Secondary structure calculation program - copyright by David Keith Smith, 1989
1fecA.pdb
1FEC OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 485
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 SER S 0 0 999.9 168.3 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 14
2 A 2 ARG R - 0 0 -96.9 151.7 178.6 -125.9 999.9 133.4 0 0.0 0 0.0 0 0.0 0 0.0 7 24
3 A 3 ALA A S S S+ 0 0 -57.7 -38.5 -179.2 33.0 98.7 34.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
4 A 4 TYR Y E E Aa - 152 0 -123.8 142.8 174.1 -153.7 60.3 165.1 151 -1.6 153 -2.4 0 0.0 0 0.0 13 43
5 A 5 ASP D E E A* S+ 0 0 -76.6 -37.9 -178.6 14.7 89.9 27.3 29 -1.5 154 -2.3 0 0.0 0 0.0 11 46
6 A 6 LEU L E E Aab - 154 30 -145.2 138.9 174.3 -168.7 54.8 172.4 29 -2.5 31 -2.8 0 0.0 0 0.0 14 67
7 A 7 VAL V E E Aab - 155 31 -123.4 122.2 178.2 -162.9 14.5 169.7 154 -2.0 156 -2.4 0 0.0 9 -0.6 15 70
8 A 8 VAL V E E Aab - 156 32 -105.5 118.9 176.6 -154.2 7.3 154.2 31 -2.9 33 -2.9 0 0.0 10 -0.8 15 81
9 A 9 ILE I E E Aab S+ 157 33 -93.7 113.9 -178.6 30.8 78.1 149.4 156 -2.6 158 -2.6 7 -0.6 0 0.0 15 84
10 A 10 GLY G e - 0 0 104.4 105.4 -179.0 -148.7 68.6 56.6 33 -2.4 12 -0.6 8 -0.8 0 0.0 15 74
11 A 11 ALA A + 0 0 -100.0 56.9 -178.1 112.9 58.6 110.8 0 0.0 48 -2.6 0 0.0 0 0.0 18 74
12 A 12 GLY G S h > >TS- 0 0 -105.5 -148.9 -177.7 -43.1 83.2 89.7 10 -0.6 16 -2.9 0 0.0 17 -0.6 16 75
13 A 13 SER S H H > 5TS+ 0 0 -48.1 -62.4 179.6 22.2 138.7 25.3 0 0.0 17 -0.9 0 0.0 0 0.0 15 58
14 A 14 GLY G H H > 5TS+ 0 0 -73.3 -45.9 -178.1 51.6 125.5 24.1 0 0.0 18 -2.9 0 0.0 0 0.0 17 61
15 A 15 GLY G H H > 5TS+ 0 0 -60.6 -45.9 179.7 44.7 111.6 27.3 0 0.0 19 -2.8 0 0.0 0 0.0 19 71
16 A 16 LEU L H H X 5TS+ 0 0 -69.8 -30.5 178.1 52.1 113.7 33.6 12 -2.9 20 -2.2 0 0.0 0 0.0 12 75
17 A 17 GLU E H H X A > TS+ 44 0 109.5 -178.3 165.4 34.6 79.3 114.6 44 -2.1 44 -3.5 0 0.0 43 -0.6 12 44
41 A 41 PRO P T T 4 3 TS+ 0 0 -44.8 135.8 10.9 31.5 102.1 107.3 0 0.0 0 0.0 0 0.0 0 0.0 5 30
42 A 42 PRO P T T 4 3 TS+ 0 0 -92.6 -25.1 -175.8 5.1 141.1 163.8 0 0.0 0 0.0 0 0.0 0 0.0 4 32
43 A 43 HIS H T T 4 < TS- 0 0 -95.1 -12.2 177.3 -157.5 77.3 47.7 40 -0.6 45 -1.8 0 0.0 0 0.0 9 45
44 A 44 TYR Y B B < A TS+ 40 0 74.8 -76.5 176.5 64.4 72.9 123.5 40 -3.5 40 -2.1 0 0.0 0 0.0 11 50
45 A 45 ALA A S S S+ 0 0 -71.0 158.9 -175.3 168.3 71.8 114.7 43 -1.8 0 0.0 0 0.0 0 0.0 14 59
46 A 46 ALA A t > T - 0 0 -156.3 -176.4 174.8 -32.3 48.5 143.3 0 0.0 49 -3.1 0 0.0 0 0.0 17 59
47 A 47 LEU L T T 3 TS+ 0 0 -50.5 122.5 -179.0 45.3 129.4 111.7 36 -2.4 0 0.0 0 0.0 0 0.0 13 61
48 A 48 GLY G T T 3 TS- 0 0 125.6 -30.4 179.5 -111.9 114.0 95.4 11 -2.6 0 0.0 0 0.0 0 0.0 14 63
49 A 49 GLY G h > < T - 0 0 99.5 -179.0 -178.2 -56.7 39.8 112.4 46 -3.1 53 -1.9 0 0.0 0 0.0 12 68
50 A 50 THR T H H > TS+ 0 0 -69.2 -36.3 -178.1 58.4 128.0 29.3 0 0.0 54 -1.9 0 0.0 0 0.0 14 66
51 A 51 A CYS C H H > TS+ 0 0 -62.1 -47.1 179.1 37.8 112.3 21.1 0 0.0 57 -2.1 0 0.0 55 -0.7 12 58
52 A 52 VAL V H H 4 TS+ 0 0 -71.0 -40.9 -174.4 30.6 129.4 27.6 0 0.0 0 0.0 0 0.0 0 0.0 13 54
53 A 53 ASN N H H < TS- 0 0 -89.7 -49.9 -177.6 -2.3 139.5 20.4 49 -1.9 0 0.0 0 0.0 0 0.0 15 58
54 A 54 VAL V H H < TS+ 0 0 -139.8 44.3 -178.0 48.7 121.9 107.0 50 -1.9 0 0.0 0 0.0 0 0.0 16 61
55 A 55 GLY G S h X TS- 0 0 -148.1 -133.1 179.6 -2.6 105.1 112.3 51 -0.7 59 -2.7 0 0.0 0 0.0 9 62
56 A 56 CYS C H H > TS+ 0 0 -37.8 -56.6 -176.6 51.0 123.7 35.1 0 0.0 60 -2.8 0 0.0 0 0.0 9 54
57 A 57 VAL V H H > TS+ 0 0 -57.2 -62.5 175.0 31.2 118.6 19.5 51 -2.1 61 -1.6 0 0.0 0 0.0 11 49
58 A 58 PRO P H H > TS+ 0 0 -64.5 -35.1 178.5 57.7 118.7 27.2 0 0.0 62 -2.1 0 0.0 0 0.0 13 53
59 A 59 LYS K H H X TS+ 0 0 -56.5 -52.1 178.8 47.2 107.0 19.5 55 -2.7 63 -2.8 0 0.0 0 0.0 9 61
60 A 60 LYS K H H X TS+ 0 0 -57.9 -43.1 178.8 51.3 111.0 26.2 56 -2.8 64 -2.6 0 0.0 0 0.0 9 52
61 A 61 LEU L H H X TS+ 0 0 -64.1 -34.7 179.8 47.7 111.9 26.6 57 -1.6 65 -2.0 0 0.0 0 0.0 9 46
62 A 62 MET M H H X TS+ 0 0 -74.3 -37.7 176.8 50.9 110.7 26.0 58 -2.1 66 -2.5 0 0.0 0 0.0 11 60
63 A 63 VAL V H H X TS+ 0 0 -63.3 -43.7 176.9 51.9 108.6 23.6 59 -2.8 67 -2.3 0 0.0 0 0.0 14 53
64 A 64 THR T H H X TS+ 0 0 -57.2 -47.1 177.7 48.4 111.0 20.3 60 -2.6 68 -0.8 0 0.0 0 0.0 8 44
65 A 65 GLY G H H < > TS+ 0 0 -58.3 -46.3 179.2 51.9 109.6 23.9 61 -2.0 68 -0.9 0 0.0 0 0.0 10 46
66 A 66 ALA A H H < > TS+ 0 0 -58.6 -38.8 -179.1 65.6 99.2 31.6 62 -2.5 69 -1.9 0 0.0 0 0.0 13 53
67 A 67 ASN N H H X > TS+ 0 0 -57.4 -28.4 177.9 72.8 85.2 37.1 63 -2.3 71 -2.2 0 0.0 70 -0.6 10 48
68 A 68 TYR Y H H X < TS+ 0 0 -60.0 -20.9 179.1 67.9 83.8 46.9 65 -0.9 72 -2.3 64 -0.8 0 0.0 9 37
69 A 69 MET M H H > < TS+ 0 0 -62.8 -52.2 179.5 35.4 109.6 12.6 66 -1.9 73 -1.6 0 0.0 0 0.0 9 45
70 A 70 ASP D H H > < TS+ 0 0 -64.5 -51.1 -177.5 49.5 119.3 18.0 67 -0.6 74 -3.2 0 0.0 0 0.0 7 51
71 A 71 THR T H H X TS+ 0 0 -60.9 -40.6 177.1 48.5 110.5 26.4 67 -2.2 75 -1.3 0 0.0 0 0.0 8 39
72 A 72 ILE I H H < TS+ 0 0 -65.5 -38.8 -179.4 47.0 115.8 21.4 68 -2.3 0 0.0 0 0.0 0 0.0 8 33
73 A 73 ARG R H H < > TS+ 0 0 -65.9 -46.0 179.4 52.3 109.5 23.6 69 -1.6 76 -1.1 0 0.0 0 0.0 9 38
74 A 74 GLU E H H < > TS+ 0 0 -63.0 -20.3 -179.6 77.1 92.1 43.9 70 -3.2 77 -0.6 0 0.0 0 0.0 12 34
75 A 75 SER S G h < >>TS+ 0 0 -62.7 -30.5 -177.4 69.9 80.0 38.1 71 -1.3 80 -1.9 0 0.0 78 -1.2 10 26
76 A 76 ALA A G G X5TS+ 0 0 -57.6 -45.3 178.6 55.9 92.3 26.7 73 -1.1 79 -2.1 0 0.0 0 0.0 10 26
77 A 77 GLY G G G <5TS+ 0 0 -60.1 -21.9 179.0 54.7 104.8 45.1 74 -0.6 0 0.0 0 0.0 0 0.0 9 23
78 A 78 PHE F G G <5TS- 0 0 -94.9 13.4 179.5 -92.1 131.6 76.4 75 -1.2 0 0.0 0 0.0 0 0.0 8 20
79 A 79 GLY G T g <5TS+ 0 0 91.5 8.3 -179.6 146.7 75.5 49.1 76 -2.1 81 -0.9 0 0.0 0 0.0 6 19
80 A 80 TRP W t > T - 0 0 -67.0 95.3 -178.2 -170.1 45.9 118.8 0 0.0 86 -1.4 0 0.0 87 -0.6 6 14
84 A 84 ARG R G G 4 > TS+ 0 0 -62.1 -24.7 -180.0 60.9 81.2 42.1 82 -1.5 87 -0.5 0 0.0 0 0.0 5 21
85 A 85 A GLU E G G 4 3 TS+ 0 0 -72.8 -25.5 -179.3 61.4 96.9 39.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
86 A 86 SER S G G 4 < TS+ 0 0 -73.9 -15.4 -178.1 107.2 76.8 49.1 83 -1.4 0 0.0 0 0.0 0 0.0 5 14
87 A 87 VAL V g < < T + 0 0 -71.0 119.9 179.6 153.3 43.7 117.4 83 -0.6 0 0.0 84 -0.5 0 0.0 6 28
88 A 88 ARG R - 0 0 -153.2 138.9 179.7 -116.8 42.0 170.0 0 0.0 0 0.0 0 0.0 0 0.0 5 33
89 A 89 PRO P - 0 0 -71.2 147.5 179.7 -159.4 16.8 111.9 0 0.0 0 0.0 0 0.0 0 0.0 8 41
90 A 90 ASN N h > > T - 0 0 -131.9 80.5 179.5 -178.4 9.7 140.4 0 0.0 94 -1.4 0 0.0 93 -0.7 7 34
91 A 91 TRP W H H > 3 TS+ 0 0 -46.9 -45.9 179.1 58.2 78.3 33.3 0 0.0 95 -2.8 0 0.0 0 0.0 10 43
92 A 92 LYS K H H > 3 TS+ 0 0 -60.3 -35.5 180.0 49.4 106.4 29.6 0 0.0 96 -2.5 0 0.0 0 0.0 8 32
93 A 93 ALA A H H > < TS+ 0 0 -72.8 -31.2 177.7 52.1 109.7 28.5 90 -0.7 97 -2.3 0 0.0 0 0.0 7 28
94 A 94 LEU L H H X TS+ 0 0 -63.0 -52.4 -178.8 45.9 112.0 15.3 90 -1.4 98 -2.7 0 0.0 0 0.0 10 40
95 A 95 ILE I H H X TS+ 0 0 -57.6 -47.5 178.6 49.5 112.8 22.6 91 -2.8 99 -3.0 0 0.0 0 0.0 10 47
96 A 96 ALA A H H X TS+ 0 0 -59.3 -46.5 179.0 48.6 111.5 26.7 92 -2.5 100 -2.4 0 0.0 0 0.0 8 31
97 A 97 ALA A H H X TS+ 0 0 -59.7 -46.0 178.8 46.5 114.1 20.9 93 -2.3 101 -1.7 0 0.0 0 0.0 8 32
98 A 98 LYS K H H X TS+ 0 0 -62.5 -45.0 179.8 52.4 111.3 24.4 94 -2.7 102 -2.6 0 0.0 0 0.0 11 44
99 A 99 ASN N H H X TS+ 0 0 -57.4 -48.2 178.1 49.4 109.0 22.0 95 -3.0 103 -2.9 0 0.0 0 0.0 8 44
100 A 100 LYS K H H X TS+ 0 0 -58.3 -38.1 179.8 48.6 112.3 32.9 96 -2.4 104 -1.5 0 0.0 0 0.0 8 29
101 A 101 ALA A H H X TS+ 0 0 -68.2 -51.9 178.9 44.6 113.9 22.0 97 -1.7 105 -1.0 0 0.0 0 0.0 8 36
102 A 102 VAL V H H X > TS+ 0 0 -60.6 -43.3 178.5 54.0 111.4 24.4 98 -2.6 106 -2.6 0 0.0 105 -0.6 13 45
103 A 103 SER S H H X 3 TS+ 0 0 -60.2 -38.1 -179.6 57.6 102.4 27.1 99 -2.9 107 -2.8 0 0.0 0 0.0 10 39
104 A 104 GLY G H H X 3 TS+ 0 0 -62.1 -30.7 177.9 46.8 108.4 31.4 100 -1.5 108 -0.5 0 0.0 0 0.0 8 27
105 A 105 ILE I H H X X TS+ 0 0 -74.4 -44.9 179.4 54.3 108.8 24.7 101 -1.0 108 -1.2 102 -0.6 109 -1.0 9 40
106 A 106 ASN N H H < > TS+ 0 0 -52.0 -45.5 -179.5 51.8 108.2 18.9 102 -2.6 109 -1.0 0 0.0 0 0.0 13 43
107 A 107 ASP D H H X > TS+ 0 0 -64.7 -23.4 -178.6 66.0 97.2 48.1 103 -2.8 111 -0.5 0 0.0 110 -0.5 8 27
108 A 108 SER S H H X X TS+ 0 0 -71.8 -28.1 -179.1 68.6 88.0 34.7 105 -1.2 112 -1.6 104 -0.5 111 -0.6 8 28
109 A 109 TYR Y H H X < TS+ 0 0 -60.2 -28.4 -178.9 68.9 86.4 37.3 106 -1.0 113 -2.5 105 -1.0 0 0.0 9 42
110 A 110 GLU E H H > < TS+ 0 0 -56.3 -47.8 179.9 38.7 105.8 20.4 107 -0.5 114 -2.4 0 0.0 0 0.0 8 30
111 A 111 GLY G H H X < TS+ 0 0 -71.9 -35.4 -178.0 60.7 111.0 28.7 108 -0.6 115 -2.8 107 -0.5 0 0.0 8 24
112 A 112 MET M H H < TS+ 0 0 -59.4 -43.4 178.6 37.7 112.0 27.4 108 -1.6 0 0.0 0 0.0 0 0.0 8 35
113 A 113 PHE F H H < > TS+ 0 0 -75.8 -40.2 179.0 54.5 114.5 25.1 109 -2.5 116 -1.7 0 0.0 0 0.0 11 41
114 A 114 ALA A H H < 3 TS+ 0 0 -61.5 -36.0 -178.2 46.5 111.2 29.4 110 -2.4 0 0.0 0 0.0 0 0.0 7 23
115 A 115 ASP D T h < 3 TS+ 0 0 -89.7 7.1 -179.7 78.5 99.3 67.5 111 -2.8 117 -0.5 0 0.0 0 0.0 6 23
116 A 116 THR T S t X TS- 0 0 -122.9 92.3 -178.8 -149.3 72.0 140.7 113 -1.7 119 -2.4 0 0.0 0 0.0 10 30
117 A 117 GLU E T T 3 TS+ 0 0 -58.8 132.3 -178.3 18.0 85.3 105.6 115 -0.5 0 0.0 0 0.0 0 0.0 9 29
118 A 118 GLY G T e 3 TS+ 0 0 86.3 -6.1 179.7 110.1 99.3 72.3 0 0.0 30 -2.7 0 0.0 120 -0.6 10 36
119 A 119 LEU L E E Ac < T + 30 0 -104.3 122.1 179.5 176.5 45.4 155.2 116 -2.4 0 0.0 0 0.0 0 0.0 14 45
120 A 120 THR T E E Ac - 31 0 -132.7 145.0 179.1 -139.0 24.9 168.4 30 -2.3 32 -2.8 118 -0.6 0 0.0 8 51
121 A 121 PHE F E E Ac - 32 0 -100.7 131.7 179.4 -168.2 16.1 147.4 0 0.0 0 0.0 0 0.0 0 0.0 9 57
122 A 122 HIS H E E Ac - 33 0 -122.4 124.8 -176.4 -141.1 14.1 172.1 32 -2.5 34 -1.8 0 0.0 124 -0.7 9 50
123 A 123 GLN Q E E Ac + 34 0 -98.8 115.3 177.2 49.8 54.3 143.5 0 0.0 0 0.0 0 0.0 0 0.0 9 50
124 A 124 GLY G S e S- 0 0 157.2 -176.1 177.9 -42.1 88.5 159.1 34 -2.6 126 -0.5 122 -0.7 0 0.0 13 48
125 A 125 PHE F E E AD - 137 0 -82.1 117.4 179.7 -146.5 53.5 138.7 137 -2.2 137 -3.2 0 0.0 0 0.0 13 56
126 A 126 GLY G E E AD + 136 0 -87.2 145.6 177.0 165.4 24.6 126.2 124 -0.5 0 0.0 0 0.0 0 0.0 12 64
127 A 127 ALA A E E AD - 135 0 -154.3 156.2 -179.1 -103.0 35.7 167.3 135 -1.7 135 -3.0 0 0.0 0 0.0 13 60
128 A 128 LEU L E E AD + 134 0 -90.6 130.5 174.9 173.2 26.2 136.4 293 -2.9 0 0.0 0 0.0 0 0.0 13 56
129 A 129 GLN Q E E A* S- 0 0 -93.7 -40.9 174.5 -41.7 80.0 42.7 133 -2.8 0 0.0 0 0.0 0 0.0 11 37
130 A 130 ASP D E E AD > TS- 133 0 -168.7 -174.9 -178.4 -64.9 81.1 156.2 133 -1.3 133 -1.4 0 0.0 0 0.0 8 38
131 A 131 ASN N T T 3 TS+ 0 0 -64.7 -8.0 178.1 38.0 133.8 53.9 0 0.0 0 0.0 0 0.0 0 0.0 11 44
132 A 132 HIS H T e 3 TS+ 0 0 -122.9 10.9 -177.2 65.8 109.0 66.5 0 0.0 152 -2.8 0 0.0 0 0.0 10 44
133 A 133 THR T E E ADE< T - 130 151 -142.1 127.4 179.3 -173.3 51.0 166.9 130 -1.4 129 -2.8 0 0.0 130 -1.3 11 48
134 A 134 VAL V E E ADE - 128 150 -119.2 125.4 176.4 -149.9 14.7 163.4 150 -2.8 150 -2.7 0 0.0 0 0.0 14 61
135 A 135 LEU L E E ADE - 127 149 -91.0 145.4 173.5 -151.4 3.0 131.6 127 -3.0 127 -1.7 0 0.0 137 -0.6 14 53
136 A 136 VAL V E E ADE - 126 148 -114.7 102.6 -179.6 -174.2 28.6 162.1 148 -2.8 147 -2.8 0 0.0 148 -1.6 16 48
137 A 137 ARG R E E ADE - 125 146 -97.5 169.9 -178.2 -111.1 36.7 120.9 125 -3.2 125 -2.2 135 -0.6 0 0.0 15 35
138 A 138 GLU E S e S- 0 0 -65.7 -36.2 -178.8 -8.9 92.6 35.0 145 -2.2 0 0.0 0 0.0 0 0.0 11 29
139 A 139 SER S S S S- 0 0 -150.5 -176.9 178.2 -83.9 82.6 146.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
140 A 140 ALA A S S S+ 0 0 -68.7 -18.5 -179.7 107.0 95.9 49.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
141 A 141 ASP D S t > TS- 0 0 -65.2 121.8 176.7 -143.8 71.1 123.4 0 0.0 144 -2.0 0 0.0 0 0.0 7 23
142 A 142 PRO P T T 3 TS+ 0 0 -60.2 -14.5 -178.5 57.4 100.3 51.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
143 A 143 ASN N T T 3 TS+ 0 0 -103.4 9.8 -179.4 110.2 83.9 74.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
144 A 144 SER S S t < TS- 0 0 -83.5 167.2 -179.5 -68.3 82.4 113.1 141 -2.0 0 0.0 0 0.0 0 0.0 9 21
145 A 145 ALA A e - 0 0 -57.2 129.3 175.9 -126.8 45.6 102.0 0 0.0 138 -2.2 0 0.0 147 -0.7 7 20
146 A 146 VAL V E E AE - 137 0 -79.8 113.9 -178.7 -178.8 27.4 138.3 0 0.0 0 0.0 0 0.0 0 0.0 9 29
147 A 147 LEU L E E A* + 0 0 -81.1 -42.4 -178.8 0.6 64.8 26.6 136 -2.8 0 0.0 145 -0.7 0 0.0 9 32
148 A 148 GLU E E E AE - 136 0 -150.1 153.3 177.9 -147.5 53.1 166.4 136 -1.6 136 -2.8 0 0.0 0 0.0 7 38
149 A 149 THR T E E AE - 135 0 -124.1 119.4 -177.5 -160.3 21.2 178.8 0 0.0 151 -0.5 0 0.0 0 0.0 9 40
150 A 150 LEU L E E AE - 134 0 -111.4 115.9 179.8 -161.4 4.5 161.8 134 -2.7 134 -2.8 0 0.0 152 -0.5 11 44
151 A 151 ASP D E E AE + 133 0 -94.7 127.1 -173.5 165.3 28.7 149.7 149 -0.5 4 -1.6 0 0.0 0 0.0 10 39
152 A 152 THR T E E Aa - 4 0 -150.2 160.5 -179.8 -136.1 49.8 163.5 132 -2.8 0 0.0 150 -0.5 0 0.0 14 46
153 A 153 GLU E E E A* S+ 0 0 -76.0 -56.1 179.6 20.5 94.4 13.2 4 -2.4 0 0.0 0 0.0 0 0.0 10 42
154 A 154 TYR Y E E Aa - 6 0 -117.1 151.9 176.3 -157.6 62.9 150.0 5 -2.3 7 -2.0 0 0.0 0 0.0 11 58
155 A 155 ILE I E E Aaf - 7 321 -127.9 131.0 177.6 -163.1 3.6 170.9 320 -2.0 322 -2.8 0 0.0 157 -0.5 14 70
156 A 156 LEU L E E Aaf - 8 322 -114.9 117.3 177.8 -152.4 9.1 164.7 7 -2.4 9 -2.6 0 0.0 158 -0.7 13 85
157 A 157 LEU L E E Aaf + 9 323 -91.3 112.3 -177.3 151.3 33.2 149.8 322 -3.0 324 -1.9 155 -0.5 0 0.0 13 85
158 A 158 ALA A e + 0 0 -137.7 53.9 -175.3 138.2 14.3 112.2 9 -2.6 0 0.0 156 -0.7 0 0.0 16 83
159 A 159 THR T - 0 0 -88.8 3.7 177.8 -147.2 46.9 60.7 0 0.0 0 0.0 0 0.0 0 0.0 15 77
160 A 160 GLY G e - 0 0 70.9 -153.9 -177.6 -68.3 25.3 110.4 0 0.0 289 -2.9 0 0.0 0 0.0 12 72
161 A 161 SER S E E BG - 288 0 -130.8 -176.4 -177.4 -141.1 35.7 136.0 0 0.0 0 0.0 0 0.0 0 0.0 10 62
162 A 162 TRP W E E BG - 287 0 -151.9 150.2 -176.0 -82.2 35.3 173.3 287 -1.3 287 -3.1 0 0.0 0 0.0 8 51
163 A 163 PRO P E E BG - 286 0 -60.5 135.7 179.3 -128.1 43.6 102.7 0 0.0 0 0.0 0 0.0 0 0.0 12 50
164 A 164 GLN Q e - 0 0 -82.8 141.9 179.1 -147.7 23.1 127.8 285 -2.0 0 0.0 0 0.0 0 0.0 10 41
165 A 165 HIS H - 0 0 -108.2 165.8 -178.5 -126.9 14.1 132.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38
166 A 166 LEU L - 0 0 -79.2 -41.8 -179.2 -147.2 21.7 32.9 0 0.0 0 0.0 0 0.0 0 0.0 6 39
167 A 167 GLY G + 0 0 74.9 27.9 177.9 125.8 54.9 33.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
168 A 168 ILE I S t > TS- 0 0 -108.3 170.5 178.8 -68.9 77.3 133.4 0 0.0 171 -2.4 0 0.0 0 0.0 8 29
169 A 169 GLU E B B b 3 TS+ 256 0 -63.6 124.3 179.8 21.5 126.2 117.6 255 -0.5 257 -2.4 0 0.0 0 0.0 9 25
170 A 170 GLY G T g > > TS+ 0 0 97.1 -1.9 177.7 130.0 77.0 69.9 0 0.0 173 -3.3 0 0.0 174 -0.7 10 37
171 A 171 ASP D G G 4 X TS+ 0 0 -46.7 -44.1 179.3 61.7 73.3 22.2 168 -2.4 174 -2.5 0 0.0 0 0.0 10 36
172 A 172 ASP D G G 4 3 TS+ 0 0 -56.6 -19.6 179.2 60.4 95.9 49.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
173 A 173 LEU L G G 4 < TS+ 0 0 -83.8 -17.0 179.4 80.4 95.2 49.9 170 -3.3 0 0.0 0 0.0 0 0.0 10 42
174 A 174 CYS C g < < T - 0 0 -88.7 165.9 178.9 -148.3 66.2 117.0 171 -2.5 0 0.0 170 -0.7 0 0.0 10 52
175 A 175 ILE I B B c - 281 0 -122.6 173.0 179.0 -145.0 5.3 129.4 280 -2.6 282 -3.1 0 0.0 0 0.0 12 57
176 A 176 THR T h > T - 0 0 -127.0 -174.5 178.7 -79.2 45.2 134.3 0 0.0 180 -2.1 0 0.0 0 0.0 10 57
177 A 177 SER S H H > TS+ 0 0 -57.8 -37.6 178.1 66.5 124.3 30.7 0 0.0 181 -1.6 0 0.0 0 0.0 12 65
178 A 178 ASN N H H 4 TS+ 0 0 -48.0 -54.2 -178.0 32.6 110.2 21.5 0 0.0 0 0.0 0 0.0 0 0.0 10 56
179 A 179 GLU E H H > > TS+ 0 0 -76.4 -32.9 179.0 70.4 107.1 31.8 0 0.0 182 -2.7 0 0.0 183 -0.6 8 49
180 A 180 ALA A H H < > TS+ 0 0 -53.1 -32.0 179.5 60.6 93.3 32.7 176 -2.1 183 -0.8 0 0.0 0 0.0 9 64
181 A 181 PHE F T h < 3 TS+ 0 0 -72.1 -11.8 -177.7 36.9 111.8 55.5 177 -1.6 0 0.0 0 0.0 0 0.0 9 67
182 A 182 TYR Y T T 4 < TS+ 0 0 -124.6 6.4 179.3 143.5 77.7 69.7 179 -2.7 0 0.0 0 0.0 0 0.0 8 48
183 A 183 LEU L t < < T - 0 0 -49.0 137.5 -179.2 -140.0 47.6 97.4 180 -0.8 0 0.0 179 -0.6 0 0.0 7 44
184 A 184 ASP D S S S+ 0 0 -72.6 -30.9 178.9 15.9 83.4 36.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
185 A 185 GLU E S S S- 0 0 -141.2 155.8 177.6 -103.3 86.2 168.2 0 0.0 0 0.0 0 0.0 0 0.0 6 36
186 A 186 ALA A - 0 0 -76.4 136.1 178.8 -112.6 46.8 126.0 0 0.0 0 0.0 0 0.0 0 0.0 10 49
187 A 187 PRO P - 0 0 -70.7 140.0 178.4 -152.2 14.8 114.6 0 0.0 0 0.0 0 0.0 0 0.0 11 52
188 A 188 LYS K S e S+ 0 0 -79.6 -32.3 177.6 29.1 92.2 31.5 0 0.0 215 -2.4 0 0.0 0 0.0 12 45
189 A 189 ARG R E E Ch S+ 215 0 -127.0 124.4 -177.9 174.4 82.7 172.3 0 0.0 278 -3.2 0 0.0 279 -1.4 12 48
190 A 190 ALA A E E Chi - 216 279 -136.9 149.3 178.7 -153.7 23.6 164.8 215 -2.4 217 -2.5 0 0.0 0 0.0 14 61
191 A 191 LEU L E E Chi - 217 280 -123.8 118.9 177.7 -165.3 7.1 169.8 279 -1.9 281 -2.9 0 0.0 193 -0.6 13 69
192 A 192 CYS C E E Chi - 218 281 -102.5 117.8 -179.7 -158.2 12.2 158.8 217 -2.4 219 -2.2 0 0.0 194 -0.5 16 77
193 A 193 VAL V E E Chi + 219 282 -105.3 124.3 -178.7 47.5 53.3 156.8 281 -2.7 283 -3.0 191 -0.6 0 0.0 14 71
194 A 194 GLY G e - 0 0 124.0 147.2 178.1 -128.2 65.5 104.6 219 -2.8 0 0.0 192 -0.5 0 0.0 15 54
195 A 195 GLY G S S S+ 0 0 -102.6 2.9 -179.1 107.8 73.6 67.1 0 0.0 226 -2.8 0 0.0 0 0.0 16 56
196 A 196 GLY G S h > TS- 0 0 -73.1 177.5 -176.4 -91.4 87.0 103.0 283 -0.5 200 -1.9 0 0.0 0 0.0 12 57
197 A 197 TYR Y H H > TS+ 0 0 -64.4 -36.3 -179.6 54.0 119.3 40.0 0 0.0 201 -2.5 0 0.0 0 0.0 10 59
198 A 198 ILE I H H > TS+ 0 0 -65.4 -41.4 178.5 48.2 110.6 24.5 0 0.0 202 -2.3 0 0.0 0 0.0 8 65
199 A 199 SER S H H > TS+ 0 0 -61.3 -47.9 179.6 46.8 113.4 18.2 0 0.0 203 -2.4 0 0.0 0 0.0 15 69
200 A 200 ILE I H H X TS+ 0 0 -64.2 -42.5 179.3 51.5 112.5 24.5 196 -1.9 204 -1.9 0 0.0 0 0.0 13 73
201 A 201 GLU E H H X TS+ 0 0 -62.7 -41.2 179.7 45.1 111.7 26.6 197 -2.5 205 -1.5 0 0.0 0 0.0 13 70
202 A 202 PHE F H H X TS+ 0 0 -71.1 -32.6 178.7 61.0 105.8 31.9 198 -2.3 206 -3.1 0 0.0 0 0.0 9 76
203 A 203 ALA A H H X TS+ 0 0 -58.5 -44.6 178.6 46.1 107.3 16.4 199 -2.4 207 -2.9 0 0.0 0 0.0 14 75
204 A 204 GLY G H H X TS+ 0 0 -66.7 -36.2 178.4 50.1 112.5 30.2 200 -1.9 208 -1.4 0 0.0 0 0.0 14 71
205 A 205 ILE I H H X TS+ 0 0 -65.5 -49.9 -178.6 42.7 114.9 17.6 201 -1.5 209 -1.6 0 0.0 0 0.0 12 69
206 A 206 PHE F H H X TS+ 0 0 -64.4 -37.4 179.3 60.9 108.4 27.3 202 -3.1 210 -1.5 0 0.0 0 0.0 13 74
207 A 207 ASN N H H < TS+ 0 0 -59.9 -33.1 179.6 42.7 109.3 32.7 203 -2.9 0 0.0 0 0.0 0 0.0 12 60
208 A 208 ALA A H H < TS+ 0 0 -82.8 -36.0 -176.8 41.3 117.2 36.7 204 -1.4 0 0.0 0 0.0 0 0.0 10 59
209 A 209 TYR Y H H < TS+ 0 0 -90.7 -7.8 179.7 115.4 85.8 57.8 205 -1.6 0 0.0 0 0.0 0 0.0 11 55
210 A 210 A LYS K S h < TS- 0 0 -61.5 149.0 179.4 -100.8 77.0 104.7 206 -1.5 0 0.0 0 0.0 0 0.0 13 51
211 A 211 A ALA A t > T - 0 0 -69.3 143.8 -179.5 -87.0 53.1 118.8 0 0.0 214 -1.7 0 0.0 0 0.0 10 33
212 A 212 A ARG R T T 3 TS+ 0 0 -55.3 137.1 -176.9 40.3 122.0 105.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
213 A 213 A GLY G T T 3 TS+ 0 0 100.1 -3.9 179.3 127.8 96.3 74.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
214 A 214 A GLY G t < T - 0 0 -78.1 175.2 -179.8 -153.0 43.9 99.3 211 -1.7 0 0.0 0 0.0 0 0.0 8 37
215 A 215 GLN Q E E Ch - 189 0 -155.7 138.2 176.6 -159.6 9.5 167.7 188 -2.4 190 -2.4 0 0.0 0 0.0 12 41
216 A 216 VAL V E E Chj - 190 246 -116.7 130.1 177.2 -172.2 12.1 164.4 245 -0.5 247 -2.2 0 0.0 0 0.0 14 56
217 A 217 ASP D E E Chj - 191 247 -118.9 153.3 179.5 -154.8 10.4 158.6 190 -2.5 192 -2.4 0 0.0 0 0.0 12 62
218 A 218 LEU L E E Chj - 192 248 -129.7 108.8 180.0 -165.4 11.4 163.7 247 -2.7 249 -3.8 0 0.0 0 0.0 17 67
219 A 219 ALA A E E Chj + 193 249 -102.7 130.4 179.2 173.5 10.9 146.8 192 -2.2 194 -2.8 0 0.0 0 0.0 15 63
220 A 220 TYR Y E E C j - 0 250 -136.4 123.3 -178.0 -144.2 29.2 171.0 249 -2.5 252 -1.3 0 0.0 251 -1.0 15 51
221 A 221 ARG R S S S+ 0 0 -61.5 -18.0 -179.0 71.3 78.7 48.3 0 0.0 0 0.0 0 0.0 0 0.0 10 37
222 A 222 GLY G S S S- 0 0 -94.6 -172.6 -178.9 -98.2 93.4 101.7 0 0.0 251 -2.4 0 0.0 0 0.0 9 35
223 A 223 ASP D S S S+ 0 0 -69.8 -54.9 -178.9 10.8 101.0 20.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
224 A 224 A MET M S S S- 0 0 -137.3 132.1 178.5 -114.1 79.0 176.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
225 A 225 ILE I S S S+ 0 0 -55.7 156.4 -179.7 39.6 91.5 94.1 0 0.0 0 0.0 0 0.0 0 0.0 12 52
226 A 226 LEU L S t > TS- 0 0 63.2 55.1 176.3 -159.4 73.3 23.2 195 -2.8 229 -2.1 0 0.0 0 0.0 9 56
227 A 227 ARG R T T 3 TS+ 0 0 -55.7 141.0 -178.8 38.6 78.2 107.1 0 0.0 0 0.0 0 0.0 0 0.0 7 41
228 A 228 GLY G T T 3 TS+ 0 0 98.1 -19.4 179.3 101.0 97.9 79.1 0 0.0 0 0.0 0 0.0 0 0.0 5 45
229 A 229 PHE F S t < TS- 0 0 -98.4 165.8 -179.2 -69.7 89.6 117.7 226 -2.1 0 0.0 0 0.0 0 0.0 8 52
230 A 230 ASP D h > T - 0 0 -53.1 127.0 -178.9 -137.8 44.4 114.6 0 0.0 234 -2.1 0 0.0 0 0.0 9 53
231 A 231 SER S H H > TS+ 0 0 -59.0 -40.5 176.6 48.9 99.4 36.3 0 0.0 235 -2.2 0 0.0 0 0.0 6 44
232 A 232 GLU E H H > TS+ 0 0 -68.6 -41.1 179.1 48.3 112.2 26.2 0 0.0 236 -2.3 0 0.0 0 0.0 6 44
233 A 233 LEU L H H > TS+ 0 0 -67.4 -34.6 178.7 54.9 109.4 27.5 0 0.0 237 -3.0 0 0.0 0 0.0 12 60
234 A 234 ARG R H H X TS+ 0 0 -60.9 -49.3 177.6 46.8 109.0 16.6 230 -2.1 238 -2.6 0 0.0 0 0.0 12 52
235 A 235 LYS K H H X TS+ 0 0 -53.8 -51.7 -177.2 46.3 115.7 20.8 231 -2.2 239 -1.8 0 0.0 0 0.0 9 46
236 A 236 GLN Q H H X TS+ 0 0 -63.7 -39.2 177.9 51.7 110.2 24.8 232 -2.3 240 -2.4 0 0.0 0 0.0 8 47
237 A 237 LEU L H H X TS+ 0 0 -63.4 -44.6 -179.1 54.2 107.4 18.0 233 -3.0 241 -2.2 0 0.0 0 0.0 10 62
238 A 238 THR T H H X TS+ 0 0 -57.0 -42.8 177.9 47.1 109.7 26.2 234 -2.6 242 -2.2 0 0.0 0 0.0 10 57
239 A 239 A GLU E H H X TS+ 0 0 -67.4 -39.5 178.2 50.9 110.8 25.3 235 -1.8 243 -3.1 0 0.0 0 0.0 8 41
240 A 240 GLN Q H H X TS+ 0 0 -68.3 -31.5 176.8 50.0 109.5 34.7 236 -2.4 244 -0.6 0 0.0 0 0.0 11 51
241 A 241 LEU L H H < >>TS+ 0 0 -68.5 -40.4 179.0 49.2 112.8 22.0 237 -2.2 246 -2.3 0 0.0 244 -0.9 14 60
242 A 242 ARG R H H < >5TS+ 0 0 -63.1 -42.3 180.0 54.7 106.8 20.9 238 -2.2 245 -2.0 0 0.0 0 0.0 10 39
243 A 243 ALA A H H < 35TS+ 0 0 -66.3 -17.1 -179.7 53.2 106.0 44.9 239 -3.1 0 0.0 0 0.0 0 0.0 8 35
244 A 244 ASN N T h < <5TS- 0 0 -101.6 8.5 174.1 -86.8 132.0 69.6 241 -0.9 0 0.0 240 -0.6 0 0.0 6 52
245 A 245 GLY G T e <5TS+ 0 0 108.0 3.4 -179.1 133.9 82.4 63.9 242 -2.0 247 -0.5 0 0.0 216 -0.5 9 46
246 A 246 ILE I E E Cj T - 219 0 -110.2 88.9 179.5 -173.3 4.3 146.5 218 -3.8 220 -2.5 247 -0.7 252 -0.6 9 49
250 A 250 THR T E E Cj 3 TS+ 220 0 -74.1 163.8 -177.8 28.7 73.7 110.6 248 -0.7 0 0.0 0 0.0 0 0.0 12 41
251 A 251 HIS H T e 3 TS+ 0 0 49.7 37.8 177.2 125.7 95.2 30.2 222 -2.4 0 0.0 220 -1.0 0 0.0 9 32
252 A 252 GLU E t < T + 0 0 -122.6 144.7 179.4 165.8 29.6 163.0 220 -1.3 0 0.0 249 -0.6 0 0.0 12 39
253 A 253 ASN N e - 0 0 -160.9 122.4 177.4 -114.0 37.8 151.1 0 0.0 270 -2.1 0 0.0 0 0.0 11 49
254 A 254 PRO P E E DK - 269 0 -60.9 134.6 179.4 -179.3 26.6 112.9 0 0.0 0 0.0 0 0.0 0 0.0 9 52
255 A 255 ALA A E E D* S+ 0 0 -99.6 -42.2 179.3 5.9 70.5 40.8 268 -2.7 169 -0.5 0 0.0 0 0.0 10 38
256 A 256 LYS K E E DKb - 268 169 -145.6 148.5 178.0 -162.6 59.2 173.5 268 -1.7 268 -2.2 0 0.0 0 0.0 10 38
257 A 257 VAL V E E DK + 267 0 -133.0 134.7 179.9 176.8 13.4 177.5 169 -2.4 0 0.0 0 0.0 0 0.0 14 45
258 A 258 THR T E E DK - 266 0 -132.1 163.3 -179.8 -109.8 32.6 148.2 266 -2.1 266 -2.7 0 0.0 260 -0.7 10 34
259 A 259 LYS K E E DK - 265 0 -103.0 115.7 179.0 -140.5 32.5 154.2 0 0.0 0 0.0 0 0.0 0 0.0 10 29
260 A 260 ASN N e > T - 0 0 -65.7 163.5 179.6 -105.2 27.1 102.5 264 -3.5 263 -2.0 258 -0.7 0 0.0 8 24
261 A 261 ALA A T T 3 TS+ 0 0 -62.8 -30.5 179.6 52.1 124.2 36.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
262 A 262 ASP D T T 3 TS- 0 0 -88.8 7.7 178.3 -105.8 124.6 67.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
263 A 263 GLY G S t < TS+ 0 0 88.5 -3.1 179.4 129.8 78.7 67.1 260 -2.0 0 0.0 0 0.0 0 0.0 7 24
264 A 264 THR T e - 0 0 -83.6 155.1 -178.9 -106.7 61.7 119.7 0 0.0 260 -3.5 0 0.0 0 0.0 11 35
265 A 265 ARG R E E DKL - 259 277 -84.6 137.0 176.1 -152.5 22.5 130.6 277 -2.1 277 -2.1 0 0.0 267 -0.6 14 42
266 A 266 HIS H E E DKL - 258 276 -109.9 121.8 -179.2 -164.8 13.9 159.2 258 -2.7 258 -2.1 0 0.0 0 0.0 12 41
267 A 267 VAL V E E DKL - 257 275 -110.6 135.0 178.6 -167.8 11.0 154.5 275 -3.3 275 -2.3 265 -0.6 269 -0.6 13 49
268 A 268 VAL V E E DKL - 256 274 -120.4 108.7 -178.2 -147.3 21.0 170.0 256 -2.2 255 -2.7 0 0.0 256 -1.7 12 37
269 A 269 PHE F E E DK > T - 254 0 -73.5 169.0 179.1 -112.9 24.6 103.0 273 -2.6 272 -0.7 267 -0.6 0 0.0 12 39
270 A 270 GLU E T e 3 TS+ 0 0 -68.4 -31.0 -179.4 67.2 116.5 33.6 253 -2.1 0 0.0 0 0.0 0 0.0 9 27
271 A 271 SER S T T 3 TS- 0 0 -60.3 -25.5 -176.7 -106.5 121.4 42.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
272 A 272 GLY G S t < TS+ 0 0 112.5 -16.1 178.3 131.7 81.4 83.7 269 -0.7 0 0.0 0 0.0 0 0.0 6 20
273 A 273 ALA A e - 0 0 -63.9 158.1 -179.2 -165.8 38.0 104.0 0 0.0 269 -2.6 0 0.0 0 0.0 7 28
274 A 274 GLU E E E DL + 268 0 -145.6 150.0 179.7 160.8 13.0 168.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
275 A 275 ALA A E E DL - 267 0 -167.2 162.0 -179.6 -121.7 30.9 167.8 267 -2.3 267 -3.3 0 0.0 0 0.0 7 41
276 A 276 ASP D E E DL + 266 0 -113.9 140.3 179.8 173.0 28.8 156.9 0 0.0 0 0.0 0 0.0 0 0.0 9 41
277 A 277 TYR Y E E DL - 265 0 -140.9 158.0 177.1 -135.8 36.4 160.4 265 -2.1 265 -2.1 0 0.0 0 0.0 14 51
278 A 278 ASP D S S S+ 0 0 -82.2 -28.7 -178.7 23.0 97.1 37.3 189 -3.2 0 0.0 0 0.0 0 0.0 11 49
279 A 279 VAL V E E Ci - 190 0 -137.5 138.1 174.3 -166.5 60.6 169.8 189 -1.4 191 -1.9 0 0.0 0 0.0 12 58
280 A 280 VAL V E E Ci - 191 0 -127.7 108.6 -177.9 -170.0 17.2 162.4 0 0.0 175 -2.6 0 0.0 282 -0.5 13 71
281 A 281 MET M E E Cic - 192 175 -105.7 124.1 -179.3 -151.2 10.9 155.8 191 -2.9 193 -2.7 0 0.0 283 -0.6 13 67
282 A 282 LEU L E E Ci + 193 0 -98.4 122.9 178.5 159.3 26.9 146.3 175 -3.1 0 0.0 280 -0.5 0 0.0 16 60
283 A 283 ALA A e + 0 0 -138.1 62.5 -178.6 128.3 28.9 127.3 193 -3.0 196 -0.5 281 -0.6 0 0.0 15 57
284 A 284 ILE I S S S- 0 0 -99.2 -6.8 -178.2 -33.7 73.9 64.9 0 0.0 0 0.0 0 0.0 0 0.0 12 49
285 A 285 GLY G e - 0 0 166.2 171.8 179.9 -117.3 46.3 164.7 0 0.0 164 -2.0 0 0.0 0 0.0 9 50
286 A 286 ARG R E E BG - 163 0 -141.0 115.8 -177.1 -150.2 28.7 161.2 0 0.0 0 0.0 0 0.0 0 0.0 9 48
287 A 287 VAL V E E BG - 162 0 -95.1 138.7 173.5 -95.3 30.3 139.3 162 -3.1 162 -1.3 0 0.0 0 0.0 12 43
288 A 288 PRO P E E BG - 161 0 -44.2 120.2 -179.0 -133.6 37.3 101.7 0 0.0 290 -1.5 0 0.0 0 0.0 16 46
289 A 289 ARG R S e S+ 0 0 -84.1 75.7 -178.7 110.6 71.0 125.7 160 -2.9 0 0.0 0 0.0 0 0.0 12 55
290 A 290 SER S t > T + 0 0 -126.0 -4.8 -175.3 101.1 39.0 63.9 288 -1.5 293 -1.4 0 0.0 0 0.0 11 56
291 A 291 GLN Q T T 3 TS+ 0 0 -59.8 -28.4 178.1 39.8 86.5 46.1 0 0.0 0 0.0 0 0.0 0 0.0 6 45
292 A 292 THR T T T 3 TS+ 0 0 -106.6 16.1 -179.0 90.0 90.2 76.4 0 0.0 0 0.0 0 0.0 0 0.0 9 45
293 A 293 LEU L S t < TS- 0 0 -86.1 -11.1 -179.2 -132.4 86.9 54.6 290 -1.4 128 -2.9 0 0.0 0 0.0 8 59
294 A 294 GLN Q g > T + 0 0 59.5 45.9 -179.5 170.9 38.8 22.2 0 0.0 297 -1.7 0 0.0 0 0.0 10 41
295 A 295 LEU L G G >>T + 0 0 -59.4 -26.8 -179.8 71.4 66.2 41.2 0 0.0 300 -2.3 0 0.0 298 -1.8 11 52
296 A 296 GLU E G G >5TS+ 0 0 -62.6 -25.4 179.7 70.1 83.4 34.8 0 0.0 299 -0.7 0 0.0 0 0.0 7 32
297 A 297 LYS K G G <5TS+ 0 0 -67.4 -13.5 179.0 31.1 111.4 56.5 294 -1.7 0 0.0 0 0.0 0 0.0 10 29
298 A 298 ALA A G G <5TS- 0 0 -122.6 1.8 179.7 -113.6 115.2 71.8 295 -1.8 0 0.0 0 0.0 0 0.0 11 40
299 A 299 GLY G T g <5T + 0 0 70.0 29.0 179.4 170.2 53.4 40.9 296 -0.7 0 0.0 0 0.0 0 0.0 7 35
300 A 300 VAL V t T - 0 0 -88.5 172.4 -178.5 -91.6 44.3 116.4 307 -2.1 306 -2.2 0 0.0 0 0.0 8 28
304 A 304 LYS K T T 3 TS+ 0 0 -57.7 -35.3 -179.5 53.7 127.4 30.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
305 A 305 ASN N T T 3 TS- 0 0 -80.2 0.0 179.0 -100.8 124.1 61.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
306 A 306 GLY G S t < TS+ 0 0 95.6 0.8 177.6 149.9 71.7 61.9 303 -2.2 0 0.0 0 0.0 0 0.0 12 40
307 A 307 ALA A - 0 0 -70.8 129.8 178.2 -124.9 49.2 123.3 0 0.0 303 -2.1 0 0.0 309 -0.7 14 46
308 A 308 ILE I B B D - 302 0 -79.0 115.9 178.7 -125.7 26.7 130.2 327 -1.9 0 0.0 0 0.0 0 0.0 15 53
309 A 309 LYS K + 0 0 -63.2 128.6 179.6 170.9 39.0 115.0 301 -1.1 0 0.0 307 -0.7 0 0.0 10 45
310 A 310 VAL V - 0 0 -137.4 163.9 177.2 -125.7 28.6 148.6 0 0.0 0 0.0 0 0.0 0 0.0 12 46
311 A 311 ASP D t > T - 0 0 -96.6 -172.1 -178.6 -80.6 52.0 118.6 315 -1.3 314 -2.5 0 0.0 0 0.0 7 40
312 A 312 ALA A T T 3 TS+ 0 0 -60.0 -29.6 179.4 53.2 134.0 41.5 0 0.0 356 -0.5 0 0.0 0 0.0 7 38
313 A 313 TYR Y T T 3 TS- 0 0 -88.6 7.5 176.7 -111.7 119.0 72.5 0 0.0 0 0.0 0 0.0 0 0.0 12 46
314 A 314 SER S t < T + 0 0 76.2 10.4 179.5 143.1 69.4 59.5 311 -2.5 323 -2.6 0 0.0 0 0.0 12 58
315 A 315 LYS K B B E - 322 0 -85.6 138.1 177.4 -141.4 42.1 126.9 0 0.0 311 -1.3 0 0.0 0 0.0 13 51
316 A 316 THR T - 0 0 -80.1 -177.1 177.4 -83.5 43.9 103.3 321 -2.9 0 0.0 318 -0.6 0 0.0 14 45
317 A 317 ASN N S S S+ 0 0 -67.7 -3.6 176.3 77.7 120.5 67.5 0 0.0 319 -0.6 0 0.0 0 0.0 9 33
318 A 318 VAL V S t > TS- 0 0 -110.1 116.9 -176.1 -143.0 83.7 168.2 0 0.0 321 -2.1 0 0.0 316 -0.6 11 33
319 A 319 ASP D T T 3 TS+ 0 0 -52.9 -30.8 -179.7 43.8 96.3 47.9 317 -0.6 0 0.0 0 0.0 0 0.0 7 34
320 A 320 ASN N T e 3 TS+ 0 0 -99.3 6.2 177.8 81.1 101.9 67.7 0 0.0 155 -2.0 0 0.0 322 -0.5 9 45
321 A 321 ILE I E E Af < T + 155 0 -116.4 119.1 -179.9 178.6 56.7 160.3 318 -2.1 316 -2.9 0 0.0 0 0.0 13 62
322 A 322 TYR Y E E AfE - 156 315 -111.3 163.1 178.7 -158.3 11.4 136.6 155 -2.8 157 -3.0 320 -0.5 0 0.0 15 70
323 A 323 ALA A E E Af + 157 0 -146.1 131.4 179.5 175.4 13.4 169.8 314 -2.6 0 0.0 0 0.0 0 0.0 14 78
324 A 324 ILE I e > T + 0 0 -130.5 164.0 176.0 16.2 38.3 148.9 157 -1.9 327 -0.6 0 0.0 0 0.0 15 73
325 A 325 GLY G G G > TS- 0 0 81.2 -161.2 -178.1 -15.0 110.8 102.8 0 0.0 328 -2.4 0 0.0 0 0.0 20 67
326 A 326 ASP D G G > TS+ 0 0 -53.7 -34.4 -178.8 70.0 123.0 36.1 0 0.0 329 -2.2 0 0.0 0 0.0 15 60
327 A 327 VAL V G G < TS+ 0 0 -60.3 -15.8 178.1 55.1 96.1 44.2 324 -0.6 308 -1.9 0 0.0 0 0.0 18 62
328 A 328 THR T G G < TS- 0 0 -91.6 -9.1 178.8 -136.3 102.0 57.3 325 -2.4 0 0.0 0 0.0 0 0.0 12 60
329 A 329 ASP D g < T + 0 0 51.7 51.4 177.9 118.9 66.4 17.5 326 -2.2 0 0.0 0 0.0 0 0.0 10 46
330 A 330 ARG R S S S- 0 0 -106.1 -105.4 176.8 -15.2 85.4 67.9 0 0.0 332 -0.8 0 0.0 0 0.0 6 51
331 A 331 VAL V - 0 0 -107.0 106.2 -178.2 -146.1 68.8 150.9 0 0.0 333 -2.3 0 0.0 0 0.0 8 47
332 A 332 A MET M + 0 0 -74.2 68.5 178.8 115.3 54.9 111.4 330 -0.8 0 0.0 0 0.0 0 0.0 9 53
333 A 333 LEU L h > T - 0 0 -135.4 150.5 -178.8 -123.8 68.4 167.0 331 -2.3 337 -2.3 0 0.0 0 0.0 8 57
334 A 334 THR T H H > TS+ 0 0 -57.8 -54.6 -172.0 49.5 108.3 18.6 0 0.0 338 -2.6 0 0.0 0 0.0 10 53
335 A 335 PRO P H H > TS+ 0 0 -62.1 -31.6 179.4 51.0 111.1 34.3 0 0.0 339 -2.5 0 0.0 0 0.0 7 44
336 A 336 VAL V H H > TS+ 0 0 -69.5 -45.4 178.5 48.4 110.0 18.8 0 0.0 340 -2.7 0 0.0 0 0.0 12 51
337 A 337 ALA A H H X TS+ 0 0 -60.3 -36.7 -179.6 50.8 112.6 26.8 333 -2.3 341 -1.7 0 0.0 0 0.0 14 64
338 A 338 ILE I H H X TS+ 0 0 -66.6 -45.8 -180.0 49.0 109.5 17.0 334 -2.6 342 -2.0 0 0.0 0 0.0 14 55
339 A 339 ASN N H H X TS+ 0 0 -59.3 -45.4 -179.6 51.4 110.3 25.3 335 -2.5 343 -2.8 0 0.0 0 0.0 10 47
340 A 340 GLU E H H X TS+ 0 0 -61.1 -35.2 179.4 53.5 107.7 34.9 336 -2.7 344 -2.2 0 0.0 0 0.0 14 61
341 A 341 GLY G H H X TS+ 0 0 -67.4 -43.4 -179.6 44.3 111.0 24.9 337 -1.7 345 -1.9 0 0.0 0 0.0 13 73
342 A 342 ALA A H H X TS+ 0 0 -68.2 -42.1 178.5 50.3 113.7 27.8 338 -2.0 346 -2.2 0 0.0 0 0.0 12 52
343 A 343 ALA A H H X TS+ 0 0 -59.9 -45.3 178.0 54.2 108.6 24.0 339 -2.8 347 -2.8 0 0.0 0 0.0 13 47
344 A 344 PHE F H H X TS+ 0 0 -52.8 -53.1 -179.4 46.8 109.2 21.7 340 -2.2 348 -2.8 0 0.0 0 0.0 15 60
345 A 345 VAL V H H X >TS+ 0 0 -60.0 -44.1 -180.0 49.9 112.3 22.6 341 -1.9 349 -2.8 0 0.0 350 -1.0 12 57
346 A 346 ASP D H H X 5TS+ 0 0 -62.1 -40.6 -179.9 46.5 114.1 23.9 342 -2.2 352 -2.7 0 0.0 350 -0.8 12 41
347 A 347 THR T H H < 5TS+ 0 0 -63.9 -56.8 -175.2 28.8 124.2 7.2 343 -2.8 0 0.0 0 0.0 0 0.0 12 40
348 A 348 VAL V H H < 5TS+ 0 0 -75.3 -41.1 -175.0 20.7 136.1 28.6 344 -2.8 0 0.0 0 0.0 0 0.0 9 49
349 A 349 PHE F H H < 5TS+ 0 0 -109.7 -16.6 179.5 40.6 128.6 52.4 345 -2.8 0 0.0 0 0.0 0 0.0 9 43
350 A 350 ALA A S h < > T - 0 0 -84.0 154.5 -177.8 -107.2 38.7 129.4 0 0.0 381 -2.0 0 0.0 380 -0.6 12 52
378 A 378 GLU E H H > 3 TS+ 0 0 -54.9 -34.4 177.9 61.8 115.9 38.4 0 0.0 382 -3.1 0 0.0 0 0.0 11 52
379 A 379 GLU E H H > 3 TS+ 0 0 -59.2 -45.0 178.8 38.1 111.5 22.3 0 0.0 383 -1.0 0 0.0 0 0.0 6 42
380 A 380 ASP D H H > < TS+ 0 0 -75.6 -35.8 177.6 52.5 115.7 35.8 377 -0.6 384 -0.6 0 0.0 0 0.0 8 39
381 A 381 ALA A H H X > TS+ 0 0 -65.2 -39.9 179.3 57.1 104.1 23.0 377 -2.0 385 -1.7 0 0.0 384 -1.3 12 46
382 A 382 ALA A H H < 3 TS+ 0 0 -57.5 -33.8 180.0 55.4 104.8 29.1 378 -3.1 480 -0.7 0 0.0 0 0.0 15 38
383 A 383 LYS K H H < 3 TS+ 0 0 -73.3 -23.8 -179.0 35.7 113.4 48.1 379 -1.0 0 0.0 0 0.0 0 0.0 9 28
384 A 384 LYS K H H < < TS+ 0 0 -108.1 -13.6 179.9 51.5 112.9 56.6 381 -1.3 0 0.0 380 -0.6 0 0.0 6 30
385 A 385 TYR Y h < T - 0 0 -125.5 152.0 -179.6 -138.0 67.9 159.3 381 -1.7 0 0.0 0 0.0 0 0.0 9 33
386 A 386 ASP D S e S+ 0 0 -77.8 -26.9 177.5 32.8 95.2 45.1 0 0.0 479 -3.4 0 0.0 0 0.0 10 31
387 A 387 GLN Q E E EO + 478 0 -137.1 113.4 178.9 177.7 69.6 159.5 0 0.0 418 -1.4 0 0.0 419 -0.7 13 38
388 A 388 VAL V E E EOP - 477 417 -115.2 133.5 176.8 -155.7 12.7 157.3 477 -2.1 477 -1.8 0 0.0 0 0.0 16 47
389 A 389 ALA A E E EOP - 476 416 -110.7 136.7 178.4 -158.2 4.0 156.3 416 -2.4 416 -2.8 0 0.0 0 0.0 13 52
390 A 390 VAL V E E EOP - 475 415 -116.4 124.4 177.6 -169.9 6.7 170.1 475 -2.3 474 -3.7 0 0.0 475 -1.2 13 61
391 A 391 TYR Y E E E P - 0 414 -111.4 137.4 179.5 -179.4 10.6 156.3 414 -2.9 414 -2.5 0 0.0 0 0.0 13 55
392 A 392 GLU E E E E P + 0 413 -142.0 151.7 179.3 167.7 13.1 165.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
393 A 393 SER S E E E P + 0 412 -159.4 137.6 177.3 174.2 2.4 157.4 412 -1.6 412 -3.0 0 0.0 0 0.0 9 41
394 A 394 SER S E E E P + 0 411 -144.8 148.4 -178.1 167.8 5.3 168.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
395 A 395 PHE F E E E P - 0 410 -158.5 152.5 178.0 -126.2 32.7 164.2 410 -1.9 410 -3.2 0 0.0 0 0.0 7 36
396 A 396 THR T - 0 0 -108.6 112.7 -172.6 -118.7 37.6 162.3 0 0.0 0 0.0 0 0.0 0 0.0 11 34
397 A 397 PRO P h > > T - 0 0 -55.0 144.7 178.4 -126.0 13.8 103.5 0 0.0 400 -1.6 0 0.0 401 -0.7 10 34
398 A 398 LEU L H H > > TS+ 0 0 -57.1 -35.0 -180.0 65.8 107.8 35.2 0 0.0 402 -1.4 0 0.0 401 -0.8 6 25
399 A 399 MET M H H > 3 TS+ 0 0 -60.9 -26.9 179.8 53.3 98.2 40.6 0 0.0 403 -2.0 0 0.0 0 0.0 6 29
400 A 400 HIS H H H > < TS+ 0 0 -83.9 -17.6 174.8 58.6 100.3 46.6 397 -1.6 404 -1.2 0 0.0 0 0.0 12 34
401 A 401 ASN N H H < < TS+ 0 0 -76.0 -29.6 176.6 40.9 113.7 29.3 398 -0.8 0 0.0 397 -0.7 0 0.0 10 24
402 A 402 ILE I H H < TS+ 0 0 -81.1 -41.1 -179.5 49.3 114.8 31.1 398 -1.4 0 0.0 0 0.0 0 0.0 9 24
403 A 403 SER S H H < TS- 0 0 -69.2 -27.0 -178.1 -121.2 110.4 40.8 399 -2.0 0 0.0 0 0.0 0 0.0 13 28
404 A 404 GLY G S h < TS+ 0 0 104.3 -12.3 -179.8 118.4 80.8 74.5 400 -1.2 406 -1.9 0 0.0 0 0.0 8 28
405 A 405 SER S t > T + 0 0 -87.1 66.3 -175.1 160.3 31.0 111.3 0 0.0 408 -2.1 0 0.0 0 0.0 9 38
406 A 406 THR T T T 3 T + 0 0 -64.6 -16.9 179.7 68.4 60.8 50.8 404 -1.9 0 0.0 0 0.0 0 0.0 9 34
407 A 407 TYR Y T T 3 T + 0 0 -80.6 -4.0 -176.7 108.5 69.6 60.6 0 0.0 409 -2.2 0 0.0 0 0.0 7 38
408 A 408 LYS K t < T + 0 0 -81.1 68.5 179.0 171.8 47.1 112.1 405 -2.1 0 0.0 0 0.0 0 0.0 11 48
409 A 409 LYS K - 0 0 -75.3 142.1 177.2 -142.6 25.0 115.9 407 -2.2 0 0.0 0 0.0 0 0.0 10 49
410 A 410 PHE F E E EP - 395 0 -106.2 134.3 -178.8 -167.1 21.7 157.1 395 -3.2 395 -1.9 0 0.0 0 0.0 13 56
411 A 411 MET M E E EPQ - 394 429 -129.4 140.6 178.0 -176.5 14.8 169.6 429 -2.3 429 -2.2 0 0.0 0 0.0 13 56
412 A 412 VAL V E E EPQ + 393 428 -133.6 126.8 178.9 179.7 6.0 178.1 393 -3.0 393 -1.6 0 0.0 0 0.0 13 68
413 A 413 ARG R E E EPQ - 392 427 -132.0 131.5 180.0 -167.2 5.9 175.9 427 -2.2 427 -2.6 0 0.0 0 0.0 11 64
414 A 414 ILE I E E EPQ - 391 426 -122.8 131.0 -178.0 -159.7 5.2 168.3 391 -2.5 391 -2.9 0 0.0 416 -0.5 12 71
415 A 415 VAL V E E EPQ + 390 425 -110.1 126.5 -179.3 176.2 20.4 157.0 425 -2.7 424 -3.0 0 0.0 425 -1.9 16 67
416 A 416 THR T E E EPQ - 389 423 -129.8 161.9 173.0 -114.6 41.0 150.1 389 -2.8 389 -2.4 414 -0.5 418 -0.9 14 60
417 A 417 ASN N E E >EP > T - 388 0 -90.7 104.4 -177.6 -155.6 33.4 154.0 422 -2.4 421 -2.3 0 0.0 420 -0.9 13 48
418 A 418 HIS H T e 4 3 TS+ 0 0 -57.3 -28.3 179.2 66.6 83.4 44.4 387 -1.4 0 0.0 416 -0.9 0 0.0 9 44
419 A 419 ALA A T T 4 3 TS+ 0 0 -62.8 -40.0 179.9 7.2 126.2 30.6 387 -0.7 0 0.0 0 0.0 0 0.0 6 28
420 A 420 ASP D T T 4 < TS- 0 0 -125.1 0.6 179.5 -115.7 98.2 68.6 417 -0.9 0 0.0 0 0.0 0 0.0 6 24
421 A 421 GLY G t < T + 0 0 79.2 3.4 179.9 161.4 53.4 59.3 417 -2.3 450 -2.5 0 0.0 0 0.0 10 38
422 A 422 GLU E B e F - 449 0 -63.6 130.1 -179.9 -124.2 42.5 116.3 0 0.0 417 -2.4 0 0.0 424 -0.5 11 45
423 A 423 VAL V E E E Q + 0 416 -80.8 114.3 -177.8 176.9 32.4 131.6 448 -2.1 0 0.0 0 0.0 0 0.0 14 61
424 A 424 LEU L E E E * + 0 0 -90.3 -34.8 178.6 2.3 63.2 40.0 415 -3.0 376 -2.0 422 -0.5 0 0.0 12 60
425 A 425 GLY G E E ENQ - 375 415 -157.2 149.0 178.0 -161.0 51.1 173.7 415 -1.9 415 -2.7 0 0.0 0 0.0 13 68
426 A 426 VAL V E E ENQ - 374 414 -132.5 126.3 -175.8 -174.0 15.5 173.6 374 -2.6 374 -2.1 0 0.0 0 0.0 14 78
427 A 427 HIS H E E ENQ - 373 413 -131.3 119.2 -178.0 -178.6 4.2 170.1 413 -2.6 413 -2.2 0 0.0 0 0.0 15 72
428 A 428 MET M E E ENQ - 372 412 -126.1 144.3 178.0 -171.0 11.3 160.8 372 -2.2 372 -2.0 0 0.0 0 0.0 14 68
429 A 429 LEU L E E ENQ + 371 411 -131.3 134.4 177.8 51.8 46.7 177.0 411 -2.2 411 -2.3 0 0.0 0 0.0 14 63
430 A 430 GLY G S e > TS- 0 0 127.4 166.6 179.0 -28.3 90.4 119.4 370 -3.2 433 -2.1 0 0.0 0 0.0 12 59
431 A 431 ASP D T T 3 TS+ 0 0 -51.6 134.2 -177.2 13.8 125.1 98.6 0 0.0 0 0.0 0 0.0 0 0.0 9 56
432 A 432 SER S T h > > TS+ 0 0 79.8 -4.1 -179.9 122.5 85.7 73.3 0 0.0 436 -2.6 0 0.0 435 -0.8 7 41
433 A 433 SER S H H > < TS+ 0 0 -58.8 -34.5 172.7 54.1 72.2 32.5 430 -2.1 437 -2.3 0 0.0 0 0.0 14 48
434 A 434 PRO P H H > 3 TS+ 0 0 -62.6 -33.0 -179.5 46.2 112.3 32.8 0 0.0 438 -0.7 0 0.0 0 0.0 15 43
435 A 435 GLU E H H 4 < TS+ 0 0 -75.2 -42.5 179.8 46.9 113.9 24.5 432 -0.8 0 0.0 0 0.0 0 0.0 7 37
436 A 436 ILE I H H X > TS+ 0 0 -67.5 -41.0 -177.1 62.0 103.1 29.3 432 -2.6 440 -0.9 0 0.0 439 -0.6 10 45
437 A 437 ILE I H H X 3 TS+ 0 0 -61.4 -24.5 -178.5 75.2 86.1 38.5 433 -2.3 441 -2.1 0 0.0 0 0.0 14 49
438 A 438 GLN Q H H X 3 TS+ 0 0 -56.7 -51.2 178.4 38.7 101.7 26.7 434 -0.7 442 -1.0 0 0.0 0 0.0 9 36
439 A 439 SER S H H > < TS+ 0 0 -72.6 -23.7 174.8 63.3 108.5 40.3 436 -0.6 443 -2.0 0 0.0 0 0.0 7 37
440 A 440 VAL V H H X TS+ 0 0 -61.3 -42.2 178.8 53.6 101.1 21.4 436 -0.9 444 -2.3 0 0.0 0 0.0 10 53
441 A 441 ALA A H H X TS+ 0 0 -59.5 -41.4 177.1 54.9 104.0 30.3 437 -2.1 445 -1.9 0 0.0 0 0.0 12 44
442 A 442 ILE I H H X TS+ 0 0 -57.9 -46.4 -178.8 43.8 111.8 17.2 438 -1.0 446 -1.7 0 0.0 0 0.0 8 33
443 A 443 A CYS C H H < >TS+ 0 0 -71.4 -34.0 176.8 53.7 110.0 32.6 439 -2.0 448 -2.3 0 0.0 0 0.0 9 37
444 A 444 LEU L H H < >5TS+ 0 0 -65.4 -37.2 178.7 51.7 107.7 26.1 440 -2.3 447 -1.6 0 0.0 0 0.0 11 42
445 A 445 LYS K H H < 35TS+ 0 0 -62.8 -37.0 177.0 55.7 107.2 23.5 441 -1.9 0 0.0 0 0.0 0 0.0 8 31
446 A 446 MET M T h < 35TS- 0 0 -73.3 0.3 178.3 -108.8 122.9 63.5 442 -1.7 0 0.0 0 0.0 0 0.0 6 28
447 A 447 GLY G T T <5T - 0 0 75.9 33.4 -179.7 -168.3 48.4 35.2 444 -1.6 0 0.0 0 0.0 0 0.0 8 31
448 A 448 ALA A t F > T - 422 0 -114.6 165.9 -177.3 -101.3 31.6 138.5 0 0.0 453 -1.1 0 0.0 452 -0.9 11 41
450 A 450 ILE I H H > > TS+ 0 0 -58.9 -34.4 178.7 59.6 120.5 28.6 421 -2.5 454 -2.2 0 0.0 453 -0.6 11 47
451 A 451 SER S H H > 3 TS+ 0 0 -64.9 -29.0 178.2 60.2 97.3 33.5 0 0.0 455 -2.5 0 0.0 0 0.0 8 38
452 A 452 ASP D H H 4 < TS+ 0 0 -64.2 -36.9 178.4 47.4 107.6 26.6 449 -0.9 0 0.0 0 0.0 0 0.0 8 38
453 A 453 PHE F H H < X TS+ 0 0 -66.7 -54.9 -176.8 39.0 117.5 10.7 449 -1.1 456 -1.1 450 -0.6 0 0.0 12 48
454 A 454 TYR Y H H < 3 TS+ 0 0 -76.3 -14.9 177.0 59.3 108.9 44.9 450 -2.2 0 0.0 0 0.0 0 0.0 12 35
455 A 455 ASN N T h < 3 TS+ 0 0 -83.1 -12.6 -179.2 97.2 85.8 48.8 451 -2.5 0 0.0 0 0.0 0 0.0 7 22
456 A 456 THR T S t < TS- 0 0 -77.5 134.8 -178.2 -118.0 83.5 127.5 453 -1.1 0 0.0 0 0.0 0 0.0 7 23
457 A 457 ILE I - 0 0 -75.2 138.4 -178.3 -115.8 31.6 118.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
458 A 458 GLY G - 0 0 -75.7 157.8 177.2 -133.8 10.0 107.6 0 0.0 0 0.0 0 0.0 0 0.0 8 21
459 A 459 VAL V - 0 0 -109.4 128.8 -172.1 -111.6 43.0 165.6 0 0.0 0 0.0 0 0.0 0 0.0 7 17
460 A 460 HIS H S S S+ 0 0 -131.4 139.1 -4.1 12.1 83.1 162.1 0 0.0 0 0.0 0 0.0 0 0.0 5 15
461 A 461 PRO P S S S+ 0 0 -96.2 134.6 179.7 110.5 94.4 63.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
462 A 462 THR T - 0 0 -148.0 164.3 174.3 -123.6 67.3 159.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
463 A 463 SER S S g > TS+ 0 0 -79.6 -30.6 -175.7 67.8 107.4 37.5 0 0.0 466 -1.7 0 0.0 0 0.0 7 43
464 A 464 ALA A G G > TS+ 0 0 -60.9 -27.4 179.9 75.9 79.8 33.1 0 0.0 467 -2.5 0 0.0 0 0.0 9 47
465 A 465 GLU E G G > TS+ 0 0 -58.7 -18.6 177.6 76.2 78.3 42.6 0 0.0 468 -1.3 0 0.0 0 0.0 11 42
466 A 466 GLU E G G X TS+ 0 0 -59.1 -32.1 179.0 63.8 84.7 35.1 463 -1.7 469 -1.0 0 0.0 0 0.0 10 46
467 A 467 LEU L G G < TS+ 0 0 -61.5 -29.8 -177.1 44.3 105.4 38.9 464 -2.5 0 0.0 0 0.0 0 0.0 9 60
468 A 468 CYS C G G < TS+ 0 0 -101.1 8.8 -179.8 63.5 104.5 68.5 465 -1.3 0 0.0 0 0.0 0 0.0 12 42
469 A 469 SER S S g < TS+ 0 0 -118.1 17.0 179.1 101.6 75.4 82.5 466 -1.0 471 -0.6 0 0.0 0 0.0 9 36
470 A 470 MET M + 0 0 -108.5 110.5 -179.6 140.4 28.1 152.8 0 0.0 0 0.0 0 0.0 0 0.0 11 41
471 A 471 ARG R + 0 0 -127.8 -1.5 179.1 64.4 53.4 57.9 469 -0.6 0 0.0 0 0.0 0 0.0 8 37
472 A 472 THR T S S S- 0 0 -124.9 129.4 177.8 -119.8 79.5 168.3 0 0.0 0 0.0 0 0.0 0 0.0 5 34
473 A 473 PRO P - 0 0 -65.3 152.8 178.6 -146.5 6.2 103.6 0 0.0 0 0.0 0 0.0 0 0.0 9 44
474 A 474 ALA A S S S- 0 0 -84.3 -36.2 178.3 -36.6 75.8 38.8 390 -3.7 0 0.0 0 0.0 0 0.0 9 32
475 A 475 TYR Y E E EO - 390 0 -171.9 -179.9 -177.4 -128.7 62.8 160.9 390 -1.2 390 -2.3 0 0.0 0 0.0 11 34
476 A 476 PHE F E E EOR - 389 483 -136.8 178.8 175.7 -128.6 11.0 137.3 483 -3.4 483 -2.6 0 0.0 0 0.0 13 41
477 A 477 TYR Y E E EOR - 388 482 -132.0 115.0 176.8 -163.5 21.1 172.7 388 -1.8 388 -2.1 0 0.0 479 -0.7 13 36
478 A 478 GLU E E E EOR> TS- 387 481 -103.0 115.2 -178.9 -23.6 80.3 166.8 481 -3.7 481 -2.3 0 0.0 0 0.0 11 30
479 A 479 LYS K T e 3 TS- 0 0 42.4 68.5 178.5 -48.6 128.4 24.1 386 -3.4 481 -1.5 477 -0.7 0 0.0 9 27
480 A 480 GLY G T T 3 TS+ 0 0 65.2 -23.3 -179.8 111.9 118.3 81.6 382 -0.7 0 0.0 0 0.0 0 0.0 9 29
481 A 481 LYS K E E ER < TS- 478 0 -81.0 125.9 178.2 -128.3 70.6 133.2 478 -2.3 478 -3.7 479 -1.5 0 0.0 7 24
482 A 482 ARG R E E ER + 477 0 -75.1 141.6 178.9 168.3 38.4 126.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
483 A 483 VAL V E E ER - 476 0 -146.1 163.5 179.4 -130.7 43.8 160.2 476 -2.6 476 -3.4 0 0.0 0 0.0 8 22
484 A 484 GLU E 0 0 -93.4 -8.3 -179.4 999.9 999.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
485 A 485 LYS K 0 0 -158.5 999.9 999.9 999.9 999.9 69.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
1fecA.pdb
1FEC OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEEEE SHHHHHHHHHHHHHH EEEEES SSSBTTTBS TT HHHHHSHHHHHHHHHHHHHHHHHHHGGGGT GGG HHHHHHHHHH Kabs/Sand
chirality -+-+---+-+-+++++++++++++-+-----+---+-++++-++-+--+++-+-++++++++++++++++++++++-+-+--++++---++++++++++ chirality
bends S S S SSSSSSSSSSSSSSS S SSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>><<< >>>X<<< >>3<< >33< 3-turns
bridge-2 bbbb ccccc bridge-2
bridge-1 a*aaaa bbbb A A bridge-1
sheets AAAAAA AAAAA sheets
4-turns >>>>XXXXXXXX<<<< >444< >>>4<>>XXXXXX<>X<<<< >444< >>>>XXXXXXX 4-turns
summary SEEEEEEe hHHHHHHHHHHHHHHh eEEEEES SSSBTTTBStTThHHHHHhHHHHHHHHHHHHHHHHHHHhGGGgt gGGGg hHHHHHHHHHH summary
sequence SRAYDLVVIGAGSGGLEAGWNAASLHKKRVAVIDLQKHHGPPHYAALGGTCVNVGCVPKKLMVTGANYMDTIRESAGFGWELDRESVRPNWKALIAAKNK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHTSTTEEEEESEEEEEETTEEEEESSSSTTS EEEEEEEEEEEE EEE SBTGGG B HHHHTT SS SEEEEE SSHHHH Kabs/Sand
chirality +++++++++++++++-+++---+--+-+--++-------+-++---+---+-+---++--------+-+++++---++++++-+---++---+-+-++++ chirality
bends SSSSSSSSSSSSSSSSSS S SSSS SSSSSSS S SSSSSS SSSSSS SS SS SSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTT TTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33X>>X<<< >33X33< >33< >33< >3>X3<< >>3<< 3-turns
bridge-2 EEEEE fff iiii bridge-2
bridge-1 ccccc DDDD*D DDDDD E*EEEEa*aaaa GGG b c hhhhh bridge-1
sheets AAAAA AAAAAA AAAAA AAAAAAAAAAAA BBB CCCCC sheets
4-turns XXXXXX<<<< >444< >>4><<4< >>>>X 4-turns
summary HHHHHHHHHHHHHHhtTeEEEEEeEEEEEETeEEEEEeSStTTteEEEEEEEEEEEEe eEEEe tBgGGGgBhHHHHhTtSS eEEEEEeShHHHH summary
sequence AVSGINDSYEGMFADTEGLTFHQGFGALQDNHTVLVRESADPNSAVLETLDTEYILLATGSWPQHLGIEGDDLCITSNEAFYLDEAPKRALCVGGGYISI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHS TT EEEEEESSSSSSTTS HHHHHHHHHHHHHTTEEEEET EEEEEE TTS EEEEETTS EEEESEEEE S EEES TTS GGGGT Kabs/Sand
chirality +++++++++--++-----+-+-+-+-++--+++++++++++++-+----+++--+-+---+-+------+-+-+-+-+---++-----++++-++++-+- chirality
bends SSSSSSSSSS SS SSSSSSSSS SSSSSSSSSSSSSSS SS S SSS SSS S S S SSS SSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33< >33< >33<>>><<< 3-turns
bridge-2 jjjjj b LLLL c bridge-2
bridge-1 hhhhh jjjjj K*KKKK KKKKK LLLL iiii GGG bridge-1
sheets CCCCCC CCCCC DDDDDD DDDDD DDDD CCCC BBB sheets
4-turns XXXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary HHHHHHHHHhtTTtEEEEEESSSSStTTthHHHHHHHHHHHHHheEEEEEeteEEEEEEeTTteEEEEEeTteEEEESEEEEeSeEEEetTTtgGGGGgt summary
sequence EFAGIFNAYKARGGQVDLAYRGDMILRGFDSELRKQLTEQLRANGINVRTHENPAKVTKNADGTRHVVFESGAEADYDVVMLAIGRVPRSQTLQLEKAGV sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand B TTS B TT B SSTTEEE GGGG S HHHHHHHHHHHHHHHHSS SS EEE SS EEEEE HHHHHHH SEEEEEEEEE HHH Kabs/Sand
chirality +--+-+--+--+-+--+-+++-++-++-+--+-++++++++++++++++-+-+----+++-+---+-+---++----+++++++-++----+++---+++ chirality
bends SSS SS SSSS SSSS S SSSSSSSSSSSSSSSSSS SS SS S SSSSSSS S SSS bends
turns TTTT TTTT TTTT TTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >>><<< >33<>33< >>3< 3-turns
bridge-2 E NNNNN PPPPPPPP bridge-2
bridge-1 D D E fff MMM MMM OOOO bridge-1
sheets AAA EEE EEEEE EEEEEEEEE sheets
4-turns >>>>XXXXXXXXXX<<<< >>>>X<<<< >>>> 4-turns
summary BtTTt B tTTtB StTeEEEeGGGGgS hHHHHHHHHHHHHHHHHhS SS EEE SSeEEEEEehHHHHHHHheEEEEEEEEE hHHH summary
sequence EVAKNGAIKVDAYSKTNVDNIYAIGDVTDRVMLTPVAINEGAAFVDTVFANKPRATDHTKVACAVFSIPPMGVCGYVEEDAAKKYDQVAVYESSFTPLMH sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHS TT EEEEEEEETTT BEEEEEEESTTHHHHHHHHHHHHHTT BHHHHHTS SS SGGGGGS S SEEEETTEEE Kabs/Sand
chirality ++-+++++---+--+--++-+-++----+-+++++++++++++++----++++++----++-+++++++++--------+-+- chirality
bends SSSS SSS SSSSSSSSSSSSSSSSS SSSSSSS SS SSSSSSS S S SSSS bends
turns TTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns < >33< >33< >3><3<>33< >33< >>3>>X<<< >33< 3-turns
bridge-2 QQQQQQ Q*QQQQQ RRR bridge-2
bridge-1 PPPPPPPP F NNNNN F OOOO RRR bridge-1
sheets EEEEEEEE EEEEEEE EEEE EEE sheets
4-turns <<<< >444< >>>4XXX>XXX<<<< >>>4<<< 4-turns
summary HHHhtTTt EEEEEEEEeTTteEEEEEEEeThHHHHHHHHHHHHHhTthHHHHHht SS gGGGGGg S SEEEEeTEEE summary
sequence NISGSTYKKFMVRIVTNHADGEVLGVHMLGDSSPEIIQSVAICLKMGAKISDFYNTIGVHPTSAEELCSMRTPAYFYEKGKRVEK sequence
410 420 430 440 450 460 470 480