Secondary structure calculation program - copyright by David Keith Smith, 1989
1qs1A.pdb
1QS1 TOXIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 402
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 60 THR T 0 0 999.9 112.7 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 14
2 A 61 ASP D - 0 0 -60.8 156.9 178.8 -89.0 999.9 96.1 0 0.0 0 0.0 0 0.0 0 0.0 3 20
3 A 62 LYS K + 0 0 -69.3 121.1 -179.4 169.3 58.9 123.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
4 A 63 VAL V - 0 0 -141.4 136.5 178.8 -133.4 29.7 177.8 0 0.0 0 0.0 0 0.0 0 0.0 9 31
5 A 64 GLU E B B a + 83 0 -84.1 150.7 177.8 173.5 23.8 124.7 82 -2.2 84 -2.4 0 0.0 0 0.0 8 38
6 A 65 ASP D - 0 0 -160.1 99.1 -178.2 -176.5 13.1 133.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
7 A 66 PHE F t > T - 0 0 -77.5 -7.2 179.2 -170.0 18.7 56.6 133 -0.6 10 -2.6 0 0.0 0 0.0 11 35
8 A 67 LYS K T T 3 TS- 0 0 56.5 -106.9 -179.7 -16.8 71.2 110.5 0 0.0 135 -2.8 0 0.0 0 0.0 7 35
9 A 68 GLU E T T 3 TS+ 0 0 -111.7 6.4 -178.4 112.9 104.1 69.7 0 0.0 11 -1.3 0 0.0 0 0.0 6 28
10 A 69 ASP D h > < T + 0 0 -84.4 90.6 -179.7 174.3 35.0 129.3 7 -2.6 14 -1.8 0 0.0 0 0.0 8 25
11 A 70 LYS K H H > TS+ 0 0 -64.3 -33.7 -179.0 57.3 75.8 34.1 9 -1.3 15 -2.6 0 0.0 0 0.0 9 29
12 A 71 GLU E H H > TS+ 0 0 -65.9 -44.6 179.5 42.1 109.4 23.8 0 0.0 16 -1.6 0 0.0 0 0.0 6 23
13 A 72 LYS K H H > TS+ 0 0 -69.9 -34.9 179.8 51.6 116.2 29.0 0 0.0 17 -1.8 0 0.0 0 0.0 8 26
14 A 73 ALA A H H X TS+ 0 0 -68.0 -38.9 179.8 53.8 106.0 27.9 10 -1.8 18 -3.0 0 0.0 0 0.0 11 38
15 A 74 LYS K H H X TS+ 0 0 -62.9 -41.6 179.1 51.2 107.4 26.2 11 -2.6 19 -3.0 0 0.0 0 0.0 10 35
16 A 75 GLU E H H X TS+ 0 0 -61.4 -45.4 179.2 45.1 113.0 21.7 12 -1.6 20 -1.4 0 0.0 0 0.0 8 32
17 A 76 TRP W H H X TS+ 0 0 -63.4 -45.0 -179.5 49.8 114.5 21.3 13 -1.8 21 -1.9 0 0.0 0 0.0 8 39
18 A 77 GLY G H H X TS+ 0 0 -60.4 -45.4 -179.6 58.3 103.7 23.3 14 -3.0 22 -2.5 0 0.0 0 0.0 12 46
19 A 78 LYS K H H X TS+ 0 0 -52.7 -42.0 -179.1 41.6 111.9 28.7 15 -3.0 23 -0.7 0 0.0 0 0.0 9 32
20 A 79 GLU E H H X TS+ 0 0 -79.2 -31.5 -179.8 49.0 114.4 34.3 16 -1.4 24 -0.5 0 0.0 0 0.0 8 30
21 A 80 LYS K H H X > TS+ 0 0 -77.5 -28.3 179.8 65.9 100.6 34.9 17 -1.9 24 -0.9 0 0.0 25 -0.6 12 43
22 A 81 GLU E H H X > TS+ 0 0 -59.3 -34.4 -179.4 56.7 97.1 31.5 18 -2.5 25 -0.7 0 0.0 26 -0.7 13 46
23 A 82 LYS K H H < 3 TS+ 0 0 -69.0 -27.4 -177.4 65.5 96.2 38.2 19 -0.7 0 0.0 0 0.0 0 0.0 7 33
24 A 83 GLU E H H < < TS+ 0 0 -72.1 -21.8 179.1 60.5 90.2 45.3 21 -0.9 0 0.0 20 -0.5 0 0.0 9 39
25 A 84 TRP W H H < < TS- 0 0 -71.9 -34.7 178.9 -156.4 88.2 28.7 22 -0.7 0 0.0 21 -0.6 0 0.0 12 43
26 A 85 LYS K h < T + 0 0 62.1 41.9 178.4 174.1 21.4 28.2 22 -0.7 0 0.0 0 0.0 0 0.0 7 33
27 A 86 LEU L - 0 0 -76.2 147.2 178.4 -118.2 31.0 121.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
28 A 87 THR T h > T - 0 0 -77.1 171.9 179.5 -103.8 28.7 106.9 0 0.0 32 -2.5 0 0.0 0 0.0 6 26
29 A 88 ALA A H H > TS+ 0 0 -65.8 -33.0 179.4 51.7 124.1 31.6 0 0.0 33 -1.7 0 0.0 0 0.0 6 21
30 A 89 THR T H H > TS+ 0 0 -67.7 -46.0 179.4 48.5 110.0 21.1 0 0.0 34 -1.9 0 0.0 0 0.0 7 23
31 A 90 GLU E H H > TS+ 0 0 -60.1 -46.3 178.9 51.3 109.8 22.2 0 0.0 35 -2.4 0 0.0 0 0.0 11 36
32 A 91 LYS K H H X TS+ 0 0 -58.9 -38.6 179.7 55.2 107.8 26.5 28 -2.5 36 -2.6 0 0.0 0 0.0 10 42
33 A 92 GLY G H H X TS+ 0 0 -61.2 -43.7 -179.8 44.6 109.3 24.7 29 -1.7 37 -2.1 0 0.0 0 0.0 8 29
34 A 93 LYS K H H X TS+ 0 0 -69.3 -38.8 -179.9 50.2 113.6 28.0 30 -1.9 38 -1.8 0 0.0 0 0.0 10 38
35 A 94 MET M H H X TS+ 0 0 -66.6 -42.5 178.9 45.9 113.1 24.5 31 -2.4 39 -2.4 0 0.0 0 0.0 9 55
36 A 95 ASN N H H X TS+ 0 0 -67.9 -35.9 178.2 56.6 108.2 28.5 32 -2.6 40 -2.2 0 0.0 0 0.0 9 42
37 A 96 ASN N H H < >TS+ 0 0 -61.2 -37.2 179.1 47.3 109.6 27.0 33 -2.1 42 -2.7 0 0.0 0 0.0 9 38
38 A 97 PHE F H H < >5TS+ 0 0 -67.6 -52.3 -180.0 47.7 111.8 15.4 34 -1.8 41 -2.0 0 0.0 0 0.0 10 44
39 A 98 LEU L H H < 35TS+ 0 0 -59.1 -29.3 179.9 51.2 112.2 36.4 35 -2.4 0 0.0 0 0.0 0 0.0 9 44
40 A 99 ASP D T h < 35TS- 0 0 -90.6 6.8 178.5 -121.9 111.9 70.0 36 -2.2 0 0.0 0 0.0 0 0.0 7 33
41 A 100 ASN N T g X5T - 0 0 56.9 39.7 178.6 -170.7 37.6 32.7 38 -2.0 44 -2.0 0 0.0 0 0.0 10 28
42 A 101 LYS K G G > < TS+ 0 0 56.4 26.6 -179.5 143.7 90.1 44.9 41 -2.0 48 -2.4 0 0.0 0 0.0 7 26
45 A 104 ILE I H H > < TS+ 0 0 -64.0 -30.8 -179.3 46.7 73.1 33.1 42 -1.6 49 -0.6 0 0.0 0 0.0 10 37
46 A 105 LYS K H H 4 TS+ 0 0 -78.4 -39.2 177.9 48.7 112.5 26.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
47 A 106 THR T H H 4 TS+ 0 0 -65.3 -37.5 -179.2 41.5 118.2 29.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
48 A 107 ASN N H H X TS+ 0 0 -88.3 -6.7 -176.9 98.7 87.6 58.1 44 -2.4 52 -2.8 0 0.0 0 0.0 8 39
49 A 108 TYR Y H H X TS+ 0 0 -50.5 -51.1 -178.6 49.7 80.3 28.1 45 -0.6 53 -2.4 0 0.0 0 0.0 9 51
50 A 109 LYS K H H > TS+ 0 0 -57.7 -47.6 178.0 44.9 114.6 19.2 0 0.0 54 -0.7 0 0.0 0 0.0 10 56
51 A 110 GLU E H H 4 > TS+ 0 0 -59.9 -45.3 179.6 56.7 110.0 21.2 0 0.0 54 -1.5 0 0.0 0 0.0 10 50
52 A 111 ILE I H H < > TS+ 0 0 -52.7 -46.0 -178.8 54.5 102.4 24.7 48 -2.8 55 -1.9 0 0.0 0 0.0 9 52
53 A 112 THR T H H < 3 TS+ 0 0 -65.8 -15.9 178.1 41.8 113.8 47.2 49 -2.4 0 0.0 0 0.0 0 0.0 10 63
54 A 113 PHE F T h < < TS+ 0 0 -115.2 23.4 -178.8 115.8 97.0 86.9 51 -1.5 0 0.0 50 -0.7 0 0.0 12 63
55 A 114 SER S t < T - 0 0 -94.0 165.9 179.4 -101.1 69.4 116.0 52 -1.9 334 -1.7 0 0.0 0 0.0 12 51
56 A 115 MET M B B b > T - 334 0 -81.9 148.7 -180.0 -83.5 53.8 122.8 0 0.0 59 -2.1 0 0.0 0 0.0 10 38
57 A 116 ALA A T T 3 TS+ 0 0 -52.6 132.2 179.9 31.8 117.0 104.0 334 -0.5 0 0.0 0 0.0 0 0.0 7 33
58 A 117 GLY G T T > TS+ 0 0 105.9 -22.5 179.4 120.5 88.8 84.0 0 0.0 61 -0.7 0 0.0 0 0.0 5 27
59 A 118 SER S T T < TS+ 0 0 -76.6 148.5 179.3 2.5 81.0 118.6 56 -2.1 0 0.0 0 0.0 0 0.0 7 33
60 A 119 PHE F T h > 3 TS+ 0 0 45.7 49.0 -177.1 167.0 77.0 29.5 0 0.0 64 -2.2 0 0.0 0 0.0 7 32
61 A 120 GLU E H H > < T + 0 0 -68.0 -27.1 177.9 54.3 69.1 33.6 58 -0.7 65 -1.4 0 0.0 0 0.0 7 28
62 A 121 ASP D H H > TS+ 0 0 -68.0 -41.7 180.0 45.8 111.8 21.2 0 0.0 66 -1.1 0 0.0 0 0.0 6 29
63 A 122 GLU E H H > TS+ 0 0 -65.9 -39.5 179.5 59.3 106.7 27.6 0 0.0 67 -2.4 0 0.0 0 0.0 8 40
64 A 123 ILE I H H X TS+ 0 0 -58.4 -37.9 179.1 58.4 98.5 30.4 60 -2.2 68 -2.2 0 0.0 0 0.0 9 42
65 A 124 LYS K H H X TS+ 0 0 -58.8 -43.2 178.6 43.0 110.5 22.2 61 -1.4 69 -1.3 0 0.0 0 0.0 8 35
66 A 125 ASP D H H X TS+ 0 0 -68.1 -41.1 -179.5 53.5 111.9 26.5 62 -1.1 70 -2.1 0 0.0 0 0.0 9 39
67 A 126 LEU L H H X TS+ 0 0 -66.0 -28.8 178.4 57.2 103.6 35.6 63 -2.4 71 -2.2 0 0.0 0 0.0 9 55
68 A 127 LYS K H H X TS+ 0 0 -67.5 -40.6 180.0 45.1 109.2 24.4 64 -2.2 72 -1.6 0 0.0 0 0.0 10 41
69 A 128 GLU E H H X TS+ 0 0 -69.6 -38.9 179.6 52.2 111.8 27.6 65 -1.3 73 -1.2 0 0.0 0 0.0 9 36
70 A 129 ILE I H H X > TS+ 0 0 -63.7 -43.2 178.6 53.5 106.4 23.5 66 -2.1 74 -1.0 0 0.0 73 -0.5 11 55
71 A 130 ASP D H H < > TS+ 0 0 -57.5 -43.5 179.8 52.0 107.6 22.9 67 -2.2 74 -0.8 0 0.0 0 0.0 8 48
72 A 131 LYS K H H < > TS+ 0 0 -65.6 -26.0 -179.8 67.4 97.4 39.0 68 -1.6 75 -1.4 0 0.0 0 0.0 8 41
73 A 132 MET M H H < X TS+ 0 0 -64.6 -32.4 -179.7 62.7 90.7 32.2 69 -1.2 76 -1.8 70 -0.5 0 0.0 10 46
74 A 133 PHE F G h < X TS+ 0 0 -70.5 -8.3 177.2 63.7 92.4 52.7 70 -1.0 77 -0.5 71 -0.8 0 0.0 11 49
75 A 134 ASP D G G < TS+ 0 0 -87.8 -4.5 -179.5 59.4 97.6 60.1 72 -1.4 0 0.0 0 0.0 0 0.0 7 35
76 A 135 LYS K G G < TS+ 0 0 -103.3 5.1 -179.0 123.9 80.3 71.5 73 -1.8 0 0.0 0 0.0 0 0.0 9 35
77 A 136 THR T g < T + 0 0 -69.1 155.0 178.9 174.9 31.2 104.0 74 -0.5 0 0.0 0 0.0 0 0.0 12 46
78 A 137 ASN N - 0 0 -160.1 74.4 -179.2 -168.5 10.7 116.7 0 0.0 80 -0.5 0 0.0 0 0.0 11 40
79 A 138 LEU L - 0 0 -73.4 118.1 -177.5 -170.2 1.6 125.7 160 -0.6 0 0.0 0 0.0 0 0.0 15 51
80 A 139 SER S + 0 0 -83.9 -25.2 179.1 26.3 64.0 41.6 78 -0.5 0 0.0 0 0.0 0 0.0 7 37
81 A 140 ASN N S S S- 0 0 -142.2 149.6 179.0 -117.1 74.4 172.7 0 0.0 0 0.0 0 0.0 0 0.0 9 42
82 A 141 SER S + 0 0 -78.9 149.4 -178.5 174.5 40.1 121.6 0 0.0 5 -2.2 0 0.0 0 0.0 13 50
83 A 142 ILE I E E AAa - 150 5 -156.6 154.2 177.5 -117.0 34.6 173.9 150 -1.7 150 -2.9 0 0.0 85 -0.5 11 58
84 A 143 ILE I E E AA - 149 0 -94.0 128.4 -180.0 -168.3 37.4 147.1 5 -2.4 0 0.0 0 0.0 0 0.0 13 60
85 A 144 THR T E E AA - 148 0 -117.0 164.9 -176.4 -139.3 7.8 139.3 148 -2.7 148 -1.8 83 -0.5 0 0.0 16 58
86 A 145 TYR Y E E AAC + 147 132 -130.0 144.1 176.7 165.2 21.3 163.0 132 -2.5 132 -3.1 0 0.0 0 0.0 14 54
87 A 146 LYS K E E AA - 146 0 -156.1 125.8 178.4 -149.9 21.0 155.1 146 -1.7 146 -3.2 0 0.0 0 0.0 12 54
88 A 147 ASN N E E AA - 145 0 -97.1 131.9 -179.0 -179.3 26.2 146.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48
89 A 148 VAL V E E AA - 144 0 -133.8 157.2 178.3 -109.8 33.4 157.2 144 -3.0 144 -2.2 0 0.0 0 0.0 12 45
90 A 149 GLU E g > T - 0 0 -79.1 137.0 -179.1 -118.6 39.9 130.1 0 0.0 93 -1.7 0 0.0 0 0.0 10 36
91 A 150 PRO P G G >>TS+ 0 0 -48.0 -40.6 -178.9 58.5 108.8 36.1 0 0.0 96 -2.3 0 0.0 94 -1.4 12 47
92 A 151 THR T G G >5TS+ 0 0 -66.0 -22.0 -179.9 70.6 92.1 38.1 0 0.0 95 -1.6 0 0.0 0 0.0 8 43
93 A 152 THR T G G <5TS+ 0 0 -65.0 -24.5 177.8 37.7 106.7 38.7 90 -1.7 0 0.0 0 0.0 0 0.0 7 46
94 A 153 ILE I G G <5TS- 0 0 -110.6 20.5 177.9 -95.6 127.3 83.5 91 -1.4 0 0.0 0 0.0 0 0.0 11 56
95 A 154 GLY G T g <5TS+ 0 0 80.4 16.3 176.3 138.3 77.0 46.8 92 -1.6 97 -0.9 0 0.0 0 0.0 9 55
96 A 155 PHE F t TS- 105 0 -138.9 85.3 -177.5 -62.3 76.7 143.7 105 -2.5 105 -1.6 0 0.0 0 0.0 7 27
103 A 162 GLY G T T 3 TS- 0 0 67.0 -133.4 -179.4 -13.5 119.3 119.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
104 A 163 ASN N T T 3 TS+ 0 0 -84.7 10.4 179.4 79.3 125.4 72.3 0 0.0 195 -3.0 0 0.0 0 0.0 8 28
105 A 164 THR T E E BB < TS- 102 0 -117.6 157.5 179.4 -120.8 77.1 145.9 102 -1.6 102 -2.5 0 0.0 0 0.0 9 31
106 A 165 ILE I E E BB - 101 0 -99.1 130.7 178.9 -110.4 33.0 146.3 0 0.0 0 0.0 0 0.0 0 0.0 13 39
107 A 166 ASN N h > T - 0 0 -57.6 128.5 -179.6 -138.2 22.3 111.0 100 -2.1 111 -1.6 0 0.0 0 0.0 10 31
108 A 167 SER S H H > TS+ 0 0 -56.3 -46.8 179.5 45.5 105.3 24.3 0 0.0 112 -1.2 0 0.0 0 0.0 6 25
109 A 168 ASP D H H > TS+ 0 0 -67.8 -27.7 -179.5 66.3 104.9 37.0 0 0.0 113 -2.1 0 0.0 0 0.0 6 23
110 A 169 ALA A H H > TS+ 0 0 -60.7 -47.5 179.5 49.8 98.0 23.8 0 0.0 114 -2.9 0 0.0 0 0.0 12 35
111 A 170 MET M H H X TS+ 0 0 -58.9 -44.3 -179.9 52.8 108.9 24.0 107 -1.6 115 -3.1 0 0.0 0 0.0 11 36
112 A 171 ALA A H H X TS+ 0 0 -57.5 -47.4 179.1 43.7 113.0 21.3 108 -1.2 116 -2.1 0 0.0 0 0.0 8 29
113 A 172 GLN Q H H X TS+ 0 0 -63.9 -41.5 -179.2 52.1 113.7 24.7 109 -2.1 117 -1.8 0 0.0 0 0.0 8 38
114 A 173 PHE F H H X TS+ 0 0 -61.9 -46.1 179.5 45.9 111.0 23.5 110 -2.9 118 -2.4 0 0.0 0 0.0 10 50
115 A 174 LYS K H H X TS+ 0 0 -64.9 -41.2 -179.5 52.7 110.6 26.5 111 -3.1 119 -2.0 0 0.0 0 0.0 9 45
116 A 175 GLU E H H < TS+ 0 0 -64.7 -32.4 -180.0 42.8 115.2 30.6 112 -2.1 0 0.0 0 0.0 0 0.0 7 36
117 A 176 GLN Q H H < TS+ 0 0 -82.1 -34.5 -176.6 18.4 130.3 30.7 113 -1.8 0 0.0 0 0.0 0 0.0 10 51
118 A 177 PHE F H H < > TS+ 0 0 -112.9 -25.0 -177.5 111.2 84.0 43.9 114 -2.4 121 -2.1 0 0.0 0 0.0 11 52
119 A 178 LEU L T h < 3 TS+ 0 0 -60.1 131.4 179.4 1.6 96.5 107.9 115 -2.0 0 0.0 0 0.0 0 0.0 11 40
120 A 179 ASP D T T 3 TS+ 0 0 69.7 12.9 178.1 103.6 113.3 54.0 183 -1.7 0 0.0 0 0.0 0 0.0 8 34
121 A 180 ARG R S e < TS- 0 0 -118.2 173.2 -179.4 -106.1 72.7 132.7 118 -2.1 183 -3.1 0 0.0 0 0.0 9 49
122 A 181 ASP D E E AC - 182 0 -103.3 138.9 178.3 -144.7 20.9 146.8 0 0.0 124 -0.6 0 0.0 0 0.0 10 59
123 A 182 ILE I E E AC - 181 0 -105.3 119.7 178.9 -157.6 10.4 155.2 181 -2.5 181 -1.9 0 0.0 125 -0.5 10 71
124 A 183 LYS K - 0 0 -96.4 126.2 179.9 -151.5 12.1 147.8 122 -0.6 0 0.0 0 0.0 0 0.0 9 67
125 A 184 PHE F - 0 0 -95.7 164.0 -178.3 -133.4 15.6 124.0 123 -0.5 0 0.0 0 0.0 0 0.0 9 64
126 A 185 ASP D S S S+ 0 0 -90.2 -15.2 -177.4 15.1 83.4 51.6 0 0.0 0 0.0 0 0.0 0 0.0 6 61
127 A 186 SER S S S S- 0 0 -149.3 175.6 179.7 -50.3 103.4 153.5 0 0.0 0 0.0 0 0.0 0 0.0 7 56
128 A 187 TYR Y - 0 0 -53.1 134.2 -179.6 -122.7 57.4 103.3 0 0.0 130 -0.9 0 0.0 0 0.0 9 62
129 A 188 LEU L E E CD - 175 0 -87.7 108.5 179.2 -169.0 27.5 137.8 175 -1.2 175 -1.8 0 0.0 131 -0.7 9 61
130 A 189 ASP D E E CD + 174 0 -100.4 110.1 -177.8 177.5 14.6 150.0 128 -0.9 0 0.0 0 0.0 0 0.0 9 58
131 A 190 THR T E E CD - 173 0 -114.8 164.1 -177.9 -120.3 23.1 134.2 173 -2.7 173 -2.6 129 -0.7 0 0.0 10 62
132 A 191 HIS H E E CDC - 172 86 -100.7 158.4 -178.3 -131.2 14.2 128.9 86 -3.1 86 -2.5 0 0.0 0 0.0 12 56
133 A 192 LEU L S e S+ 0 0 -87.7 -4.2 178.1 35.6 90.8 59.4 171 -0.6 7 -0.6 0 0.0 0 0.0 16 57
134 A 193 THR T S S S- 0 0 -144.1 158.1 178.8 -77.4 101.1 165.3 0 0.0 0 0.0 0 0.0 0 0.0 13 41
135 A 194 ALA A - 0 0 -56.1 136.4 -177.7 -134.3 52.3 106.5 8 -2.8 0 0.0 0 0.0 0 0.0 10 48
136 A 195 GLN Q - 0 0 -101.2 147.5 178.8 -100.4 18.2 133.7 0 0.0 0 0.0 0 0.0 0 0.0 8 46
137 A 196 GLN Q - 0 0 -62.2 140.0 -179.0 -115.9 44.2 111.7 0 0.0 0 0.0 0 0.0 0 0.0 4 37
138 A 197 VAL V - 0 0 -83.8 134.6 177.9 -161.2 27.7 127.5 0 0.0 0 0.0 0 0.0 0 0.0 9 37
139 A 198 SER S - 0 0 -98.5 -171.7 -179.3 -93.4 37.0 109.0 142 -0.5 0 0.0 0 0.0 0 0.0 6 29
140 A 199 SER S S S S+ 0 0 -73.1 -40.8 -177.6 22.6 117.6 26.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
141 A 200 LYS K S S S+ 0 0 -101.0 -27.2 179.7 78.3 102.4 43.1 0 0.0 143 -2.1 0 0.0 0 0.0 6 36
142 A 201 GLU E + 0 0 -84.8 74.8 -176.4 146.3 56.3 121.7 0 0.0 139 -0.5 0 0.0 0 0.0 11 42
143 A 202 ARG R e + 0 0 -96.3 5.3 177.2 88.0 38.0 72.9 141 -2.1 197 -2.1 0 0.0 145 -0.6 14 51
144 A 203 VAL V E E AAe - 89 197 -106.9 118.5 -179.4 -153.9 65.3 159.7 89 -2.2 89 -3.0 0 0.0 146 -0.6 12 62
145 A 204 ILE I E E AAe - 88 198 -97.2 120.3 178.9 -156.8 1.8 147.2 197 -2.8 199 -3.1 143 -0.6 147 -0.7 13 62
146 A 205 LEU L E E AAe - 87 199 -98.5 113.1 179.0 -175.6 9.4 149.5 87 -3.2 87 -1.7 144 -0.6 148 -0.8 13 65
147 A 206 LYS K E E AAe - 86 200 -109.2 93.8 -175.1 -174.0 19.0 151.2 199 -3.1 201 -2.0 145 -0.7 149 -0.5 12 57
148 A 207 VAL V E E AAe - 85 201 -103.7 122.2 177.5 -143.1 22.6 145.6 85 -1.8 85 -2.7 146 -0.8 150 -0.5 13 59
149 A 208 THR T E E AAe - 84 202 -80.3 122.7 179.7 -161.9 15.0 132.3 201 -3.0 203 -1.8 147 -0.5 0 0.0 12 56
150 A 209 VAL V E E AA - 83 0 -108.2 99.0 179.6 -153.9 8.2 152.6 83 -2.9 83 -1.7 148 -0.5 0 0.0 10 61
151 A 210 PRO P - 0 0 -71.6 147.9 179.6 -144.4 9.7 117.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
152 A 211 SER S - 0 0 -79.1 -37.3 -178.1 -152.2 13.2 30.2 0 0.0 160 -2.3 0 0.0 0 0.0 11 45
153 A 212 GLY G t > T + 0 0 71.2 15.1 -178.9 157.3 37.7 48.4 0 0.0 156 -2.0 0 0.0 0 0.0 10 33
154 A 213 LYS K T T 3 T + 0 0 -38.4 -59.6 -179.0 35.0 66.5 34.2 0 0.0 0 0.0 0 0.0 0 0.0 9 25
155 A 214 GLY G T T 3 TS+ 0 0 -94.0 34.0 -179.2 89.7 106.8 91.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
156 A 215 SER S S t < TS- 0 0 -121.2 176.6 179.8 -110.8 85.7 131.7 153 -2.0 0 0.0 0 0.0 0 0.0 6 17
157 A 216 THR T S S S+ 0 0 -82.0 -12.2 -179.7 51.8 111.6 52.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
158 A 217 THR T S S S- 0 0 -126.0 73.1 179.5 -168.3 75.0 127.8 0 0.0 0 0.0 0 0.0 0 0.0 5 31
159 A 218 PRO P - 0 0 -58.9 145.9 -178.4 -95.0 38.8 106.8 0 0.0 0 0.0 0 0.0 0 0.0 11 34
160 A 219 THR T - 0 0 -69.2 126.6 178.3 -135.3 25.3 117.2 152 -2.3 162 -1.9 0 0.0 79 -0.6 11 48
161 A 220 LYS K e + 0 0 -82.8 79.4 179.8 108.1 66.9 125.0 0 0.0 176 -2.4 0 0.0 0 0.0 11 55
162 A 221 ALA A E E CF + 175 0 -148.7 155.2 179.7 176.1 40.2 166.2 160 -1.9 0 0.0 0 0.0 0 0.0 12 64
163 A 222 GLY G E E CF - 174 0 -161.5 162.3 -179.7 -100.4 30.9 174.7 174 -2.4 174 -3.1 0 0.0 0 0.0 14 63
164 A 223 VAL V E E CF - 173 0 -91.8 136.5 179.0 -179.2 35.9 134.8 0 0.0 0 0.0 0 0.0 0 0.0 12 61
165 A 224 ILE I E E CF - 172 0 -132.9 149.2 178.1 -124.4 29.0 164.8 172 -2.6 172 -2.9 0 0.0 167 -0.8 10 56
166 A 225 LEU L E E CF + 171 0 -94.4 112.8 -179.9 158.8 44.6 147.7 0 0.0 0 0.0 0 0.0 0 0.0 9 45
167 A 226 ASN N E E CF > T - 170 0 -141.2 132.7 179.6 -3.2 60.6 174.1 170 -2.9 170 -1.0 165 -0.8 0 0.0 9 36
168 A 227 ASN N T T 3 TS- 0 0 58.2 38.9 178.7 -56.3 128.9 30.2 0 0.0 0 0.0 0 0.0 0 0.0 4 29
169 A 228 SER S T T 3 TS+ 0 0 68.6 22.2 -179.2 98.2 121.1 44.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
170 A 229 GLU E E E C F< TS- 0 167 -143.3 142.8 177.8 -122.9 74.0 177.7 167 -1.0 167 -2.9 0 0.0 172 -0.5 7 38
171 A 230 TYR Y E E C F + 0 166 -84.5 124.1 -179.1 177.5 40.9 138.7 0 0.0 133 -0.6 0 0.0 0 0.0 14 48
172 A 231 LYS K E E CDF - 132 165 -129.6 155.3 179.4 -117.4 30.9 156.2 165 -2.9 165 -2.6 170 -0.5 174 -0.5 13 59
173 A 232 MET M E E CDF - 131 164 -93.9 125.8 178.5 -161.3 24.7 143.3 131 -2.6 131 -2.7 0 0.0 175 -0.5 13 70
174 A 233 LEU L E E CDF - 130 163 -108.6 126.7 -178.8 -164.7 7.2 160.4 163 -3.1 163 -2.4 172 -0.5 0 0.0 12 68
175 A 234 ILE I E E CDF - 129 162 -115.4 134.8 -179.5 -114.5 20.4 158.1 129 -1.8 129 -1.2 173 -0.5 0 0.0 11 67
176 A 235 ASP D e - 0 0 -62.0 161.4 178.7 -110.4 27.2 95.4 161 -2.4 0 0.0 0 0.0 0 0.0 10 57
177 A 236 ASN N S S S+ 0 0 -65.0 -18.4 -178.4 83.5 104.6 49.4 0 0.0 0 0.0 0 0.0 0 0.0 12 56
178 A 237 GLY G S e S+ 0 0 -79.9 32.4 179.2 78.6 80.5 89.5 0 0.0 206 -2.3 0 0.0 0 0.0 8 59
179 A 238 TYR Y E E A G - 0 205 -143.5 140.6 177.2 -167.1 54.7 178.3 0 0.0 0 0.0 0 0.0 0 0.0 12 55
180 A 239 MET M E E A G - 0 204 -114.8 165.3 178.1 -115.5 29.3 135.9 204 -2.8 204 -2.6 0 0.0 182 -0.6 13 60
181 A 240 VAL V E E ACG - 123 203 -107.6 114.9 178.3 -148.5 22.6 159.6 123 -1.9 123 -2.5 0 0.0 183 -0.5 12 62
182 A 241 HIS H E E ACG - 122 202 -82.0 124.3 -178.3 -128.4 20.3 137.9 202 -2.9 202 -1.6 180 -0.6 184 -0.8 12 43
183 A 242 VAL V E E A G + 0 201 -82.1 110.5 -179.1 169.1 35.0 130.8 121 -3.1 120 -1.7 181 -0.5 0 0.0 15 43
184 A 243 ASP D E E A * + 0 0 -87.2 -34.4 -178.0 2.5 65.8 38.0 200 -2.3 0 0.0 182 -0.8 0 0.0 10 32
185 A 244 LYS K E E A G - 0 200 -156.8 149.2 178.2 -159.5 52.6 174.5 200 -1.7 200 -2.5 0 0.0 0 0.0 9 34
186 A 245 VAL V E E A G + 0 199 -132.6 127.3 -180.0 156.2 25.8 175.9 0 0.0 0 0.0 0 0.0 0 0.0 11 42
187 A 246 SER S E E A G - 0 198 -148.9 158.9 178.3 -109.9 41.6 169.2 198 -1.9 198 -3.4 0 0.0 0 0.0 7 38
188 A 247 LYS K E E A G + 0 197 -91.4 130.8 178.6 178.1 39.2 141.6 0 0.0 0 0.0 0 0.0 0 0.0 8 38
189 A 248 VAL V E E A G - 0 196 -127.3 163.8 -179.8 -133.5 21.3 149.6 196 -2.6 196 -2.8 0 0.0 0 0.0 8 34
190 A 249 VAL V E E A G - 0 195 -125.3 128.0 -179.8 -177.0 16.8 168.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
191 A 250 LYS K E E A G> TS- 0 194 -125.5 113.1 -179.1 -20.3 78.7 164.4 194 -2.6 194 -1.6 0 0.0 0 0.0 8 30
192 A 251 LYS K T T 3 TS- 0 0 57.7 38.7 179.9 -51.8 129.0 28.0 0 0.0 0 0.0 0 0.0 0 0.0 4 21
193 A 252 GLY G T T 3 TS+ 0 0 78.0 3.2 179.9 120.3 114.9 59.8 0 0.0 195 -0.6 0 0.0 0 0.0 6 20
194 A 253 VAL V E E A G< T - 0 191 -106.4 120.9 -179.1 -136.2 59.3 153.9 191 -1.6 191 -2.6 0 0.0 0 0.0 9 30
195 A 254 GLU E E E A G + 0 190 -77.6 133.3 179.2 170.1 30.2 124.3 104 -3.0 0 0.0 193 -0.6 0 0.0 12 38
196 A 255 CYS C E E A G - 0 189 -134.6 164.9 177.3 -115.3 34.6 151.8 189 -2.8 189 -2.6 0 0.0 198 -0.5 13 51
197 A 256 LEU L E E AeG - 144 188 -106.1 127.0 -179.3 -152.2 29.0 157.5 143 -2.1 145 -2.8 0 0.0 199 -0.5 13 63
198 A 257 GLN Q E E AeG - 145 187 -106.1 124.6 177.8 -163.2 6.4 152.1 187 -3.4 187 -1.9 196 -0.5 200 -0.5 12 56
199 A 258 ILE I E E AeG - 146 186 -103.1 124.0 176.6 -164.0 2.5 155.5 145 -3.1 147 -3.1 197 -0.5 201 -0.6 14 57
200 A 259 GLU E E E AeG + 147 185 -108.2 119.5 -179.2 153.1 28.3 162.8 185 -2.5 184 -2.3 198 -0.5 185 -1.7 12 46
201 A 260 GLY G E E AeG - 148 183 -141.6 174.6 -179.1 -134.9 35.9 152.4 147 -2.0 149 -3.0 199 -0.6 0 0.0 13 46
202 A 261 THR T E E AeG - 149 182 -132.6 145.0 179.9 -97.1 35.9 165.8 182 -1.6 182 -2.9 0 0.0 0 0.0 12 53
203 A 262 LEU L E E A G - 0 181 -64.3 140.6 178.9 -167.1 34.9 111.1 149 -1.8 0 0.0 0 0.0 0 0.0 12 55
204 A 263 LYS K E E A G - 0 180 -131.1 123.2 -178.0 -123.3 20.9 175.1 180 -2.6 180 -2.8 0 0.0 0 0.0 9 46
205 A 264 LYS K E E A G + 0 179 -72.8 138.5 177.3 158.7 37.6 114.4 0 0.0 0 0.0 0 0.0 0 0.0 8 51
206 A 265 SER S e - 0 0 -158.1 112.2 -179.3 -123.2 38.9 143.7 178 -2.3 0 0.0 0 0.0 0 0.0 12 54
207 A 266 LEU L B B d - 286 0 -61.2 134.1 178.9 -179.9 30.7 110.7 285 -2.3 287 -2.0 0 0.0 0 0.0 10 61
208 A 267 ASP D - 0 0 -140.5 105.7 -179.1 -178.8 16.8 151.3 0 0.0 0 0.0 0 0.0 0 0.0 10 63
209 A 268 PHE F t > T - 0 0 -81.9 -2.2 -179.5 -167.3 21.6 60.0 0 0.0 212 -3.0 0 0.0 0 0.0 11 62
210 A 269 LYS K T T 3 TS- 0 0 49.8 -132.5 179.8 -17.0 73.8 103.9 0 0.0 332 -2.4 0 0.0 0 0.0 11 60
211 A 270 ASN N T T 3 TS- 0 0 -89.2 20.7 175.5 -119.4 94.7 79.8 0 0.0 0 0.0 0 0.0 0 0.0 10 56
212 A 271 ASP D t X T + 0 0 46.5 54.3 -178.0 170.8 46.1 33.1 209 -3.0 215 -1.5 0 0.0 0 0.0 11 51
213 A 272 ILE I T T 3 TS+ 0 0 -68.0 -17.5 177.7 45.7 75.9 50.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
214 A 273 ASN N T T 3 TS- 0 0 -109.0 12.3 177.9 -120.5 108.2 75.3 0 0.0 0 0.0 0 0.0 0 0.0 5 35
215 A 274 ALA A S t < TS+ 0 0 51.3 55.2 180.0 128.5 72.0 23.2 212 -1.5 0 0.0 0 0.0 0 0.0 7 33
216 A 275 GLU E h > T + 0 0 -110.2 -18.1 -178.3 80.9 47.9 54.6 0 0.0 220 -2.0 0 0.0 0 0.0 8 36
217 A 276 ALA A H H > TS+ 0 0 -56.9 -50.0 -178.9 46.7 92.8 22.8 0 0.0 221 -2.3 0 0.0 0 0.0 11 46
218 A 277 HIS H H H > TS+ 0 0 -62.9 -39.2 179.4 54.2 109.8 27.6 0 0.0 222 -2.8 0 0.0 0 0.0 8 41
219 A 278 SER S H H > TS+ 0 0 -61.9 -41.3 178.4 48.6 108.8 25.4 0 0.0 223 -2.9 0 0.0 0 0.0 8 31
220 A 279 TRP W H H X TS+ 0 0 -62.1 -46.6 -179.4 51.1 111.6 19.2 216 -2.0 224 -2.1 0 0.0 0 0.0 8 41
221 A 280 GLY G H H X TS+ 0 0 -57.1 -46.7 179.7 42.0 114.2 23.8 217 -2.3 225 -2.2 0 0.0 0 0.0 13 47
222 A 281 MET M H H X TS+ 0 0 -69.3 -42.0 179.9 56.5 110.2 24.6 218 -2.8 226 -2.5 0 0.0 0 0.0 10 33
223 A 282 LYS K H H < TS+ 0 0 -57.1 -37.9 -179.0 33.5 119.2 27.5 219 -2.9 0 0.0 0 0.0 0 0.0 7 27
224 A 283 ASN N H H < TS+ 0 0 -92.3 -23.3 -179.7 25.5 132.8 42.8 220 -2.1 0 0.0 0 0.0 0 0.0 9 39
225 A 284 TYR Y H H X TS+ 0 0 -123.6 5.5 179.7 93.2 87.8 66.2 221 -2.2 229 -2.2 0 0.0 0 0.0 11 41
226 A 285 GLU E H H X TS+ 0 0 -65.1 -35.1 179.6 47.1 94.6 26.8 222 -2.5 230 -1.4 0 0.0 0 0.0 11 36
227 A 286 GLU E H H > TS+ 0 0 -70.8 -37.7 178.6 55.5 108.8 30.2 0 0.0 231 -1.8 0 0.0 0 0.0 7 29
228 A 287 TRP W H H 4 TS+ 0 0 -57.9 -51.8 -179.4 47.0 108.5 19.5 0 0.0 0 0.0 0 0.0 0 0.0 10 39
229 A 288 ALA A H H < > TS+ 0 0 -61.0 -36.2 -179.7 53.3 110.6 33.2 225 -2.2 232 -0.8 0 0.0 0 0.0 10 44
230 A 289 LYS K H H < 3 TS+ 0 0 -69.7 -34.6 -179.4 48.9 108.6 32.9 226 -1.4 0 0.0 0 0.0 0 0.0 6 31
231 A 290 ASP D T h < 3 TS+ 0 0 -89.0 7.3 179.3 126.3 80.3 70.7 227 -1.8 0 0.0 0 0.0 0 0.0 6 29
232 A 291 LEU L t < T - 0 0 -65.5 138.0 179.0 -120.3 63.3 115.4 229 -0.8 0 0.0 0 0.0 0 0.0 9 35
233 A 292 THR T h > T - 0 0 -72.3 168.0 -179.5 -102.5 27.9 106.1 0 0.0 237 -2.9 0 0.0 0 0.0 6 27
234 A 293 ASP D H H > TS+ 0 0 -58.3 -46.2 -179.6 45.9 122.5 24.0 0 0.0 238 -2.5 0 0.0 0 0.0 6 22
235 A 294 SER S H H > TS+ 0 0 -66.9 -35.4 179.8 48.0 114.3 32.5 0 0.0 239 -2.3 0 0.0 0 0.0 7 29
236 A 295 GLN Q H H > TS+ 0 0 -70.6 -44.7 179.0 47.9 113.1 22.9 0 0.0 240 -2.4 0 0.0 0 0.0 12 39
237 A 296 ARG R H H X TS+ 0 0 -61.1 -44.1 179.3 48.2 113.4 24.5 233 -2.9 241 -2.0 0 0.0 0 0.0 10 43
238 A 297 GLU E H H X TS+ 0 0 -62.5 -45.7 -179.5 49.6 111.9 22.0 234 -2.5 242 -2.2 0 0.0 0 0.0 8 37
239 A 298 ALA A H H X TS+ 0 0 -61.9 -41.0 179.9 46.9 112.2 29.4 235 -2.3 243 -2.2 0 0.0 0 0.0 12 44
240 A 299 LEU L H H X TS+ 0 0 -71.3 -36.4 179.4 51.4 110.9 31.1 236 -2.4 244 -2.1 0 0.0 0 0.0 10 59
241 A 300 ASP D H H X TS+ 0 0 -66.3 -44.9 179.3 47.1 111.8 21.7 237 -2.0 245 -2.5 0 0.0 0 0.0 12 43
242 A 301 GLY G H H X >TS+ 0 0 -59.7 -50.9 179.8 54.6 109.4 17.1 238 -2.2 246 -2.5 0 0.0 247 -2.4 10 38
243 A 302 TYR Y H H < >TS+ 0 0 -46.6 -57.0 -179.2 40.0 113.7 23.5 239 -2.2 248 -2.6 0 0.0 0 0.0 10 52
244 A 303 ALA A H H < 5TS+ 0 0 -63.3 -44.4 -178.7 56.1 112.2 25.3 240 -2.1 0 0.0 0 0.0 0 0.0 11 46
245 A 304 ARG R H H < 5TS- 0 0 -57.5 -50.0 178.9 -52.6 140.0 22.0 241 -2.5 0 0.0 0 0.0 0 0.0 10 28
246 A 305 GLN Q T h X >5TS+ 0 0 -164.6 -18.9 -178.2 93.3 114.7 67.1 242 -2.5 249 -1.2 0 0.0 250 -0.6 8 26
247 A 306 ASP D H H > 3 3 < TS+ 0 0 -58.3 -55.8 -179.3 32.8 116.0 15.2 246 -1.2 253 -1.3 0 0.0 0 0.0 7 31
250 A 309 GLU E H H X TS+ 0 0 -68.2 -46.2 -179.4 55.8 117.2 24.1 246 -0.6 254 -2.7 0 0.0 0 0.0 8 37
251 A 310 ILE I H H X TS+ 0 0 -55.4 -51.2 -179.8 42.0 110.9 22.8 247 -3.1 255 -2.2 0 0.0 0 0.0 12 46
252 A 311 ASN N H H X TS+ 0 0 -68.9 -30.0 178.5 53.7 113.2 33.9 248 -2.3 256 -3.1 0 0.0 0 0.0 12 45
253 A 312 ASN N H H X TS+ 0 0 -66.5 -42.8 179.6 50.1 109.2 22.5 249 -1.3 257 -1.3 0 0.0 0 0.0 10 31
254 A 313 TYR Y H H < TS+ 0 0 -59.1 -48.6 -179.5 38.2 118.0 22.7 250 -2.7 0 0.0 0 0.0 0 0.0 10 33
255 A 314 LEU L H H X TS+ 0 0 -70.3 -51.3 -178.9 44.9 118.9 19.9 251 -2.2 259 -1.0 0 0.0 0 0.0 11 37
256 A 315 ARG R H H < TS+ 0 0 -70.1 -14.3 -179.4 53.0 115.5 50.9 252 -3.1 0 0.0 0 0.0 0 0.0 10 31
257 A 316 ASN N T h < TS- 0 0 -128.6 93.7 -179.7 -40.4 138.5 145.1 253 -1.3 0 0.0 0 0.0 0 0.0 7 25
258 A 317 GLN Q T T 4 TS- 0 0 54.0 58.9 -179.0 -171.1 87.7 14.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
259 A 318 GLY G t < T + 0 0 -79.5 168.7 -179.7 42.5 53.3 103.8 255 -1.0 0 0.0 0 0.0 0 0.0 9 29
260 A 319 GLY G S S S+ 0 0 63.3 42.9 179.9 127.9 86.0 24.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28
261 A 320 SER S S S S- 0 0 -102.9 -141.2 -179.4 -38.0 70.2 82.7 0 0.0 263 -1.0 0 0.0 0 0.0 5 23
262 A 321 GLY G S S S+ 0 0 -95.7 98.2 179.3 98.4 93.0 138.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
263 A 322 ASN N h > > T - 0 0 -175.4 73.3 -179.7 -179.8 36.3 104.5 261 -1.0 267 -2.5 0 0.0 266 -0.7 7 21
264 A 323 GLU E H H > 3 TS+ 0 0 -52.8 -25.2 179.5 67.0 83.0 41.1 0 0.0 268 -2.2 0 0.0 0 0.0 6 19
265 A 324 LYS K H H > 3 TS+ 0 0 -61.5 -52.5 179.6 31.8 109.9 16.3 0 0.0 269 -1.5 0 0.0 0 0.0 6 27
266 A 325 LEU L H H > < TS+ 0 0 -72.3 -40.3 180.0 58.0 116.6 27.3 263 -0.7 270 -3.6 0 0.0 0 0.0 8 40
267 A 326 ASP D H H X TS+ 0 0 -57.4 -38.0 180.0 49.8 106.6 29.8 263 -2.5 271 -1.9 0 0.0 0 0.0 9 37
268 A 327 ALA A H H X TS+ 0 0 -66.9 -46.4 179.8 42.7 114.7 22.0 264 -2.2 272 -2.0 0 0.0 0 0.0 8 33
269 A 328 GLN Q H H X TS+ 0 0 -67.0 -41.7 179.2 53.0 112.7 25.9 265 -1.5 273 -2.3 0 0.0 0 0.0 9 46
270 A 329 ILE I H H X TS+ 0 0 -60.9 -38.6 179.3 52.6 107.9 27.1 266 -3.6 274 -2.6 0 0.0 0 0.0 10 50
271 A 330 LYS K H H X TS+ 0 0 -61.6 -49.0 -180.0 48.4 109.2 19.0 267 -1.9 275 -2.2 0 0.0 0 0.0 8 45
272 A 331 ASN N H H X TS+ 0 0 -59.3 -38.9 179.7 49.7 112.2 30.4 268 -2.0 276 -1.8 0 0.0 0 0.0 12 41
273 A 332 ILE I H H X TS+ 0 0 -66.6 -49.8 -179.6 45.1 112.6 19.3 269 -2.3 277 -2.4 0 0.0 0 0.0 11 58
274 A 333 SER S H H X TS+ 0 0 -65.5 -31.0 178.9 54.1 111.1 34.5 270 -2.6 278 -0.7 0 0.0 0 0.0 10 52
275 A 334 ASP D H H < > TS+ 0 0 -68.6 -41.5 179.7 46.6 110.4 22.7 271 -2.2 278 -0.6 0 0.0 0 0.0 9 39
276 A 335 ALA A H H < > TS+ 0 0 -65.6 -41.3 -179.0 54.4 109.3 25.0 272 -1.8 279 -1.2 0 0.0 0 0.0 9 49
277 A 336 LEU L H H < 3 TS+ 0 0 -69.0 -14.2 179.8 51.8 107.5 48.9 273 -2.4 355 -0.5 0 0.0 0 0.0 14 57
278 A 337 GLY G T h < < TS+ 0 0 -98.8 -5.5 -178.5 84.9 86.0 58.5 274 -0.7 0 0.0 275 -0.6 0 0.0 10 39
279 A 338 LYS K S t < TS+ 0 0 -67.2 -30.5 179.1 25.8 100.7 37.0 276 -1.2 0 0.0 0 0.0 0 0.0 7 37
280 A 339 LYS K S S S- 0 0 -139.8 102.6 179.9 -144.8 78.5 146.7 0 0.0 0 0.0 0 0.0 0 0.0 10 42
281 A 340 PRO P - 0 0 -61.2 148.8 178.6 -79.4 47.6 105.2 0 0.0 0 0.0 0 0.0 0 0.0 12 36
282 A 341 ILE I - 0 0 -49.4 119.1 -179.3 -142.9 46.7 108.2 353 -2.4 352 -3.0 0 0.0 0 0.0 13 50
283 A 342 PRO P + 0 0 -63.9 -23.4 179.1 4.5 69.7 47.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
284 A 343 GLU E S S S- 0 0 -155.4 166.4 179.6 -71.0 93.6 165.9 0 0.0 0 0.0 0 0.0 0 0.0 8 41
285 A 344 ASN N + 0 0 -63.5 129.8 176.8 171.6 59.8 116.4 0 0.0 207 -2.3 0 0.0 0 0.0 12 50
286 A 345 ILE I E E DHd - 349 207 -136.8 165.7 178.2 -129.7 31.2 156.1 349 -2.2 349 -2.9 0 0.0 0 0.0 11 60
287 A 346 THR T E E DH - 348 0 -115.2 132.8 178.3 -175.5 27.5 163.0 207 -2.0 0 0.0 0 0.0 0 0.0 13 70
288 A 347 VAL V E E DH - 347 0 -127.4 162.0 -176.7 -137.4 11.4 150.6 347 -2.5 347 -2.4 0 0.0 0 0.0 15 69
289 A 348 TYR Y E E DHE + 346 329 -127.8 147.7 179.3 177.8 16.4 159.2 329 -3.0 329 -2.4 0 0.0 0 0.0 13 60
290 A 349 ARG R E E DH - 345 0 -148.0 123.1 178.0 -146.4 20.0 164.2 345 -1.8 345 -3.3 0 0.0 292 -0.6 11 63
291 A 350 TRP W E E DH - 344 0 -90.6 122.5 -175.7 -160.4 30.0 145.5 0 0.0 0 0.0 0 0.0 0 0.0 11 50
292 A 351 CYS C E E DH - 343 0 -112.8 145.7 178.3 -131.5 13.5 144.7 343 -3.3 343 -1.4 290 -0.6 0 0.0 11 44
293 A 352 GLY G g > > T - 0 0 -85.6 162.6 -179.5 -104.2 35.3 118.5 0 0.0 296 -1.0 0 0.0 297 -0.6 9 36
294 A 353 MET M G G 4 >>TS+ 0 0 -54.3 -44.3 179.8 58.8 118.2 29.1 0 0.0 299 -2.2 0 0.0 297 -1.7 12 33
295 A 354 PRO P G G 4 >5TS+ 0 0 -57.7 -30.4 179.8 64.8 94.7 34.0 0 0.0 298 -1.9 0 0.0 0 0.0 8 30
296 A 355 GLU E G G 4 <5TS+ 0 0 -63.8 -23.3 178.0 41.8 108.4 38.6 293 -1.0 0 0.0 0 0.0 0 0.0 7 40
297 A 356 PHE F G G < <5TS- 0 0 -109.5 22.4 177.6 -97.5 127.6 84.3 294 -1.7 0 0.0 293 -0.6 0 0.0 7 45
298 A 357 GLY G T g <5TS+ 0 0 75.8 18.0 178.8 116.7 85.4 48.4 295 -1.9 0 0.0 0 0.0 0 0.0 6 28
299 A 358 TYR Y t T - 0 0 -59.0 159.6 -179.8 -110.7 41.0 101.7 0 0.0 311 -2.3 0 0.0 0 0.0 6 28
308 A 367 LEU L H H > TS+ 0 0 -61.2 -38.9 179.4 55.8 118.8 25.6 0 0.0 312 -2.6 0 0.0 0 0.0 8 37
309 A 368 LYS K H H > TS+ 0 0 -59.4 -48.2 -179.9 42.6 110.3 22.8 0 0.0 313 -2.1 0 0.0 0 0.0 8 26
310 A 369 ASP D H H > TS+ 0 0 -69.3 -34.3 179.7 54.6 112.1 30.7 0 0.0 314 -1.5 0 0.0 0 0.0 8 27
311 A 370 PHE F H H X TS+ 0 0 -64.5 -45.6 179.7 45.9 110.5 19.6 307 -2.3 315 -2.5 0 0.0 0 0.0 10 43
312 A 371 GLU E H H X TS+ 0 0 -63.5 -41.4 180.0 56.1 108.2 26.4 308 -2.6 316 -1.9 0 0.0 0 0.0 9 41
313 A 372 GLU E H H < TS+ 0 0 -60.6 -31.1 179.2 40.6 114.7 31.5 309 -2.1 0 0.0 0 0.0 0 0.0 7 30
314 A 373 GLN Q H H < TS+ 0 0 -84.3 -36.4 -176.3 10.0 136.2 30.2 310 -1.5 0 0.0 0 0.0 0 0.0 6 29
315 A 374 PHE F H H < > TS+ 0 0 -119.5 -25.0 -178.0 113.5 84.9 46.0 311 -2.5 318 -1.4 0 0.0 0 0.0 8 43
316 A 375 LEU L T h < 3 TS+ 0 0 -57.7 134.4 -179.9 3.3 95.3 108.1 312 -1.9 0 0.0 0 0.0 0 0.0 11 42
317 A 376 ASN N T T 3 TS+ 0 0 59.3 36.2 177.5 121.3 104.5 35.5 380 -1.9 0 0.0 0 0.0 0 0.0 9 41
318 A 377 THR T e < T - 0 0 -119.3 169.3 178.7 -116.1 63.7 139.0 315 -1.4 380 -2.3 0 0.0 320 -0.5 7 32
319 A 378 ILE I E E DI - 379 0 -111.0 123.6 -179.4 -162.9 25.1 160.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
320 A 379 LYS K E E DI - 378 0 -106.9 133.1 -178.1 -174.6 14.6 153.6 378 -2.8 378 -2.4 318 -0.5 0 0.0 8 42
321 A 380 GLU E E E DI - 377 0 -131.6 162.0 -179.3 -160.0 18.4 151.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
322 A 381 ASP D E E DI - 376 0 -143.7 123.7 179.8 -161.0 12.1 165.6 376 -2.1 376 -1.6 0 0.0 375 -1.3 11 45
323 A 382 LYS K S S S+ 0 0 -74.7 -17.2 179.3 65.1 81.5 48.1 0 0.0 0 0.0 0 0.0 0 0.0 11 38
324 A 383 GLY G S S S- 0 0 -94.1 -174.8 179.4 -76.6 104.3 105.7 0 0.0 375 -0.5 0 0.0 376 -0.5 13 44
325 A 384 TYR Y - 0 0 -87.1 134.2 -179.3 -139.0 42.4 135.0 0 0.0 327 -0.7 0 0.0 0 0.0 12 61
326 A 385 MET M E E EJ - 372 0 -100.1 115.4 179.1 -153.7 11.1 147.7 372 -0.9 372 -2.3 0 0.0 0 0.0 10 62
327 A 386 SER S E E EJ + 371 0 -86.5 132.0 179.5 166.8 22.9 135.9 325 -0.7 0 0.0 0 0.0 0 0.0 9 64
328 A 387 THR T E E EJ - 370 0 -138.6 167.0 179.7 -132.5 23.6 154.1 370 -2.0 370 -2.5 0 0.0 0 0.0 11 64
329 A 388 SER S E E EJE - 369 289 -127.7 149.6 178.2 -138.6 15.7 159.6 289 -2.4 289 -3.0 0 0.0 0 0.0 12 55
330 A 389 LEU L S e S+ 0 0 -73.0 -17.2 -179.1 70.5 92.8 48.8 368 -2.3 0 0.0 0 0.0 0 0.0 14 62
331 A 390 SER S - 0 0 -108.5 141.0 179.1 -160.6 62.9 147.2 0 0.0 0 0.0 0 0.0 0 0.0 12 57
332 A 391 SER S + 0 0 -95.3 5.3 179.6 136.2 48.7 70.4 210 -2.4 0 0.0 0 0.0 0 0.0 15 65
333 A 392 GLU E - 0 0 -53.8 140.2 180.0 -120.6 58.0 102.5 0 0.0 0 0.0 0 0.0 0 0.0 12 55
334 A 393 ARG R B B b - 56 0 -90.8 128.2 179.7 -160.1 26.9 139.5 55 -1.7 57 -0.5 0 0.0 0 0.0 10 50
335 A 394 LEU L t > > T - 0 0 -106.6 148.9 -179.0 -122.1 26.3 143.7 0 0.0 338 -1.5 0 0.0 339 -1.3 8 39
336 A 395 ALA A T T 4 3 TS+ 0 0 -55.9 -36.8 -179.1 68.9 107.6 32.0 0 0.0 0 0.0 0 0.0 0 0.0 7 23
337 A 396 ALA A T T 4 3 TS+ 0 0 -54.4 -30.1 -179.5 5.0 126.5 38.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
338 A 397 PHE F T T 4 X TS+ 0 0 -141.4 16.6 -178.7 120.2 90.5 78.8 335 -1.5 341 -1.6 0 0.0 0 0.0 8 34
339 A 398 GLY G T T < 3 TS+ 0 0 -64.3 -4.6 -179.3 59.7 73.8 58.8 335 -1.3 0 0.0 0 0.0 0 0.0 9 40
340 A 399 SER S T T 3 TS+ 0 0 -98.6 -14.5 -179.6 117.6 74.5 52.5 0 0.0 0 0.0 0 0.0 0 0.0 5 37
341 A 400 ARG R t < T - 0 0 -56.6 141.5 -176.5 -149.1 55.4 103.5 338 -1.6 0 0.0 0 0.0 0 0.0 10 46
342 A 401 LYS K S e S+ 0 0 -91.2 -13.9 -178.4 66.9 73.1 55.7 0 0.0 394 -2.2 0 0.0 344 -0.5 12 51
343 A 402 ILE I E E DHk - 292 394 -119.3 119.3 -179.1 -168.2 59.0 161.0 292 -1.4 292 -3.3 0 0.0 345 -0.6 12 56
344 A 403 ILE I E E DHk - 291 395 -107.7 117.3 179.0 -150.8 10.7 154.4 394 -2.8 396 -3.1 342 -0.5 0 0.0 13 61
345 A 404 LEU L E E DHk - 290 396 -88.3 125.0 177.3 -170.0 8.4 138.2 290 -3.3 290 -1.8 343 -0.6 347 -0.7 12 66
346 A 405 ARG R E E DHk - 289 397 -115.2 98.3 -174.7 -167.9 21.0 156.9 396 -2.9 398 -1.9 0 0.0 0 0.0 12 67
347 A 406 LEU L E E DHk - 288 398 -101.4 128.0 177.0 -143.3 20.5 142.7 288 -2.4 288 -2.5 345 -0.7 349 -0.6 11 69
348 A 407 GLN Q E E DHk - 287 399 -87.1 120.1 179.7 -165.2 14.7 139.9 398 -2.8 400 -3.0 0 0.0 0 0.0 13 67
349 A 408 VAL V E E DH - 286 0 -107.7 102.5 -179.6 -142.9 17.0 156.6 286 -2.9 286 -2.2 347 -0.6 0 0.0 12 60
350 A 409 PRO P t > T - 0 0 -65.0 156.5 177.0 -86.2 29.9 102.3 0 0.0 353 -1.9 0 0.0 0 0.0 13 48
351 A 410 LYS K T T 3 TS+ 0 0 -58.1 137.2 179.7 35.2 119.2 112.6 0 0.0 0 0.0 0 0.0 0 0.0 10 33
352 A 411 GLY G T T 3 TS+ 0 0 96.5 -4.6 179.4 145.2 83.4 66.9 282 -3.0 0 0.0 0 0.0 0 0.0 9 31
353 A 412 SER S t < T - 0 0 -66.0 156.8 -179.0 -108.4 56.4 105.2 350 -1.9 282 -2.4 0 0.0 355 -0.9 11 44
354 A 413 THR T S e S+ 0 0 -93.4 103.9 -179.7 78.6 76.3 140.7 0 0.0 373 -2.2 0 0.0 0 0.0 12 49
355 A 414 GLY G E E EL - 372 0 -178.5 -173.7 -180.0 -134.0 55.0 165.1 353 -0.9 0 0.0 277 -0.5 0 0.0 13 62
356 A 415 ALA A E E EL - 371 0 -161.0 159.5 178.1 -97.4 33.1 173.9 371 -1.7 371 -2.6 0 0.0 358 -1.7 12 68
357 A 416 TYR Y E E EL > T - 370 0 -80.9 88.4 -178.6 -172.7 41.0 131.1 0 0.0 360 -1.9 0 0.0 0 0.0 12 67
358 A 417 LEU L G e > TS+ 0 0 -54.5 -32.0 -178.7 74.1 72.7 37.5 356 -1.7 361 -2.0 369 -0.7 0 0.0 12 65
359 A 418 SER S G G > TS+ 0 0 -59.2 -17.8 179.9 78.1 76.8 46.7 369 -1.1 362 -1.6 0 0.0 0 0.0 12 48
360 A 419 ALA A G G < TS+ 0 0 -68.3 -9.5 -179.8 60.7 86.7 52.9 357 -1.9 0 0.0 0 0.0 0 0.0 10 43
361 A 420 ILE I G G < TS- 0 0 -96.2 -0.5 -179.5 -156.1 92.0 63.6 358 -2.0 0 0.0 0 0.0 0 0.0 9 46
362 A 421 GLY G g X T + 0 0 58.2 -154.4 179.4 91.1 51.7 100.6 359 -1.6 365 -1.1 0 0.0 0 0.0 7 35
363 A 422 GLY G T T 3 TS- 0 0 74.0 -134.0 -179.8 -14.8 107.7 119.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
364 A 423 PHE F T T 3 TS+ 0 0 -89.9 11.0 179.9 132.7 97.6 74.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
365 A 424 ALA A t < T - 0 0 -62.3 147.7 179.6 -108.2 61.1 106.2 362 -1.1 0 0.0 0 0.0 0 0.0 12 42
366 A 425 SER S t > T - 0 0 -74.3 164.5 -178.6 -82.6 43.2 106.6 0 0.0 369 -0.9 0 0.0 0 0.0 8 47
367 A 426 GLU E T T 3 TS- 0 0 -72.3 132.7 177.7 -11.3 104.1 117.8 0 0.0 0 0.0 0 0.0 0 0.0 6 43
368 A 427 LYS K T e 3 TS+ 0 0 47.8 43.3 -176.7 176.8 96.0 32.3 0 0.0 330 -2.3 0 0.0 0 0.0 13 53
369 A 428 GLU E E E EJ < T - 329 0 -93.2 133.6 176.5 -170.1 29.9 129.5 366 -0.9 359 -1.1 0 0.0 358 -0.7 13 62
370 A 429 ILE I E E EJL - 328 357 -113.2 118.1 179.9 -158.1 15.4 167.1 328 -2.5 328 -2.0 0 0.0 372 -0.6 14 73
371 A 430 LEU L E E EJL - 327 356 -103.4 123.0 179.8 -153.0 5.4 153.1 356 -2.6 356 -1.7 0 0.0 0 0.0 13 68
372 A 431 LEU L E E EJL - 326 355 -95.4 144.4 -178.7 -103.7 24.4 137.9 326 -2.3 326 -0.9 370 -0.6 0 0.0 13 66
373 A 432 ASP D e - 0 0 -64.3 155.3 -179.6 -88.1 45.8 100.5 354 -2.2 0 0.0 0 0.0 0 0.0 13 53
374 A 433 LYS K S S S+ 0 0 -60.0 160.9 -179.4 44.7 106.9 96.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
375 A 434 ASP D S S S+ 0 0 69.4 39.1 179.3 170.6 78.7 29.2 322 -1.3 0 0.0 324 -0.5 0 0.0 9 40
376 A 435 SER S E E DI - 322 0 -81.6 150.1 179.6 -170.3 14.3 121.4 322 -1.6 322 -2.1 324 -0.5 0 0.0 14 43
377 A 436 LYS K E E DI - 321 0 -140.7 137.0 177.7 -175.6 3.1 176.3 0 0.0 401 -2.7 0 0.0 0 0.0 10 41
378 A 437 TYR Y E E DIM - 320 400 -140.1 144.3 -179.2 -131.1 21.8 176.3 320 -2.4 320 -2.8 0 0.0 380 -0.5 11 48
379 A 438 HIS H E E DIM - 319 399 -92.9 125.2 179.3 -129.8 23.9 143.5 399 -2.5 399 -2.1 0 0.0 381 -0.7 12 42
380 A 439 ILE I E E D M + 0 398 -79.4 113.1 -177.3 178.7 28.2 131.6 318 -2.3 317 -1.9 378 -0.5 0 0.0 14 51
381 A 440 ASP D E E D * - 0 0 -82.8 -45.8 179.4 -26.4 55.1 29.4 397 -1.9 0 0.0 379 -0.7 0 0.0 13 57
382 A 441 LYS K E E D M - 0 397 -165.6 166.4 179.8 -133.5 48.5 168.5 397 -1.5 397 -2.3 0 0.0 0 0.0 12 61
383 A 442 VAL V E E D M + 0 396 -133.8 132.4 179.1 167.7 25.2 178.0 0 0.0 0 0.0 0 0.0 0 0.0 12 56
384 A 443 THR T E E D M - 0 395 -135.1 172.5 -178.1 -112.4 27.3 147.2 395 -2.0 395 -3.0 0 0.0 0 0.0 10 51
385 A 444 GLU E E E D M - 0 394 -113.1 155.9 176.3 -179.7 21.7 138.7 0 0.0 0 0.0 0 0.0 0 0.0 8 49
386 A 445 VAL V E E D M - 0 393 -150.6 132.5 179.8 -140.2 21.3 162.8 393 -2.0 393 -2.4 0 0.0 388 -0.7 10 47
387 A 446 ILE I E E D M - 0 392 -99.7 115.2 179.8 -171.3 18.0 152.0 0 0.0 389 -0.6 0 0.0 0 0.0 9 35
388 A 447 ILE I E E D M> TS- 0 391 -110.3 110.1 -178.6 -16.6 75.4 157.5 391 -3.0 391 -0.9 386 -0.7 0 0.0 10 39
389 A 448 LYS K T T 3 TS- 0 0 64.2 41.1 179.5 -51.1 130.1 26.8 387 -0.6 0 0.0 0 0.0 0 0.0 4 30
390 A 449 GLY G T T 3 TS+ 0 0 76.6 2.9 179.6 111.5 118.9 60.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
391 A 450 VAL V E E D M< T - 0 388 -112.1 138.0 -179.1 -125.4 66.3 155.2 388 -0.9 388 -3.0 0 0.0 0 0.0 6 28
392 A 451 LYS K E E D M + 0 387 -85.9 139.9 178.8 177.8 28.5 126.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
393 A 452 ARG R E E D M - 0 386 -133.3 155.2 176.8 -125.2 25.2 159.2 386 -2.4 386 -2.0 0 0.0 0 0.0 11 45
394 A 453 TYR Y E E DkM - 343 385 -104.4 133.6 176.1 -151.4 13.2 152.6 342 -2.2 344 -2.8 0 0.0 396 -0.6 11 60
395 A 454 VAL V E E DkM - 344 384 -103.3 120.4 -179.3 -156.3 12.4 158.8 384 -3.0 384 -2.0 0 0.0 397 -0.7 12 66
396 A 455 VAL V E E DkM - 345 383 -102.6 108.4 177.6 -158.0 2.4 151.7 344 -3.1 346 -2.9 394 -0.6 0 0.0 13 69
397 A 456 ASP D E E DkM + 346 382 -85.4 133.3 -179.0 159.9 25.3 137.7 382 -2.3 381 -1.9 395 -0.7 382 -1.5 13 65
398 A 457 ALA A E E DkM - 347 380 -148.6 165.9 179.8 -132.0 33.7 161.0 346 -1.9 348 -2.8 0 0.0 0 0.0 13 59
399 A 458 THR T E E DkM - 348 379 -129.1 126.2 179.9 -128.7 22.5 171.8 379 -2.1 379 -2.5 0 0.0 0 0.0 12 60
400 A 459 LEU L E E D M - 0 378 -70.3 138.4 177.8 -127.8 23.4 117.7 348 -3.0 0 0.0 0 0.0 0 0.0 13 53
401 A 460 LEU L e 0 0 -88.0 142.3 -179.3 999.9 999.9 133.2 377 -2.7 0 0.0 0 0.0 0 0.0 9 40
402 A 461 THR T 0 0 -114.5 999.9 999.9 999.9 999.9 127.6 0 0.0 0 0.0 0 0.0 0 0.0 6 34
1qs1A.pdb
1QS1 TOXIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B TT HHHHHHHHHHHHHHH HHHHHHHHHHHTTGGGHHHHHHHHHT BTTTTHHHHHHHHHHHHHGGG S EEEEEEE GGGGT S Kabs/Sand
chirality -+-+---++++++++++++++++-+--+++++++++++--+-+++++++++++--+++++++++++++++++++++--+-+---+----+++-+++-++ chirality
bends SS SSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSSSS SSSS SSSSSSSSSSSSSSS S SSSSS S bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33X>3<< >>3<<>3><3< >>>XX<<< >>><<< 3-turns
bridge-2 a C bridge-2
bridge-1 a b AAAAAAA bridge-1
sheets AAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXXXX<<<< >>44XX>4<<< >>>>XXXXXXX<<<< 4-turns
summary B tTThHHHHHHHHHHHHHHHh hHHHHHHHHHHHhgGGhHHHHHHHHHhtBTTThHHHHHHHHHHHHHhGGg S EEEEEEEgGGGGgt S e summary
sequence TDKVEDFKEDKEKAKEWGKEKEKEWKLTATEKGKMNNFLDNKNDIKTNYKEITFSMAGSFEDEIKDLKEIDKMFDKTNLSNSIITYKNVEPTTIGFNKSL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EETTEE HHHHHHHHHHHTTSEE SS EEEESS SS EEEEEEE TTSSS EEEEEETTEEEEEE SSEEEEEEEEEEEEETTEEEEEEE Kabs/Sand
chirality ---+---+++++++++++++-----+---+--+------++++---------+++-+---++---+--+-+-----++----++-+-+----+-+----+ chirality
bends SSSS SSSSSSSSSSSSSS SS SS SS SSSS SSS SS SSS bends
turns TTTT TTTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 C eeeeee FFFFFF GGGGG*GGGGGGG GGGGGGG bridge-2
bridge-1 BB BB CC DDDD AAAAAAA FFFFFF DDDD CC eeee bridge-1
sheets BB BB AA CCCC AAAAAAA CCCCCC CCCCCC AAAAAAAAAAAAA AAAAAAA sheets
4-turns >>>>XXXXX<<<< 4-turns
summary EETTEEhHHHHHHHHHHHhTeEE SS EEEEeS SS eEEEEEEE tTTtSS eEEEEEETTEEEEEEeSeEEEEEEEEEEEEETTEEEEEEE summary
sequence TEGNTINSDAMAQFKEQFLDRDIKFDSYLDTHLTAQQVSSKERVILKVTVPSGKGSTTPTKAGVILNNSEYKMLIDNGYMVHVDKVSKVVKKGVECLQIE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEE B TT TTS HHHHHHHHHHHHHHT HHHHHHHHHHHHTHHHHHHHHHHTT SSS HHHHHHHHHHHHHHTSS S EEEEEEE GGGGT Kabs/Sand
chirality ----+------++-+++++++++++++++++--+++++++++++-+++++++++++--++-+-++++++++++++++++---+-+---+----+++-+-- chirality
bends SS SSS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSS S SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns >33X33< >33< >33< >33< >>3<< >>><<< 3-turns
bridge-2 GGGGG d E bridge-2
bridge-1 ee d HHHHHHH bridge-1
sheets AAAAA DDDDDDD sheets
4-turns >>>>XXX<4<<< >>>>XXXXXX<<>>XXXX>>>XXXXXXXX<<<< >444< 4-turns
summary EEEEEeB tTTtTTthHHHHHHHHHHHHHHhthHHHHHHHHHHHHhHHHHHHHHHHhTtSSShHHHHHHHHHHHHHHhtS S EEEEEEEgGGGGgt summary
sequence GTLKKSLDFKNDINAEAHSWGMKNYEEWAKDLTDSQREALDGYARQDYKEINNYLRNQGGSGNEKLDAQIKNISDALGKKPIPENITVYRWCGMPEFGYQ sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SSS HHHHHHHHTT EEEESS EEEES B TTTTT SEEEEEEE TT SEEEGGGG TT TTEEEE SSEEEEEEEEEEEEETTEEEEEEEEEE Kabs/Sand
chirality ++-----++++++++++-----+---+--+-+---+++++-+--------++-+---+++-+-+---+-----++----+--+------+-+----+--- chirality
bends SSS SSSSSSSSSS SS S SSSSS S SS S SSSS SS SS SS SSS bends
turns TTTTTTTTTTTT TTTTTTT TTTT TTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33X33< >33< >>><33< >33< 3-turns
bridge-2 E kkkkkk LLL MMM*MMMMMMM MMMMMMMMMM bridge-2
bridge-1 IIII JJJJ b HHHHHHH LLL JJJJ IIII kkkkkk bridge-1
sheets DDDD EEEE DDDDDDD EEE EEEE DDDDDDDDDDDDD DDDDDDDDDD sheets
4-turns >>>>XX<<<< >444< 4-turns
summary SSS hHHHHHHHHhTeEEEESS EEEEe BtTTTTTteEEEEEEEtTTteEEEeGGGgTTttTeEEEEeSSEEEEEEEEEEEEETTEEEEEEEEEE summary
sequence ISDPLPSLKDFEEQFLNTIKEDKGYMSTSLSSERLAAFGSRKIILRLQVPKGSTGAYLSAIGGFASEKEILLDKDSKYHIDKVTEVIIKGVKRYVVDATL sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary e summary
sequence LT sequence