90 A 90 LYS K H H > < TS+ 0 0 -55.8 -25.7 179.1 62.9 95.9 40.0 87 -1.1 94 -3.4 0 0.0 0 0.0 12 40
91 A 91 GLY G H H > < TS+ 0 0 -64.1 -44.9 179.1 42.9 107.6 18.3 88 -0.9 95 -2.9 0 0.0 0 0.0 13 52
92 A 92 LEU L H H X < TS+ 0 0 -62.5 -56.9 -179.5 46.8 116.2 9.8 88 -0.9 96 -2.6 89 -0.8 0 0.0 12 63
93 A 93 LEU L H H X TS+ 0 0 -50.9 -50.1 179.7 48.8 114.5 23.2 89 -2.2 97 -2.5 0 0.0 0 0.0 8 46
94 A 94 GLY G H H X TS+ 0 0 -56.3 -55.2 -179.3 49.7 109.6 17.5 90 -3.4 98 -3.5 0 0.0 0 0.0 9 43
95 A 95 LEU L H H X TS+ 0 0 -52.1 -42.4 -179.5 49.5 111.9 27.1 91 -2.9 99 -2.2 0 0.0 0 0.0 10 58
96 A 96 ARG R H H X >TS+ 0 0 -64.0 -40.8 179.2 46.2 113.5 26.8 92 -2.6 101 -1.9 0 0.0 100 -0.6 10 53
97 A 97 LYS K H H < >5TS+ 0 0 -67.7 -43.6 -178.9 51.7 111.4 22.0 93 -2.5 100 -0.9 0 0.0 0 0.0 8 36
98 A 98 GLU E H H < 35TS+ 0 0 -63.2 -36.1 179.8 46.0 112.1 33.0 94 -3.5 0 0.0 0 0.0 0 0.0 7 37
99 A 99 MET M H H < 35TS- 0 0 -83.5 -10.4 179.8 -127.6 108.4 56.1 95 -2.2 0 0.0 0 0.0 0 0.0 7 43
100 A 100 GLY G T h < <5T + 0 0 63.4 50.6 179.9 171.6 41.6 19.6 97 -0.9 102 -0.6 96 -0.6 0 0.0 7 38
101 A 101 LEU L t > T - 0 0 -127.9 111.8 -177.9 -140.4 17.5 167.6 0 0.0 114 -2.5 0 0.0 115 -0.8 11 56
112 A 112 ALA A G G 4 > TS+ 0 0 -38.0 -47.4 -178.5 56.9 99.6 35.7 0 0.0 115 -1.3 0 0.0 0 0.0 7 44
113 A 113 THR T G G 4 3 TS+ 0 0 -63.4 -22.2 -179.8 46.4 109.0 43.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
114 A 114 LEU L G G > X TS+ 0 0 -98.3 -5.2 -178.7 98.4 83.5 58.8 111 -2.5 117 -1.5 0 0.0 118 -1.1 15 51
115 A 115 LEU L T g < < TS+ 0 0 -52.9 -36.1 179.2 58.5 76.7 35.7 112 -1.3 0 0.0 111 -0.8 0 0.0 13 39
116 A 116 ASN N T T 4 3 TS+ 0 0 -63.5 -31.6 -177.8 47.9 108.2 35.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
117 A 117 ALA A T T 4 < TS+ 0 0 -83.3 -23.3 179.8 110.4 84.9 46.9 114 -1.5 0 0.0 0 0.0 0 0.0 8 37
118 A 118 SER S S t < TS- 0 0 -52.5 148.3 179.6 -133.1 70.1 96.6 114 -1.1 0 0.0 0 0.0 0 0.0 14 41
119 A 119 PRO P S S S+ 0 0 -75.6 -22.9 180.0 77.0 88.0 40.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
120 A 120 LEU L S S S- 0 0 -87.1 151.0 178.5 -94.7 99.8 125.2 255 -0.7 0 0.0 0 0.0 0 0.0 9 36
121 A 121 LYS K h > > T - 0 0 -65.3 133.6 179.8 -109.4 43.1 116.4 0 0.0 124 -2.9 0 0.0 125 -1.3 7 28
122 A 122 ARG R H H > 3 TS+ 0 0 -28.0 -51.0 -177.5 59.9 115.0 41.1 0 0.0 126 -2.2 0 0.0 0 0.0 9 30
123 A 123 GLU E H H 4 3 TS+ 0 0 -58.0 -30.4 -178.7 40.8 110.9 41.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
124 A 124 ARG R H H 4 < TS+ 0 0 -84.2 -51.6 -178.0 39.9 118.7 23.5 121 -2.9 0 0.0 0 0.0 0 0.0 12 36
125 A 125 VAL V H H < > TS+ 0 0 -72.8 -24.9 179.5 100.4 92.9 46.0 121 -1.3 128 -1.5 0 0.0 0 0.0 16 42
126 A 126 GLU E T h < 3 TS+ 0 0 -60.6 149.8 179.3 19.1 87.6 105.9 122 -2.2 0 0.0 0 0.0 0 0.0 12 36
127 A 127 ASN N T T 3 TS+ 0 0 69.2 -2.3 179.0 153.2 85.3 64.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
128 A 128 VAL V e < T + 0 0 -59.2 140.2 178.5 156.8 6.6 108.3 125 -1.5 110 -2.5 0 0.0 0 0.0 11 49
129 A 129 ASP D E E AE + 109 0 -167.2 76.1 -178.7 140.3 16.6 107.7 0 0.0 0 0.0 0 0.0 0 0.0 11 52
130 A 130 LEU L E E AE - 108 0 -120.0 172.3 178.9 -149.0 34.9 133.4 108 -2.5 108 -2.8 0 0.0 0 0.0 13 61
131 A 131 VAL V E E AEf - 107 237 -143.0 126.9 178.5 -150.6 9.5 173.6 236 -1.9 238 -3.0 0 0.0 133 -0.6 11 69
132 A 132 ILE I E E AEf - 106 238 -102.5 124.3 179.1 -159.6 8.0 154.9 106 -1.4 106 -2.3 0 0.0 134 -0.6 14 71
133 A 133 VAL V E E AEf - 105 239 -104.3 117.9 -179.8 -168.7 13.8 159.7 238 -3.1 240 -1.8 131 -0.6 0 0.0 14 71
134 A 134 ARG R E E AEf - 104 240 -113.1 140.1 178.5 -126.1 22.1 154.2 104 -2.4 104 -3.0 132 -0.6 0 0.0 14 63
135 A 135 GLU E E E AE - 103 0 -79.4 132.3 -178.0 -179.7 27.2 133.5 240 -1.8 0 0.0 0 0.0 0 0.0 14 62
136 A 136 LEU L e + 0 0 -104.0 -34.1 -176.2 61.1 62.1 39.7 102 -3.1 0 0.0 0 0.0 0 0.0 10 58
137 A 137 THR T S S S+ 0 0 -68.1 -46.1 -178.1 18.3 103.7 32.9 0 0.0 0 0.0 0 0.0 0 0.0 8 48
138 A 138 GLY G S S S+ 0 0 -111.4 -152.2 179.0 84.3 72.5 98.9 0 0.0 0 0.0 0 0.0 0 0.0 14 45
139 A 139 GLY G B B A > TS- 161 0 94.7 -165.1 -179.0 -31.3 97.3 117.3 161 -2.3 161 -0.9 0 0.0 142 -0.7 13 46
140 A 140 LEU L T T 3 TS+ 0 0 -68.9 -13.6 -179.6 67.7 128.3 53.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
141 A 141 TYR Y T T 3 TS+ 0 0 -77.1 -34.2 179.9 30.2 110.0 32.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
142 A 142 PHE F S t < TS+ 0 0 -125.8 75.9 -179.5 107.3 95.5 132.5 139 -0.7 0 0.0 0 0.0 0 0.0 10 28
143 A 143 GLY G - 0 0 -159.5 123.2 178.9 -126.4 51.1 153.3 0 0.0 159 -1.2 0 0.0 0 0.0 12 24
144 A 144 A ARG R S S S+ 0 0 -107.6 163.1 0.0 70.5 77.1 137.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
145 A 145 PRO P + 0 0 -64.3 148.3 -179.8 151.1 62.3 63.9 0 0.0 0 0.0 0 0.0 0 0.0 7 21
146 A 146 SER S + 0 0 -150.7 66.8 -179.1 103.9 32.5 120.5 0 0.0 0 0.0 0 0.0 0 0.0 9 21
147 A 147 GLU E S e S- 0 0 -140.0 -179.4 178.8 -93.2 74.6 143.9 0 0.0 157 -1.8 0 0.0 149 -0.7 8 20
148 A 148 ARG R E E BG - 156 0 -104.6 105.8 -179.2 -151.1 42.8 154.4 0 0.0 0 0.0 0 0.0 0 0.0 9 15
149 A 149 ARG R E E BG - 155 0 -78.0 147.4 -180.0 -83.0 27.4 117.6 155 -0.9 155 -1.0 147 -0.7 0 0.0 10 15
150 A 150 GLY G S S S+ 0 0 -71.3 179.3 0.0 92.9 82.7 96.9 0 0.0 0 0.0 0 0.0 0 0.0 7 12
151 A 151 PRO P S t > TS- 0 0 -71.5 146.3 -179.6 -23.3 136.1 62.5 0 0.0 154 -2.6 0 0.0 0 0.0 6 10
152 A 152 GLY G T T 3 TS- 0 0 53.0 23.5 -179.2 -80.5 110.5 42.0 0 0.0 0 0.0 0 0.0 0 0.0 5 9
153 A 153 GLU E T T 3 TS+ 0 0 53.5 30.3 -179.1 151.0 87.0 40.3 0 0.0 0 0.0 0 0.0 0 0.0 8 13
154 A 154 ASN N t < T + 0 0 -82.2 32.9 179.9 62.6 54.7 89.2 151 -2.6 0 0.0 0 0.0 0 0.0 8 11
155 A 155 GLU E E E BG - 149 0 -154.2 140.9 -179.8 -171.9 64.3 166.9 149 -1.0 149 -0.9 0 0.0 0 0.0 8 14
156 A 156 VAL V E E BG - 148 0 -139.1 152.1 179.9 -176.8 2.7 165.6 0 0.0 0 0.0 0 0.0 0 0.0 9 18
157 A 157 VAL V e - 0 0 -148.6 157.4 177.6 -168.8 12.2 171.0 147 -1.8 0 0.0 0 0.0 0 0.0 9 21
158 A 158 ASP D - 0 0 -141.2 149.0 -177.7 -135.0 22.0 165.2 0 0.0 0 0.0 0 0.0 0 0.0 10 22
159 A 159 THR T - 0 0 -120.2 133.8 178.1 -154.9 6.1 156.8 143 -1.2 161 -0.8 0 0.0 0 0.0 11 28
160 A 160 LEU L + 0 0 -101.4 106.8 -178.8 174.4 29.9 156.7 0 0.0 0 0.0 0 0.0 0 0.0 11 39
161 A 161 ALA A B B A + 139 0 -123.2 136.4 179.4 166.9 9.3 166.0 139 -0.9 139 -2.3 159 -0.8 0 0.0 10 33
162 A 162 TYR Y - 0 0 -141.9 152.2 179.2 -139.0 23.0 168.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
163 A 163 THR T h > T - 0 0 -113.1 149.6 179.7 -114.5 29.1 151.3 0 0.0 167 -1.8 0 0.0 0 0.0 6 35
164 A 164 ARG R H H > TS+ 0 0 -47.8 -40.3 -179.5 49.5 118.1 30.0 0 0.0 168 -2.7 0 0.0 0 0.0 6 31
165 A 165 GLU E H H > TS+ 0 0 -69.6 -41.8 -179.9 57.4 103.3 25.9 0 0.0 169 -2.4 0 0.0 0 0.0 6 33
166 A 166 GLU E H H > TS+ 0 0 -56.6 -35.5 179.7 40.1 115.1 29.7 0 0.0 170 -1.0 0 0.0 0 0.0 10 46
167 A 167 ILE I H H X TS+ 0 0 -78.4 -52.7 -179.5 55.1 110.8 17.4 163 -1.8 171 -2.3 0 0.0 0 0.0 11 54
168 A 168 GLU E H H X TS+ 0 0 -47.3 -47.1 -178.3 47.3 110.0 29.4 164 -2.7 172 -2.2 0 0.0 0 0.0 11 45
169 A 169 ARG R H H X TS+ 0 0 -66.5 -40.9 -179.1 50.5 110.0 28.2 165 -2.4 173 -2.1 0 0.0 0 0.0 9 50
170 A 170 ILE I H H X TS+ 0 0 -65.9 -39.4 180.0 45.5 114.1 24.5 166 -1.0 174 -2.2 0 0.0 0 0.0 13 62
171 A 171 ILE I H H X TS+ 0 0 -71.9 -40.3 179.3 51.5 110.7 26.2 167 -2.3 175 -2.8 0 0.0 0 0.0 12 68
172 A 172 GLU E H H X TS+ 0 0 -63.3 -39.8 179.5 49.5 111.0 21.9 168 -2.2 176 -2.5 0 0.0 0 0.0 9 55
173 A 173 LYS K H H X TS+ 0 0 -61.2 -48.8 179.4 51.4 109.9 17.2 169 -2.1 177 -2.2 0 0.0 0 0.0 11 59
174 A 174 ALA A H H X TS+ 0 0 -53.1 -51.0 179.0 49.4 109.8 22.3 170 -2.2 178 -2.3 0 0.0 0 0.0 13 71
175 A 175 PHE F H H X TS+ 0 0 -54.3 -51.6 -179.4 51.8 109.4 18.3 171 -2.8 179 -2.3 0 0.0 0 0.0 13 58
176 A 176 GLN Q H H X TS+ 0 0 -55.8 -37.1 179.4 49.9 109.7 31.8 172 -2.5 180 -0.7 0 0.0 0 0.0 8 48
177 A 177 LEU L H H < > TS+ 0 0 -70.4 -39.4 179.9 51.6 108.6 26.2 173 -2.2 180 -0.8 0 0.0 0 0.0 9 61
178 A 178 ALA A H H < >>TS+ 0 0 -63.3 -37.3 -179.4 61.3 102.8 27.5 174 -2.3 183 -2.5 0 0.0 181 -1.4 14 47
179 A 179 GLN Q H H < 35TS+ 0 0 -61.1 -28.4 179.2 44.6 106.4 41.3 175 -2.3 0 0.0 0 0.0 0 0.0 11 37
180 A 180 ILE I T h < <5TS+ 0 0 -94.1 -4.5 179.3 41.9 121.9 62.6 177 -0.8 0 0.0 176 -0.7 0 0.0 7 39
181 A 181 ARG R T T <5TS- 0 0 -110.9 -133.8 -178.8 -44.0 128.1 86.1 178 -1.4 0 0.0 0 0.0 0 0.0 8 42
182 A 182 ARG R T T 5TS- 0 0 -87.3 10.7 178.3 -117.5 74.6 71.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
183 A 183 LYS K S e > T + 0 0 -131.7 47.8 -177.5 155.8 50.5 109.5 0 0.0 193 -2.4 0 0.0 194 -2.1 10 38
191 A 191 ALA A T T 4 3 T + 0 0 -62.8 7.1 178.9 68.1 61.5 72.6 0 0.0 0 0.0 0 0.0 0 0.0 13 33
192 A 192 ASN N T T 4 3 TS+ 0 0 -102.2 -9.0 -178.9 8.6 122.7 56.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
193 A 193 VAL V T T 4 < TS+ 0 0 -132.7 -56.4 -178.9 76.1 110.4 52.8 190 -2.4 0 0.0 0 0.0 0 0.0 7 19
194 A 194 LEU L h X T - 0 0 -72.1 123.7 179.3 -154.8 58.7 122.2 190 -2.1 198 -2.3 0 0.0 0 0.0 8 30
195 A 195 GLU E H H > TS+ 0 0 -65.6 -29.4 178.5 56.4 99.0 37.7 0 0.0 199 -2.1 0 0.0 0 0.0 7 27
196 A 196 SER S H H > TS+ 0 0 -67.6 -40.4 178.6 46.4 108.9 24.3 0 0.0 200 -2.3 0 0.0 0 0.0 10 42
197 A 197 SER S H H > TS+ 0 0 -67.2 -39.5 179.3 55.8 108.3 27.8 0 0.0 201 -3.0 0 0.0 0 0.0 12 46
198 A 198 ARG R H H X TS+ 0 0 -58.6 -43.0 179.5 42.5 112.5 22.1 194 -2.3 202 -1.7 0 0.0 0 0.0 12 33
199 A 199 MET M H H X TS+ 0 0 -70.5 -37.2 179.7 57.0 111.0 29.7 195 -2.1 203 -2.5 0 0.0 0 0.0 9 37
200 A 200 TRP W H H X TS+ 0 0 -58.5 -53.4 -179.1 46.4 107.5 15.7 196 -2.3 204 -3.0 0 0.0 0 0.0 11 56
201 A 201 ARG R H H X TS+ 0 0 -58.3 -41.8 178.9 55.1 109.7 27.2 197 -3.0 205 -2.8 0 0.0 0 0.0 12 47
202 A 202 GLU E H H X TS+ 0 0 -55.0 -51.8 -179.2 42.1 112.8 16.7 198 -1.7 206 -2.1 0 0.0 0 0.0 8 40
203 A 203 ILE I H H X TS+ 0 0 -63.4 -41.0 179.9 54.8 111.6 27.3 199 -2.5 207 -2.7 0 0.0 0 0.0 11 42
204 A 204 ALA A H H X TS+ 0 0 -58.6 -43.4 -179.5 49.4 108.9 22.7 200 -3.0 208 -1.8 0 0.0 0 0.0 11 54
205 A 205 GLU E H H X TS+ 0 0 -62.8 -44.3 -179.6 48.3 111.6 24.5 201 -2.8 209 -0.8 0 0.0 0 0.0 9 40
206 A 206 GLU E H H X > TS+ 0 0 -65.6 -41.7 -179.5 51.4 109.5 27.1 202 -2.1 209 -0.8 0 0.0 210 -0.6 8 33
207 A 207 THR T H H X > TS+ 0 0 -65.6 -33.1 -179.6 69.8 96.9 30.4 203 -2.7 210 -1.3 0 0.0 211 -0.8 12 41
208 A 208 ALA A H H < > TS+ 0 0 -52.3 -36.3 -179.6 63.0 90.0 31.7 204 -1.8 211 -1.0 0 0.0 0 0.0 11 39
209 A 209 LYS K H H < < TS+ 0 0 -58.9 -37.8 -179.6 52.4 99.2 32.0 205 -0.8 0 0.0 206 -0.8 0 0.0 7 26
210 A 210 LYS K H H < < TS+ 0 0 -72.5 -20.2 -180.0 44.0 114.7 45.6 207 -1.3 0 0.0 206 -0.6 0 0.0 6 27
211 A 211 TYR Y h < X T + 0 0 -125.8 71.5 -179.7 163.8 67.0 127.6 208 -1.0 214 -1.5 207 -0.8 0 0.0 8 32
212 A 212 PRO P T T 3 TS+ 0 0 -63.2 -17.0 -179.8 66.3 70.3 52.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
213 A 213 ASP D T T 3 TS+ 0 0 -91.0 11.5 179.6 83.0 87.6 74.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
214 A 214 VAL V S t < TS- 0 0 -121.6 128.8 -179.7 -132.5 76.0 165.5 211 -1.5 216 -0.7 0 0.0 0 0.0 12 36
215 A 215 GLU E E E Ah - 184 0 -80.1 113.4 179.7 -160.3 25.7 132.3 183 -2.4 185 -2.3 0 0.0 0 0.0 8 38
216 A 216 LEU L E E Ah + 185 0 -98.7 140.3 179.2 177.8 12.3 142.3 214 -0.7 0 0.0 0 0.0 0 0.0 10 45
217 A 217 SER S E E Ah - 186 0 -138.1 146.2 179.7 -142.3 19.8 168.1 185 -1.9 187 -3.0 0 0.0 219 -0.5 7 44
218 A 218 HIS H E E Ah + 187 0 -114.8 120.9 179.8 175.2 23.8 162.8 0 0.0 0 0.0 0 0.0 0 0.0 9 45
219 A 219 MET M E E Ah - 188 0 -123.6 148.8 177.7 -116.4 32.0 158.6 187 -2.5 189 -2.4 217 -0.5 0 0.0 10 45
220 A 220 LEU L E E >Ah > T - 189 0 -81.1 142.9 -179.2 -117.8 30.1 128.7 0 0.0 224 -2.7 0 0.0 223 -0.5 10 40
221 A 221 VAL V H H > 3 TS+ 0 0 -45.0 -48.5 -179.2 51.9 113.9 25.8 189 -2.1 225 -1.7 0 0.0 0 0.0 10 46
222 A 222 ASP D H H > 3 TS+ 0 0 -60.5 -41.2 178.5 45.8 110.2 30.9 0 0.0 226 -1.6 0 0.0 0 0.0 6 37
223 A 223 SER S H H > < TS+ 0 0 -66.0 -48.8 179.5 53.8 110.8 14.4 220 -0.5 227 -2.5 0 0.0 0 0.0 8 32
224 A 224 THR T H H X TS+ 0 0 -52.6 -31.7 179.1 63.0 102.4 34.1 220 -2.7 228 -1.6 0 0.0 0 0.0 10 46
225 A 225 SER S H H < > TS+ 0 0 -58.9 -60.6 -179.8 35.2 109.3 10.8 221 -1.7 228 -0.7 0 0.0 0 0.0 10 39
226 A 226 MET M H H X > TS+ 0 0 -67.8 -26.5 179.0 62.8 111.9 36.9 222 -1.6 230 -3.0 0 0.0 229 -1.1 8 29
227 A 227 GLN Q H H X 3 TS+ 0 0 -66.7 -32.8 179.4 62.5 92.9 33.7 223 -2.5 231 -2.7 0 0.0 0 0.0 9 38
228 A 228 LEU L H H < < TS+ 0 0 -65.2 -17.6 178.6 34.3 115.6 46.9 224 -1.6 0 0.0 225 -0.7 0 0.0 11 53
229 A 229 ILE I H H 4 < TS+ 0 0 -98.8 -53.2 -178.4 40.6 123.7 33.6 226 -1.1 0 0.0 0 0.0 0 0.0 10 41
230 A 230 ALA A H H < TS- 0 0 -70.6 -29.9 -178.8 -3.0 139.3 41.1 226 -3.0 0 0.0 0 0.0 0 0.0 7 30
231 A 231 ASN N h < > T + 0 0 -163.5 59.8 -179.6 157.7 65.5 98.8 227 -2.7 234 -1.9 0 0.0 0 0.0 9 36
232 A 232 PRO P G G > T + 0 0 -60.3 -23.9 -179.4 74.9 69.9 40.8 0 0.0 235 -1.5 0 0.0 0 0.0 12 50
233 A 233 GLY G G G 3 TS+ 0 0 -65.6 -14.3 179.9 71.4 80.1 51.1 0 0.0 0 0.0 0 0.0 0 0.0 12 41
234 A 234 GLN Q G G < TS+ 0 0 -72.8 -24.0 -177.7 85.1 85.8 44.3 231 -1.9 0 0.0 0 0.0 0 0.0 5 44
235 A 235 PHE F g < T + 0 0 -82.8 158.8 177.3 161.6 37.2 112.4 232 -1.5 0 0.0 0 0.0 0 0.0 11 58
236 A 236 ASP D S e S+ 0 0 -132.2 -74.6 179.1 7.5 76.8 69.3 0 0.0 131 -1.9 0 0.0 0 0.0 15 51
237 A 237 VAL V E E Afi - 131 185 -121.6 121.3 179.5 -171.3 65.6 164.6 184 -2.2 186 -3.1 0 0.0 0 0.0 14 59
238 A 238 ILE I E E Afi - 132 186 -109.6 141.7 178.6 -172.3 5.5 152.8 131 -3.0 133 -3.1 0 0.0 0 0.0 14 75
239 A 239 VAL V E E Afi + 133 187 -137.2 139.1 -178.4 140.4 15.9 178.4 186 -2.4 188 -2.6 0 0.0 0 0.0 16 76
240 A 240 THR T E E Af - 134 0 -166.9 167.7 -179.6 -75.1 45.9 171.5 133 -1.8 135 -1.8 0 0.0 0 0.0 12 75
241 A 241 GLU E h > T - 0 0 -69.9 162.5 -179.1 -89.7 55.9 102.4 0 0.0 245 -3.0 0 0.0 0 0.0 12 67
242 A 242 ASN N H H > TS+ 0 0 -33.3 -79.7 -179.1 42.0 118.4 33.1 0 0.0 246 -2.6 0 0.0 0 0.0 14 51
243 A 243 MET M H H > TS+ 0 0 -42.4 -53.1 -179.5 44.5 120.1 28.6 0 0.0 247 -1.7 0 0.0 0 0.0 9 46
244 A 244 PHE F H H > TS+ 0 0 -61.0 -50.2 -179.6 47.7 114.7 18.5 0 0.0 248 -2.7 0 0.0 0 0.0 10 54
245 A 245 GLY G H H X TS+ 0 0 -63.3 -30.3 179.9 59.5 105.5 37.4 241 -3.0 249 -2.1 0 0.0 0 0.0 14 57
246 A 246 ASP D H H X TS+ 0 0 -63.5 -46.7 -179.8 38.8 113.1 15.3 242 -2.6 250 -1.7 0 0.0 0 0.0 9 44
247 A 247 ILE I H H X TS+ 0 0 -66.4 -60.6 -179.5 47.9 116.2 9.2 243 -1.7 251 -2.6 0 0.0 0 0.0 8 42
248 A 248 LEU L H H X TS+ 0 0 -49.8 -41.6 179.9 56.3 108.9 30.1 244 -2.7 252 -2.9 0 0.0 0 0.0 10 52
249 A 249 SER S H H X TS+ 0 0 -56.9 -50.9 -179.5 44.6 109.9 15.0 245 -2.1 253 -1.1 0 0.0 0 0.0 10 58
250 A 250 ASP D H H X > TS+ 0 0 -61.6 -40.4 179.7 52.8 112.2 26.5 246 -1.7 254 -0.7 0 0.0 253 -0.5 8 44
251 A 251 GLU E H H X > TS+ 0 0 -59.6 -54.1 -179.6 48.3 108.7 14.0 247 -2.6 254 -1.0 0 0.0 255 -0.8 10 45
252 A 252 ALA A H H X 3 TS+ 0 0 -61.3 -17.2 -178.9 79.1 95.3 46.9 248 -2.9 256 -0.5 0 0.0 0 0.0 10 61
253 A 253 SER S H H < <>TS+ 0 0 -60.0 -43.0 -178.0 37.1 98.2 27.8 249 -1.1 258 -0.6 250 -0.5 0 0.0 12 52
254 A 254 VAL V H H < X5TS+ 0 0 -82.2 -29.5 -176.4 87.2 92.0 35.0 251 -1.0 257 -2.2 250 -0.7 0 0.0 11 51
255 A 255 ILE I H H < 35TS+ 0 0 -44.4 -35.1 -179.2 36.6 97.6 44.7 251 -0.8 120 -0.7 0 0.0 0 0.0 12 55
256 A 256 THR T T h < 35TS- 0 0 -98.8 -5.8 -179.4 -123.0 104.1 59.7 252 -0.5 0 0.0 0 0.0 0 0.0 20 54
257 A 257 GLY G T T <5TS+ 0 0 70.0 28.4 179.6 108.7 83.6 38.0 254 -2.2 0 0.0 0 0.0 0 0.0 11 50
258 A 258 SER S t > > T - 0 0 46.6 67.3 -179.8 -178.7 11.4 20.4 0 0.0 286 -0.9 0 0.0 285 -0.9 9 45
283 A 283 PRO P G G 4 > TS+ 0 0 -60.1 -49.1 -180.0 58.7 76.3 21.7 0 0.0 286 -1.3 0 0.0 0 0.0 9 35
284 A 284 ASP D G G 4 3 TS+ 0 0 -54.0 -23.1 -179.6 46.6 109.7 43.9 0 0.0 0 0.0 0 0.0 0 0.0 4 25
285 A 285 ILE I G G 4 X>TS+ 0 0 -92.0 -21.8 -178.4 118.6 87.8 48.3 282 -0.9 288 -1.5 0 0.0 290 -0.6 11 32
286 A 286 ALA A T g < <5TS+ 0 0 -51.1 138.2 179.7 8.1 80.6 96.2 283 -1.3 0 0.0 282 -0.9 0 0.0 12 37
287 A 287 GLY G T T 35TS+ 0 0 79.1 -24.7 -178.7 100.2 99.8 87.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
288 A 288 GLN Q T T <5TS- 0 0 -78.1 11.5 179.2 -121.7 90.6 73.8 285 -1.5 0 0.0 0 0.0 0 0.0 6 27
289 A 289 GLY G T T 5TS+ 0 0 55.7 28.0 -179.1 108.7 84.3 44.9 0 0.0 344 -2.0 0 0.0 0 0.0 10 35
290 A 290 LYS K t T + 0 0 -78.7 -16.5 -178.5 86.1 66.0 50.4 0 0.0 297 -2.9 0 0.0 0 0.0 14 75
294 A 294 LEU L H H > TS+ 0 0 -53.6 -45.7 179.5 55.6 84.5 25.7 0 0.0 298 -2.8 0 0.0 0 0.0 10 83
295 A 295 GLY G H H > TS+ 0 0 -54.7 -47.1 -179.6 39.3 114.0 22.3 0 0.0 299 -1.9 0 0.0 0 0.0 15 71
296 A 296 THR T H H > TS+ 0 0 -71.6 -37.9 -179.8 56.4 112.9 24.7 0 0.0 300 -2.2 0 0.0 0 0.0 16 70
297 A 297 VAL V H H X TS+ 0 0 -61.2 -38.1 179.4 47.8 108.2 29.2 293 -2.9 301 -1.4 0 0.0 0 0.0 13 75
298 A 298 LEU L H H X TS+ 0 0 -68.7 -41.4 179.0 56.6 106.9 21.4 294 -2.8 302 -2.4 0 0.0 0 0.0 15 73
299 A 299 SER S H H X TS+ 0 0 -55.4 -39.1 178.6 54.6 104.2 27.0 295 -1.9 303 -2.2 0 0.0 0 0.0 15 73
300 A 300 ALA A H H X TS+ 0 0 -60.7 -42.7 179.7 49.4 107.2 25.9 296 -2.2 304 -2.2 0 0.0 0 0.0 13 77
301 A 301 ALA A H H X TS+ 0 0 -65.0 -40.2 178.3 52.4 108.5 27.7 297 -1.4 305 -2.2 0 0.0 0 0.0 13 64
302 A 302 LEU L H H X TS+ 0 0 -61.1 -40.1 179.7 54.8 107.3 25.4 298 -2.4 306 -3.4 0 0.0 0 0.0 12 66
303 A 303 MET M H H X >TS+ 0 0 -58.2 -50.3 179.4 46.9 107.8 19.0 299 -2.2 307 -2.6 0 0.0 308 -1.2 15 65
304 A 304 LEU L H H < 5TS+ 0 0 -60.9 -35.7 -179.7 44.4 118.0 29.2 300 -2.2 310 -2.1 0 0.0 0 0.0 13 62
305 A 305 ARG R H H < 5TS+ 0 0 -73.1 -55.7 -177.2 30.1 123.4 15.2 301 -2.2 0 0.0 0 0.0 0 0.0 12 51
306 A 306 TYR Y H H < 5TS+ 0 0 -81.1 -26.6 179.1 31.7 130.3 42.5 302 -3.4 0 0.0 0 0.0 0 0.0 9 54
307 A 307 SER S T h < 5TS+ 0 0 -98.2 -44.3 -178.2 20.5 134.6 31.6 303 -2.6 0 0.0 0 0.0 0 0.0 12 49
308 A 308 PHE F S t T + 0 0 -76.2 74.8 -178.7 164.5 12.6 118.8 304 -2.1 314 -2.0 0 0.0 0 0.0 8 39
311 A 311 GLU E H H > T + 0 0 -61.8 -46.3 -179.2 52.4 68.7 24.5 309 -2.4 315 -3.1 0 0.0 0 0.0 8 33
312 A 312 LYS K H H > TS+ 0 0 -59.6 -37.4 179.8 49.0 111.4 24.9 0 0.0 316 -2.3 0 0.0 0 0.0 6 34
313 A 313 GLU E H H > TS+ 0 0 -68.3 -43.0 179.1 46.4 112.1 27.9 0 0.0 317 -1.6 0 0.0 0 0.0 12 47
314 A 314 ALA A H H X TS+ 0 0 -64.9 -43.5 180.0 55.2 110.6 19.6 310 -2.0 318 -2.4 0 0.0 0 0.0 13 49
315 A 315 ALA A H H X TS+ 0 0 -54.0 -48.7 179.8 52.7 104.9 23.1 311 -3.1 319 -2.5 0 0.0 0 0.0 9 39
316 A 316 ALA A H H X TS+ 0 0 -56.4 -43.5 -179.8 49.6 108.9 26.9 312 -2.3 320 -2.7 0 0.0 0 0.0 10 42
317 A 317 ILE I H H X TS+ 0 0 -62.5 -50.0 -179.0 47.5 111.4 16.3 313 -1.6 321 -2.4 0 0.0 0 0.0 14 54
318 A 318 GLU E H H X TS+ 0 0 -60.9 -35.1 178.6 51.0 112.2 30.7 314 -2.4 322 -2.1 0 0.0 0 0.0 10 54
319 A 319 LYS K H H X TS+ 0 0 -64.9 -53.4 179.9 51.3 108.5 11.8 315 -2.5 323 -2.8 0 0.0 0 0.0 8 41
320 A 320 ALA A H H X TS+ 0 0 -49.2 -45.1 179.9 51.7 109.2 28.6 316 -2.7 324 -2.3 0 0.0 0 0.0 12 48
321 A 321 VAL V H H X TS+ 0 0 -59.3 -50.2 -179.7 47.9 110.1 19.0 317 -2.4 325 -2.5 0 0.0 0 0.0 11 61
322 A 322 ASP D H H X TS+ 0 0 -55.6 -54.7 -179.3 51.3 111.0 14.9 318 -2.1 326 -3.0 0 0.0 0 0.0 9 50
323 A 323 ASP D H H X TS+ 0 0 -52.7 -41.6 179.8 49.8 108.9 31.8 319 -2.8 327 -2.1 0 0.0 0 0.0 9 38
324 A 324 VAL V H H < >TS+ 0 0 -63.9 -47.9 179.3 44.1 114.7 13.2 320 -2.3 329 -1.5 0 0.0 0 0.0 14 51
325 A 325 LEU L H H < >5TS+ 0 0 -62.0 -31.9 -179.8 60.9 108.6 31.2 321 -2.5 328 -1.7 0 0.0 0 0.0 12 58
326 A 326 GLN Q H H < 35TS+ 0 0 -61.6 -41.9 -179.9 52.7 100.4 26.6 322 -3.0 0 0.0 0 0.0 0 0.0 9 37
327 A 327 ASP D T h < 35TS- 0 0 -79.4 11.1 178.2 -108.0 123.8 72.5 323 -2.1 0 0.0 0 0.0 0 0.0 7 35
328 A 328 GLY G T e <5T + 0 0 68.3 36.6 179.9 147.5 68.7 34.9 325 -1.7 340 -1.9 0 0.0 0 0.0 12 38
329 A 329 TYR Y E E Ck T - 0 0 -69.7 161.4 -179.7 -100.8 37.7 108.6 334 -0.6 339 -0.9 0 0.0 0 0.0 12 39
337 A 337 ALA A T T 3 TS+ 0 0 -46.5 -92.2 178.6 12.4 114.4 19.5 0 0.0 339 -1.7 0 0.0 0 0.0 8 32
338 A 338 ASN N T T 3 TS- 0 0 -92.5 77.1 -177.1 -148.2 103.6 129.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
339 A 339 GLY G t < T + 0 0 -55.1 136.6 178.3 178.2 27.4 99.1 337 -1.7 0 0.0 336 -0.9 0 0.0 9 29
340 A 340 LYS K E E Ck - 329 0 -140.2 116.0 180.0 -147.9 18.1 170.0 328 -1.9 330 -1.7 0 0.0 0 0.0 10 28
341 A 341 VAL V E E Ck + 330 0 -89.8 129.8 177.2 160.1 27.2 141.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
342 A 342 VAL V e - 0 0 -136.6 175.6 -178.8 -79.4 40.5 148.7 330 -2.1 0 0.0 0 0.0 0 0.0 11 32
343 A 343 SER S h > T - 0 0 -80.2 164.1 -179.8 -108.1 38.0 107.0 0 0.0 347 -2.8 0 0.0 0 0.0 10 36
344 A 344 THR T H H > TS+ 0 0 -55.5 -45.3 179.3 46.4 121.9 26.5 289 -2.0 348 -1.8 0 0.0 0 0.0 14 49
345 A 345 ILE I H H > TS+ 0 0 -63.4 -46.4 179.9 54.1 111.8 16.3 0 0.0 349 -3.0 0 0.0 0 0.0 8 40
346 A 346 GLU E H H > TS+ 0 0 -52.7 -60.2 178.0 45.2 108.8 20.5 0 0.0 350 -2.6 0 0.0 0 0.0 8 38
347 A 347 LEU L H H X TS+ 0 0 -50.6 -43.7 -179.3 52.7 112.6 29.1 343 -2.8 351 -3.4 0 0.0 0 0.0 13 53
348 A 348 THR T H H X TS+ 0 0 -59.5 -44.3 179.5 51.8 107.4 17.2 344 -1.8 352 -2.6 0 0.0 0 0.0 11 55
349 A 349 ASP D H H X TS+ 0 0 -58.6 -45.3 179.3 46.2 111.8 24.2 345 -3.0 353 -3.1 0 0.0 0 0.0 8 42
350 A 350 ARG R H H X TS+ 0 0 -63.1 -45.5 178.9 56.4 108.3 18.1 346 -2.6 354 -2.8 0 0.0 0 0.0 9 42
351 A 351 LEU L H H X TS+ 0 0 -49.9 -49.4 -179.7 40.7 113.3 23.7 347 -3.4 355 -1.9 0 0.0 0 0.0 12 53
352 A 352 ILE I H H < TS+ 0 0 -65.7 -44.9 -179.8 55.7 111.9 19.9 348 -2.6 0 0.0 0 0.0 0 0.0 11 46
353 A 353 GLU E H H < > TS+ 0 0 -56.9 -33.6 179.2 41.7 113.3 34.9 349 -3.1 356 -0.6 0 0.0 0 0.0 7 31
354 A 354 LYS K H H < 3 TS+ 0 0 -81.5 -30.8 -178.2 75.7 99.5 38.0 350 -2.8 0 0.0 0 0.0 0 0.0 9 34
355 A 355 LEU L T h < 3 T 0 0 -64.5 7.6 179.7 999.9 999.9 68.1 351 -1.9 0 0.0 0 0.0 0 0.0 10 42
356 A 356 ASN N t < T 0 0 -160.2 999.9 999.9 999.9 999.9 170.1 353 -0.6 0 0.0 0 0.0 0 0.0 4 31
2ayqA.pdb
2AYQ OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEESTTHHHHHHHHHHHHHHHHTTTT EEEEEE HHHHHHTTSSSS HHHHHHHHTSSEEEEEE HHHHTS GGG THHHHHHHHHHHT Kabs/Sand
chirality -----++--+-+++++++++++++++++++-+------+-++-++++++-+-+--+++++++++--------++-+++++--+++-+++++++++++-+ chirality
bends SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSS SSSSSS SSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555 5-turns
3-turns >3><3< >>3<< >>3<<>33< >33< >>3<< >>3<<>>3><<< >33< 3-turns
bridge-2 bbbb*b cc bridge-2
bridge-1 aaaaaa aaaaaa bbbb*b bridge-1
sheets AAAAAAAAA AAAAAA AAAAAA sheets
4-turns >>>>XXXXXXXXXX<<<< >>>>>>>XX<<<< >>44<< >>>>XXXXX<<<< 4-turns
summary eEEEEEEEEEeThHHHHHHHHHHHHHHHHhTTTtEEEEEEe hHHHHHHhTtSSShHHHHHHHHhtSEEEEEE hHHHHhggGGGghHHHHHHHHHHHh summary
sequence MKMKLAVLPGDGIGPEVMDAAIRVLKTVLDNDGHEAVFENALIGGAAIDEAGTPLPEETLDICRRSDAILLGAVGGPKWDHNPASLRPEKGLLGLRKEMG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEE GGGTTTSSS HHHHTT EEEEEEE SSBTTS S SEESSTT EE B HHHHHHHHHHHHHHHHTTTSEEEEEE TTT HHHHHH Kabs/Sand
chirality ++--+--+---++++++-+--++++++++------+++-+++-+++---+--++-----++--+++++++++++++++++--+----+-++++-++++++ chirality
bends SSSSSSSSS SSSSSS SSSSSS S S SSSS SSSSSSSSSSSSSSSSSSSS SS SSSSSS bends
turns T TTTTTTTT TTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns < >5555< 5-turns
3-turns >>3X<3< >33<>33< >33< >33< >>3<< >33< 3-turns
bridge-2 EEEEEEE ffff iii bridge-2
bridge-1 DDD EEEEEEE A GG GG A hhhhhh bridge-1
sheets AAAAAAA AAAAAAA BB BB AAAAAA sheets
4-turns >44><44< >>44<< >>>>XXXXXXXXXX<<<< >444X>>>XXX 4-turns
summary teEEEEEEEegGGGgTTtSShHHHHhTeEEEEEEEeSSBTTt S eEEStTTtEEe B hHHHHHHHHHHHHHHHHhTTeEEEEEEtTTThHHHHHH summary
sequence LFANLRPVKAYATLLNASPLKRERVENVDLVIVRELTGGLYFGRPSERRGPGENEVVDTLAYTREEIERIIEKAFQLAQIRRKKLASVDKANVLESSRMW sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHH TTSEEEEEEHHHHHHHHHH GGG SEEEE HHHHHHHHHHHHHHTT TTS EEEEE SSS EEEEESS GGGTTTT HHHHHHH Kabs/Sand
chirality +++++++++++++--+-+--+++++++++-++++++--+--++++++++++++++-+++++----+--+-++--+--+----+++++-++--++++++++ chirality
bends SSSSSSSSSS SSS SSSSSSSSSS SS S SSSSSSSSSSSSSSSS SS SSS SS SSSSSSS SSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>><33< >>3<< >>3<< >>333< >>3X<3< 3-turns
bridge-2 iii JJJJJ JJJJJ bridge-2
bridge-1 hhhhhh ffff DDD cc bridge-1
sheets AAAAAA AAAA AAAAA AAAAA sheets
4-turns XXXXXXX<<<< >>>>X>>>XXXXXXXX<<<< >444< >>>>XXXX 4-turns
summary HHHHHHHHHHhTTtEEEEEEHHHHHHHHHHhGGGgeEEEEhHHHHHHHHHHHHHHhTtTTteEEEEEeSSSeEEEEEeS gGGGgTTTt hHHHHHHH summary
sequence REIAEETAKKYPDVELSHMLVDSTSMQLIANPGQFDVIVTENMFGDILSDEASVITGSLGMLPSASLRSDRFGMYEPVHGSAPDIAGQGKANPLGTVLSA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHTS HHHHHHHHHHHHHHHHTTEESSSS TT EE HHHHHHHHHHHT Kabs/Sand
chirality +++++++-++++++++++++++++++-++--++---+-+-+--+++++++++++ chirality
bends SSSSSSSS SSSSSSSSSSSSSSSS SSSS SS SSSSSSSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 kk kk bridge-1
sheets CC CC sheets
4-turns XXX<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary HHHHHHht hHHHHHHHHHHHHHHHHheEESSSS tTTtEEehHHHHHHHHHHHht summary
sequence ALMLRYSFGLEKEAAAIEKAVDDVLQDGYCTGDLQVANGKVVSTIELTDRLIEKLN sequence
310 320 330 340 350