Secondary structure calculation program - copyright by David Keith Smith, 1989
1j7nA.pdb
1J7N TOXIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 725
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 27 GLU E 0 0 999.9 -70.9 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 9
2 A 28 ARG R t > T + 0 0 -88.4 -64.3 179.9 31.7 999.9 21.5 0 0.0 5 -1.1 0 0.0 0 0.0 5 12
3 A 29 ASN N T T > 3>TS+ 0 0 -75.8 3.6 -179.7 89.9 99.8 66.8 0 0.0 7 -1.2 0 0.0 8 -0.5 7 12
4 A 30 LYS K T T 4 35TS+ 0 0 -69.2 -32.5 -179.4 23.4 103.1 33.9 0 0.0 0 0.0 0 0.0 0 0.0 7 12
5 A 31 THR T T T 4 <5TS+ 0 0 -115.3 7.4 -180.0 61.1 122.0 74.2 2 -1.1 0 0.0 0 0.0 0 0.0 8 18
6 A 32 GLN Q T h > 5TS+ 0 0 -97.4 -60.2 179.9 39.5 103.5 27.4 0 0.0 10 -3.2 0 0.0 0 0.0 8 23
7 A 33 GLU E H H X 5TS+ 0 0 -57.5 -47.6 -180.0 46.4 120.6 22.4 3 -1.2 11 -1.9 0 0.0 0 0.0 8 25
8 A 34 GLU E H H > > TS+ 0 0 -73.3 -56.0 -180.0 47.3 108.5 15.2 0 0.0 13 -1.1 0 0.0 12 -1.0 8 26
10 A 36 LEU L H H X 3 TS+ 0 0 -54.5 -38.3 179.8 56.5 109.2 31.3 6 -3.2 14 -2.4 0 0.0 0 0.0 9 34
11 A 37 LYS K H H X 3 TS+ 0 0 -65.1 -30.4 178.9 57.4 101.2 35.8 7 -1.9 15 -1.7 0 0.0 0 0.0 8 34
12 A 38 GLU E H H X < TS+ 0 0 -69.7 -28.6 179.2 46.3 108.9 37.0 9 -1.0 16 -1.2 8 -0.7 0 0.0 8 30
13 A 39 ILE I H H X TS+ 0 0 -76.4 -50.2 179.4 50.9 110.1 20.6 9 -1.1 17 -2.8 0 0.0 0 0.0 12 36
14 A 40 MET M H H X TS+ 0 0 -53.4 -36.5 -179.8 57.2 108.2 31.9 10 -2.4 18 -1.5 0 0.0 0 0.0 8 43
15 A 41 LYS K H H < TS+ 0 0 -61.3 -47.6 -178.5 35.3 114.1 24.4 11 -1.7 0 0.0 0 0.0 0 0.0 7 32
16 A 42 HIS H H H < TS+ 0 0 -77.8 -45.8 -177.1 29.2 127.9 25.8 12 -1.2 0 0.0 0 0.0 0 0.0 8 31
17 A 43 ILE I H H < TS+ 0 0 -98.6 -7.4 -179.4 83.7 98.7 56.9 13 -2.8 55 -3.4 0 0.0 19 -0.8 10 43
18 A 44 VAL V E E T + 0 0 -83.8 32.4 179.8 155.7 45.6 92.4 0 0.0 27 -2.6 0 0.0 29 -1.7 7 21
26 A 52 GLU E T T 4 T + 0 0 -63.8 77.6 179.8 53.7 60.5 112.1 0 0.0 0 0.0 0 0.0 0 0.0 9 24
27 A 53 ALA A T h > TS+ 0 0 -171.0 -50.1 179.2 36.9 110.8 87.1 25 -2.6 31 -1.0 0 0.0 0 0.0 6 22
28 A 54 VAL V H H > TS+ 0 0 -84.0 -41.5 179.3 48.7 120.1 30.2 0 0.0 32 -2.0 0 0.0 0 0.0 7 25
29 A 55 LYS K H H X TS+ 0 0 -62.1 -49.8 -179.9 45.7 114.2 19.6 25 -1.7 33 -2.0 0 0.0 0 0.0 13 35
30 A 56 LYS K H H > TS+ 0 0 -61.6 -40.3 -179.4 49.8 113.3 28.8 0 0.0 34 -1.9 0 0.0 0 0.0 10 38
31 A 57 GLU E H H X TS+ 0 0 -69.5 -33.5 179.6 54.1 107.8 33.2 27 -1.0 35 -1.8 0 0.0 0 0.0 8 34
32 A 58 ALA A H H X TS+ 0 0 -65.3 -48.7 179.8 47.4 108.9 19.6 28 -2.0 36 -2.2 0 0.0 0 0.0 11 39
33 A 59 ALA A H H X TS+ 0 0 -58.9 -43.6 179.2 55.0 109.2 24.9 29 -2.0 37 -3.4 0 0.0 0 0.0 10 51
34 A 60 GLU E H H X TS+ 0 0 -56.7 -41.8 179.3 48.6 108.0 27.1 30 -1.9 38 -1.2 0 0.0 0 0.0 8 47
35 A 61 LYS K H H X TS+ 0 0 -64.9 -40.6 179.9 47.7 114.4 25.7 31 -1.8 39 -0.8 0 0.0 0 0.0 8 38
36 A 62 LEU L H H < > TS+ 0 0 -63.9 -58.5 -179.6 43.8 113.2 13.5 32 -2.2 39 -1.0 0 0.0 0 0.0 10 55
37 A 63 LEU L H H < > TS+ 0 0 -61.2 -20.1 179.7 77.0 100.7 45.1 33 -3.4 40 -1.2 0 0.0 0 0.0 7 64
38 A 64 GLU E H H < 3 TS+ 0 0 -56.5 -48.5 -179.3 60.5 83.3 24.9 34 -1.2 0 0.0 0 0.0 0 0.0 8 42
39 A 65 LYS K T h < < TS+ 0 0 -55.7 -18.8 -178.8 91.3 89.9 46.4 36 -1.0 0 0.0 35 -0.8 0 0.0 8 44
40 A 66 VAL V S t < TS- 0 0 -83.1 137.2 179.8 -101.7 93.9 127.2 37 -1.2 0 0.0 0 0.0 0 0.0 10 58
41 A 67 PRO P h > > T - 0 0 -57.6 131.4 -179.1 -126.9 29.8 110.4 0 0.0 44 -1.8 0 0.0 45 -1.0 9 50
42 A 68 SER S H H > 3 TS+ 0 0 -48.6 -39.5 -179.0 64.5 104.5 34.1 0 0.0 46 -2.0 0 0.0 0 0.0 8 50
43 A 69 ASP D H H > 3 TS+ 0 0 -59.6 -28.7 179.4 57.5 95.2 39.8 0 0.0 47 -2.1 0 0.0 0 0.0 9 52
44 A 70 VAL V H H > < TS+ 0 0 -68.0 -44.7 179.2 46.9 108.1 19.1 41 -1.8 48 -2.9 0 0.0 0 0.0 11 66
45 A 71 LEU L H H X TS+ 0 0 -62.8 -38.0 179.8 49.6 112.5 29.5 41 -1.0 49 -2.3 0 0.0 0 0.0 10 61
46 A 72 GLU E H H X TS+ 0 0 -69.4 -36.3 179.3 48.2 112.1 28.1 42 -2.0 50 -2.0 0 0.0 0 0.0 10 51
47 A 73 MET M H H X TS+ 0 0 -69.2 -41.2 178.3 51.7 110.0 24.5 43 -2.1 51 -1.3 0 0.0 0 0.0 11 58
48 A 74 TYR Y H H < >>TS+ 0 0 -59.0 -46.6 179.4 50.6 109.4 19.8 44 -2.9 53 -2.5 0 0.0 51 -0.8 13 59
49 A 75 LYS K H H < >5TS+ 0 0 -56.4 -42.3 -179.6 57.9 105.7 24.0 45 -2.3 52 -1.8 0 0.0 0 0.0 12 49
50 A 76 ALA A H H < 35TS+ 0 0 -60.2 -31.6 179.7 49.4 104.5 38.5 46 -2.0 0 0.0 0 0.0 0 0.0 8 48
51 A 77 ILE I T h < <5TS- 0 0 -94.3 15.8 178.7 -99.0 125.6 76.7 47 -1.3 0 0.0 48 -0.8 0 0.0 10 47
52 A 78 GLY G T T <5T + 0 0 81.2 14.6 -179.3 159.4 69.0 51.9 49 -1.8 0 0.0 0 0.0 0 0.0 9 38
53 A 79 GLY G t T - 0 0 -62.3 106.5 -179.0 -157.7 62.2 115.3 0 0.0 64 -2.2 0 0.0 0 0.0 11 34
62 A 88 ILE I G G > TS+ 0 0 -56.5 -32.1 -179.6 66.9 88.3 38.5 60 -0.6 65 -1.8 91 -0.5 0 0.0 16 46
63 A 89 THR T G G 3 TS+ 0 0 -68.1 -7.8 180.0 71.0 87.5 53.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
64 A 90 LYS K G G < TS+ 0 0 -89.8 9.0 179.7 110.1 76.4 71.7 61 -2.2 0 0.0 0 0.0 0 0.0 8 35
65 A 91 HIS H S g X TS- 0 0 -86.1 146.5 -178.8 -122.7 78.5 127.2 62 -1.8 68 -0.9 0 0.0 0 0.0 8 40
66 A 92 ILE I G G > > TS+ 0 0 -52.7 -43.3 -179.0 58.5 110.2 29.3 0 0.0 69 -1.7 0 0.0 70 -0.5 6 32
67 A 93 SER S G G 4 3 TS+ 0 0 -58.1 -35.7 179.9 35.7 114.7 34.7 0 0.0 0 0.0 0 0.0 0 0.0 6 42
68 A 94 LEU L G G 4 X TS+ 0 0 -104.7 18.3 -179.5 103.2 89.9 82.6 65 -0.9 71 -0.6 0 0.0 0 0.0 10 45
69 A 95 GLU E T g 4 < TS+ 0 0 -66.3 -42.8 -179.4 46.3 82.2 25.3 66 -1.7 0 0.0 0 0.0 0 0.0 8 28
70 A 96 ALA A T T < 3 TS+ 0 0 -79.6 -1.6 -179.2 135.1 84.8 61.9 66 -0.5 0 0.0 0 0.0 0 0.0 6 25
71 A 97 LEU L t < T - 0 0 -52.6 131.5 179.3 -119.9 58.5 102.0 68 -0.6 0 0.0 0 0.0 0 0.0 8 30
72 A 98 SER S g > > T - 0 0 -73.5 146.3 -179.5 -118.4 19.2 116.8 0 0.0 76 -0.7 0 0.0 75 -0.7 6 24
73 A 99 GLU E G G 4 > TS+ 0 0 -52.0 -38.3 -179.2 59.2 112.9 32.3 0 0.0 76 -0.9 0 0.0 0 0.0 6 20
74 A 100 ASP D G G 4 > TS+ 0 0 -60.4 -42.1 -179.5 52.7 101.3 26.8 0 0.0 77 -1.5 0 0.0 0 0.0 5 20
75 A 101 LYS K G G 4 < TS+ 0 0 -70.9 -13.0 179.2 76.5 90.8 51.2 72 -0.7 0 0.0 0 0.0 0 0.0 7 29
76 A 102 LYS K G e < < TS+ 0 0 -73.0 -7.6 179.0 87.1 79.2 55.5 73 -0.9 88 -2.4 72 -0.7 78 -0.7 11 33
77 A 103 LYS K E E BC < T + 87 0 -95.7 115.8 -178.1 172.6 64.5 148.8 74 -1.5 0 0.0 0 0.0 0 0.0 10 28
78 A 104 ILE I E E BC - 86 0 -126.8 159.1 177.7 -140.1 30.1 149.2 86 -2.3 86 -1.5 76 -0.7 0 0.0 9 37
79 A 105 LYS K E E BC - 85 0 -117.9 124.9 -179.6 -136.0 24.9 168.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
80 A 106 ASP D e > T - 0 0 -67.5 -175.6 -178.6 -82.1 40.2 87.2 84 -3.0 83 -1.7 0 0.0 0 0.0 9 45
81 A 107 ILE I T T 3 TS+ 0 0 -59.5 -34.3 -179.3 51.9 130.9 33.0 0 0.0 0 0.0 0 0.0 0 0.0 9 53
82 A 108 TYR Y T T 3 TS- 0 0 -84.3 1.0 179.5 -105.6 120.7 64.8 0 0.0 0 0.0 0 0.0 0 0.0 5 36
83 A 109 GLY G S t < TS+ 0 0 90.3 0.6 179.2 136.5 75.9 62.0 80 -1.7 0 0.0 0 0.0 0 0.0 6 31
84 A 110 LYS K e - 0 0 -82.4 142.7 179.9 -112.6 55.8 126.9 0 0.0 80 -3.0 0 0.0 0 0.0 7 21
85 A 111 ASP D E E BC + 79 0 -69.6 167.2 179.9 172.8 37.9 99.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
86 A 112 ALA A E E BC - 78 0 -170.7 152.3 179.9 -117.6 30.8 160.7 78 -1.5 78 -2.3 0 0.0 88 -0.5 10 28
87 A 113 LEU L E E >BC > T - 77 0 -104.1 127.0 -179.5 -138.3 17.5 152.3 0 0.0 90 -3.2 0 0.0 91 -1.0 9 31
88 A 114 LEU L G e 4 > TS+ 0 0 -49.1 -38.2 -179.4 60.9 105.7 32.4 76 -2.4 91 -0.7 86 -0.5 0 0.0 14 43
89 A 115 HIS H G G 4 3 TS+ 0 0 -67.7 -7.0 179.5 36.2 115.2 52.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
90 A 116 GLU E G G 4 < TS+ 0 0 -119.8 -6.2 -178.7 89.0 105.7 66.0 87 -3.2 0 0.0 0 0.0 0 0.0 7 32
91 A 117 HIS H g < < T - 0 0 -92.6 170.5 -179.1 -141.9 65.5 113.2 87 -1.0 62 -0.5 88 -0.7 0 0.0 10 45
92 A 118 TYR Y S e S+ 0 0 -110.2 -6.2 179.6 36.6 77.0 61.4 0 0.0 106 -3.3 0 0.0 0 0.0 11 53
93 A 119 VAL V E E AD + 105 0 -148.6 152.5 177.4 166.1 50.4 176.1 0 0.0 0 0.0 0 0.0 0 0.0 13 61
94 A 120 TYR Y E E AD - 104 0 -165.8 133.1 179.2 -151.6 20.4 151.9 104 -1.6 104 -2.6 0 0.0 96 -0.7 10 66
95 A 121 ALA A E E AD - 103 0 -110.7 110.4 -179.5 -147.1 19.8 156.7 0 0.0 97 -0.5 0 0.0 0 0.0 12 65
96 A 122 LYS K E E AD - 102 0 -80.9 122.9 179.6 -144.7 12.2 131.2 102 -2.8 102 -1.4 94 -0.7 0 0.0 8 52
97 A 123 GLU E + 0 0 -76.5 167.5 179.1 81.7 48.2 104.8 95 -0.5 0 0.0 0 0.0 0 0.0 9 43
98 A 124 GLY G S S S- 0 0 124.2 168.3 -178.8 -57.1 92.2 120.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
99 A 125 TYR Y S S S+ 0 0 -63.4 -8.5 176.7 41.6 135.0 55.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25
100 A 126 GLU E S S S- 0 0 -137.2 68.3 -179.6 -164.8 91.2 125.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
101 A 127 PRO P e - 0 0 -57.8 145.1 -179.5 -174.2 7.4 100.9 0 0.0 54 -1.1 0 0.0 0 0.0 13 48
102 A 128 VAL V E E AbD - 54 96 -143.8 148.2 177.7 -154.2 17.1 171.6 96 -1.4 96 -2.8 0 0.0 0 0.0 12 54
103 A 129 LEU L E E AbD - 55 95 -124.5 127.4 179.8 -165.2 12.1 173.8 54 -2.2 56 -3.1 0 0.0 0 0.0 12 65
104 A 130 VAL V E E AbD - 56 94 -118.5 126.9 -179.2 -176.5 6.5 164.1 94 -2.6 94 -1.6 0 0.0 0 0.0 13 61
105 A 131 ILE I E E AbD - 57 93 -126.4 130.6 178.9 -132.1 24.4 169.2 56 -3.0 58 -2.6 0 0.0 107 -0.6 13 60
106 A 132 GLN Q E E Ab - 58 0 -80.1 118.3 -178.7 -114.1 37.6 133.1 92 -3.3 0 0.0 0 0.0 0 0.0 12 57
107 A 133 SER S e + 0 0 -60.0 128.3 179.4 157.3 47.9 107.1 58 -2.7 0 0.0 105 -0.6 0 0.0 11 50
108 A 134 SER S - 0 0 -148.0 155.6 -179.3 -149.9 38.7 168.0 0 0.0 0 0.0 0 0.0 0 0.0 7 44
109 A 135 GLU E S S S+ 0 0 -106.9 -3.4 -179.2 64.4 91.2 63.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
110 A 136 ASP D t > T + 0 0 -109.4 26.0 179.5 113.6 59.4 88.4 0 0.0 114 -4.1 0 0.0 0 0.0 6 29
111 A 137 TYR Y T T 4 TS+ 0 0 -65.3 -28.5 178.7 54.9 79.1 35.4 0 0.0 0 0.0 0 0.0 0 0.0 10 41
112 A 138 VAL V T T 4 TS+ 0 0 -70.6 -36.1 -179.9 35.9 117.4 29.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
113 A 139 GLU E T T 4 TS+ 0 0 -82.3 -48.4 -179.3 59.8 110.6 23.9 0 0.0 115 -2.0 0 0.0 0 0.0 5 22
114 A 140 ASN N h X > T + 0 0 -84.8 72.5 -178.5 172.0 65.9 119.9 110 -4.1 118 -1.7 0 0.0 117 -1.5 8 24
115 A 141 THR T H H > 3 T + 0 0 -53.1 -30.9 -180.0 62.9 69.4 42.7 113 -2.0 119 -2.8 0 0.0 0 0.0 10 34
116 A 142 GLU E H H > 3 TS+ 0 0 -68.7 -29.0 179.0 43.0 107.5 34.9 0 0.0 120 -1.1 0 0.0 0 0.0 6 37
117 A 143 LYS K H H > < TS+ 0 0 -83.1 -34.0 178.8 49.6 114.4 32.8 114 -1.5 121 -1.7 0 0.0 0 0.0 9 47
118 A 144 ALA A H H X TS+ 0 0 -67.8 -39.7 179.0 54.7 108.5 25.4 114 -1.7 122 -2.5 0 0.0 0 0.0 12 51
119 A 145 LEU L H H X TS+ 0 0 -59.0 -40.6 179.8 51.1 107.2 27.0 115 -2.8 123 -2.0 0 0.0 0 0.0 14 55
120 A 146 ASN N H H X TS+ 0 0 -67.4 -36.8 179.2 50.3 108.3 29.8 116 -1.1 124 -1.8 0 0.0 0 0.0 12 62
121 A 147 VAL V H H X TS+ 0 0 -66.2 -46.7 179.5 46.7 112.3 18.5 117 -1.7 125 -2.0 0 0.0 0 0.0 10 67
122 A 148 TYR Y H H X TS+ 0 0 -62.2 -33.6 178.2 56.2 109.6 30.1 118 -2.5 126 -2.9 0 0.0 0 0.0 13 63
123 A 149 TYR Y H H X TS+ 0 0 -64.7 -38.3 -179.7 47.5 107.7 28.0 119 -2.0 127 -1.2 0 0.0 0 0.0 14 63
124 A 150 GLU E H H X TS+ 0 0 -73.2 -31.2 178.8 48.0 113.0 33.7 120 -1.8 128 -1.4 0 0.0 0 0.0 12 63
125 A 151 ILE I H H X TS+ 0 0 -74.4 -37.1 178.6 54.7 108.3 27.2 121 -2.0 129 -2.2 0 0.0 0 0.0 11 69
126 A 152 GLY G H H X TS+ 0 0 -63.1 -27.8 179.5 53.7 106.2 35.8 122 -2.9 130 -2.1 0 0.0 0 0.0 13 67
127 A 153 LYS K H H X >TS+ 0 0 -74.0 -37.1 178.2 51.9 105.3 30.4 123 -1.2 131 -2.8 0 0.0 132 -0.7 14 56
128 A 154 ILE I H H X >TS+ 0 0 -63.9 -39.5 -179.5 51.7 110.1 24.6 124 -1.4 133 -2.3 0 0.0 132 -1.4 12 66
129 A 155 LEU L H H < >TS+ 0 0 -63.2 -51.4 -178.9 30.2 120.3 18.6 125 -2.2 134 -3.2 0 0.0 0 0.0 12 71
130 A 156 SER S H H < 5TS+ 0 0 -78.0 -40.9 -178.2 32.7 131.7 25.9 126 -2.1 0 0.0 0 0.0 0 0.0 15 57
131 A 157 ARG R H H < 5TS+ 0 0 -85.9 -38.2 -177.6 23.8 131.8 31.5 127 -2.8 0 0.0 0 0.0 0 0.0 10 52
132 A 158 ASP D T h < XTS+ 0 0 -53.2 -32.2 -179.4 67.5 106.2 37.6 129 -3.2 139 -2.0 0 0.0 137 -1.9 12 58
135 A 161 SER S G G >5TS+ 0 0 -61.9 -26.1 179.7 64.7 90.6 36.7 0 0.0 138 -1.4 0 0.0 0 0.0 10 51
136 A 162 LYS K G G <5TS+ 0 0 -70.8 -16.4 177.4 39.8 108.0 45.4 133 -1.9 0 0.0 0 0.0 0 0.0 8 44
137 A 163 ILE I G G <5TS- 0 0 -119.4 29.9 178.7 -99.1 124.0 92.2 134 -1.9 0 0.0 0 0.0 0 0.0 8 48
138 A 164 ASN N T g <5TS+ 0 0 58.5 38.4 178.6 172.9 70.7 34.5 135 -1.4 0 0.0 0 0.0 0 0.0 10 46
139 A 165 GLN Q t T - 0 0 -144.6 -140.6 -177.3 -24.7 60.5 118.7 0 0.0 145 -2.4 0 0.0 0 0.0 12 55
142 A 168 GLN Q H H > TS+ 0 0 -51.5 -43.4 -179.7 56.0 126.9 33.1 0 0.0 146 -2.1 0 0.0 0 0.0 10 49
143 A 169 LYS K H H > TS+ 0 0 -57.1 -49.7 -179.9 41.9 112.5 17.0 0 0.0 147 -1.2 0 0.0 0 0.0 9 52
144 A 170 PHE F H H > TS+ 0 0 -64.5 -39.5 179.4 59.4 109.7 25.8 0 0.0 148 -2.2 0 0.0 0 0.0 9 62
145 A 171 LEU L H H X TS+ 0 0 -56.6 -37.9 179.7 56.4 99.9 30.2 141 -2.4 149 -2.9 0 0.0 0 0.0 12 53
146 A 172 ASP D H H X TS+ 0 0 -61.4 -40.0 179.0 51.3 106.0 25.4 142 -2.1 150 -2.3 0 0.0 0 0.0 8 43
147 A 173 VAL V H H X TS+ 0 0 -60.9 -49.5 179.8 49.6 109.7 17.0 143 -1.2 151 -1.2 0 0.0 0 0.0 11 50
148 A 174 LEU L H H X > TS+ 0 0 -53.8 -53.7 -179.8 45.8 113.1 17.7 144 -2.2 152 -2.3 0 0.0 151 -1.2 10 60
149 A 175 ASN N H H X 3 TS+ 0 0 -60.6 -33.7 179.1 56.3 108.1 33.8 145 -2.9 153 -1.1 0 0.0 0 0.0 10 47
150 A 176 THR T H H < 3 TS+ 0 0 -70.6 -18.4 179.7 48.3 110.6 43.6 146 -2.3 0 0.0 0 0.0 0 0.0 9 39
151 A 177 ILE I H H < X TS+ 0 0 -86.0 -46.8 -179.3 45.6 110.9 26.5 148 -1.2 154 -1.2 147 -1.2 0 0.0 13 47
152 A 178 LYS K H H < 3 TS+ 0 0 -73.4 -11.6 179.6 44.3 119.2 51.2 148 -2.3 0 0.0 0 0.0 0 0.0 11 39
153 A 179 ASN N T h < 3 TS+ 0 0 -117.7 20.3 178.7 119.9 85.6 84.0 149 -1.1 0 0.0 0 0.0 0 0.0 7 32
154 A 180 ALA A S t < TS- 0 0 -83.4 151.5 -179.5 -111.3 76.5 124.1 151 -1.2 0 0.0 0 0.0 0 0.0 7 31
155 A 181 SER S S S S+ 0 0 -45.0 -57.5 -179.7 50.7 105.0 22.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
156 A 182 ASP D S S S- 0 0 -88.3 137.7 179.6 -146.9 73.6 132.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
157 A 183 SER S S h > TS+ 0 0 -88.2 21.2 178.6 109.4 71.5 82.1 0 0.0 161 -2.0 0 0.0 0 0.0 10 31
158 A 184 ASP D H H > TS+ 0 0 -57.1 -58.6 -179.5 49.8 75.6 13.7 0 0.0 162 -1.9 0 0.0 0 0.0 8 31
159 A 185 GLY G H H > TS+ 0 0 -50.2 -43.4 180.0 52.4 108.7 31.7 210 -0.9 163 -2.5 0 0.0 0 0.0 14 43
160 A 186 GLN Q H H > TS+ 0 0 -59.8 -51.0 -179.9 51.1 107.5 18.2 0 0.0 164 -2.8 0 0.0 0 0.0 12 46
161 A 187 ASP D H H < TS+ 0 0 -54.3 -37.4 -178.9 43.9 115.9 31.9 157 -2.0 0 0.0 0 0.0 0 0.0 8 37
162 A 188 LEU L H H < TS+ 0 0 -80.3 -34.6 -176.9 14.1 131.7 34.3 158 -1.9 0 0.0 0 0.0 0 0.0 8 46
163 A 189 LEU L H H < TS+ 0 0 -118.1 -21.7 -177.7 83.5 103.8 47.0 159 -2.5 0 0.0 0 0.0 0 0.0 9 60
164 A 190 PHE F h < T - 0 0 -94.9 144.0 177.6 -147.4 57.1 131.5 160 -2.8 0 0.0 0 0.0 0 0.0 11 51
165 A 191 THR T h > T - 0 0 -86.1 -172.5 179.3 -94.2 40.9 99.8 0 0.0 169 -1.7 0 0.0 0 0.0 8 37
166 A 192 ASN N H H > TS+ 0 0 -73.3 -38.9 179.5 62.5 123.3 26.1 0 0.0 170 -2.7 0 0.0 0 0.0 6 25
167 A 193 GLN Q H H 4 TS+ 0 0 -52.2 -38.0 -179.0 41.9 109.6 31.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
168 A 194 LEU L H H 4 > TS+ 0 0 -78.8 -45.3 -179.8 48.9 113.3 25.6 0 0.0 171 -1.1 0 0.0 0 0.0 8 45
169 A 195 LYS K H H < 3 TS+ 0 0 -62.4 -41.0 -178.9 56.8 107.3 25.6 165 -1.7 0 0.0 0 0.0 0 0.0 9 31
170 A 196 GLU E T h < 3 TS+ 0 0 -69.3 -7.2 -179.9 119.9 77.0 56.5 166 -2.7 0 0.0 0 0.0 0 0.0 6 23
171 A 197 HIS H t < T - 0 0 -64.0 124.3 -179.6 -153.5 55.3 116.5 168 -1.1 0 0.0 0 0.0 0 0.0 8 29
172 A 198 PRO P S S S+ 0 0 -69.3 -29.0 -179.4 28.7 73.9 41.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
173 A 199 THR T S S S- 0 0 -120.9 -171.6 179.0 -69.0 101.0 120.8 0 0.0 0 0.0 0 0.0 0 0.0 4 22
174 A 200 ASP D - 0 0 -79.8 155.4 -179.8 -91.9 60.4 118.3 0 0.0 176 -0.5 0 0.0 0 0.0 7 32
175 A 201 PHE F - 0 0 -71.8 116.3 179.8 -168.1 50.5 124.7 0 0.0 0 0.0 0 0.0 0 0.0 11 43
176 A 202 SER S h > > T - 0 0 -101.2 167.4 179.3 -101.0 39.4 125.3 174 -0.5 180 -2.0 0 0.0 179 -0.5 7 38
177 A 203 VAL V H H > 3 TS+ 0 0 -56.2 -28.0 179.0 59.0 124.6 37.2 0 0.0 181 -1.4 0 0.0 0 0.0 9 45
178 A 204 GLU E H H > 3 TS+ 0 0 -67.9 -43.1 179.4 49.3 103.5 23.3 0 0.0 182 -1.1 0 0.0 0 0.0 7 35
179 A 205 PHE F H H 4 X TS+ 0 0 -61.3 -45.6 -179.8 51.5 109.5 22.2 176 -0.5 182 -0.7 0 0.0 0 0.0 8 31
180 A 206 LEU L H H < > TS+ 0 0 -61.1 -32.0 -179.3 56.4 105.9 34.3 176 -2.0 183 -0.7 0 0.0 0 0.0 12 39
181 A 207 GLU E H H < 3 TS+ 0 0 -72.3 -27.0 179.9 34.8 116.1 38.8 177 -1.4 0 0.0 0 0.0 0 0.0 7 33
182 A 208 GLN Q T h < < TS+ 0 0 -114.2 20.1 178.8 42.3 124.3 83.0 178 -1.1 0 0.0 179 -0.7 0 0.0 6 22
183 A 209 ASN N h > < T + 0 0 -152.5 34.5 -178.8 139.5 65.9 94.5 180 -0.7 187 -2.2 0 0.0 0 0.0 8 35
184 A 210 SER S H H > TS+ 0 0 -52.9 -40.3 179.1 55.4 73.6 30.2 0 0.0 188 -3.2 0 0.0 0 0.0 8 41
185 A 211 ASN N H H > TS+ 0 0 -59.4 -45.8 -179.9 48.3 108.6 20.9 0 0.0 189 -2.0 0 0.0 0 0.0 7 45
186 A 212 GLU E H H > TS+ 0 0 -61.1 -45.7 -179.9 42.8 115.5 24.7 0 0.0 190 -2.2 0 0.0 0 0.0 9 48
187 A 213 VAL V H H X TS+ 0 0 -66.9 -48.0 179.1 50.3 114.0 20.0 183 -2.2 191 -2.5 0 0.0 0 0.0 9 56
188 A 214 GLN Q H H X TS+ 0 0 -57.5 -34.2 -179.2 53.0 111.0 30.5 184 -3.2 192 -2.3 0 0.0 0 0.0 12 55
189 A 215 GLU E H H X TS+ 0 0 -67.9 -50.9 179.8 46.9 107.4 19.7 185 -2.0 193 -2.7 0 0.0 0 0.0 10 59
190 A 216 VAL V H H X TS+ 0 0 -58.7 -40.5 179.5 52.7 112.6 26.0 186 -2.2 194 -3.0 0 0.0 0 0.0 10 67
191 A 217 PHE F H H X TS+ 0 0 -58.9 -54.1 179.8 46.4 109.8 15.1 187 -2.5 195 -3.1 0 0.0 0 0.0 11 68
192 A 218 ALA A H H X TS+ 0 0 -54.4 -44.0 -180.0 51.9 112.9 24.4 188 -2.3 196 -2.9 0 0.0 0 0.0 15 64
193 A 219 LYS K H H X TS+ 0 0 -59.3 -51.0 179.8 44.6 111.3 19.6 189 -2.7 197 -2.4 0 0.0 0 0.0 12 66
194 A 220 ALA A H H X TS+ 0 0 -60.1 -44.9 179.2 52.8 113.1 21.2 190 -3.0 198 -1.7 0 0.0 0 0.0 13 68
195 A 221 PHE F H H X TS+ 0 0 -54.7 -49.5 -178.8 49.7 109.4 20.4 191 -3.1 199 -2.2 0 0.0 0 0.0 12 68
196 A 222 ALA A H H X TS+ 0 0 -58.5 -51.1 180.0 49.4 108.4 22.6 192 -2.9 200 -2.6 0 0.0 0 0.0 14 60
197 A 223 TYR Y H H < TS+ 0 0 -60.0 -29.9 179.9 48.9 114.0 34.8 193 -2.4 0 0.0 0 0.0 0 0.0 14 57
198 A 224 TYR Y H H < TS+ 0 0 -77.3 -37.9 -179.1 44.8 113.2 31.0 194 -1.7 0 0.0 0 0.0 0 0.0 13 54
199 A 225 ILE I H H < TS+ 0 0 -74.3 -43.7 179.0 80.0 93.9 25.2 195 -2.2 0 0.0 0 0.0 0 0.0 12 56
200 A 226 GLU E S h X > TS- 0 0 -66.6 106.4 -179.4 -147.4 78.7 122.6 196 -2.6 203 -1.7 0 0.0 204 -1.0 13 45
201 A 227 PRO P H H > > TS+ 0 0 -42.7 -51.5 -179.6 50.2 94.6 30.6 0 0.0 204 -1.0 0 0.0 205 -0.5 8 40
202 A 228 GLN Q H H 4 3 TS+ 0 0 -63.1 -23.8 -179.3 49.0 113.0 42.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30
203 A 229 HIS H H H > < TS+ 0 0 -93.4 -9.6 -178.8 86.0 86.4 55.4 200 -1.7 207 -1.8 0 0.0 0 0.0 11 43
204 A 230 ARG R H H X < TS+ 0 0 -59.0 -41.3 179.9 51.8 88.0 27.7 201 -1.0 208 -2.5 200 -1.0 0 0.0 12 41
205 A 231 ASP D H H X TS+ 0 0 -63.7 -42.7 179.5 53.8 105.8 25.4 201 -0.5 209 -2.5 0 0.0 0 0.0 8 29
206 A 232 VAL V H H > TS+ 0 0 -57.3 -46.6 179.9 47.0 110.8 21.1 0 0.0 210 -2.7 0 0.0 0 0.0 9 35
207 A 233 LEU L H H X TS+ 0 0 -58.9 -54.1 -179.8 46.3 114.0 15.9 203 -1.8 211 -3.0 0 0.0 0 0.0 15 44
208 A 234 GLN Q H H < TS+ 0 0 -58.5 -31.8 -179.0 51.5 114.7 34.0 204 -2.5 0 0.0 0 0.0 0 0.0 12 39
209 A 235 LEU L H H < TS+ 0 0 -73.6 -49.5 -178.7 18.7 125.1 21.2 205 -2.5 0 0.0 0 0.0 0 0.0 7 32
210 A 236 TYR Y H H < TS+ 0 0 -97.5 -21.6 179.8 35.5 134.5 47.1 206 -2.7 159 -0.9 0 0.0 0 0.0 9 35
211 A 237 ALA A h X T + 0 0 -134.2 73.3 -179.7 164.8 62.6 126.5 207 -3.0 215 -2.1 0 0.0 0 0.0 14 44
212 A 238 PRO P H H > TS+ 0 0 -53.3 -52.1 -179.7 51.1 78.0 24.1 0 0.0 216 -2.7 0 0.0 0 0.0 10 41
213 A 239 GLU E H H > TS+ 0 0 -57.0 -39.9 179.7 50.2 109.8 29.6 0 0.0 217 -2.3 0 0.0 0 0.0 10 45
214 A 240 ALA A H H > TS+ 0 0 -66.5 -41.0 179.8 49.6 111.1 25.2 0 0.0 218 -2.4 0 0.0 0 0.0 13 55
215 A 241 PHE F H H X TS+ 0 0 -63.7 -45.7 -179.8 48.3 111.0 22.6 211 -2.1 219 -2.3 0 0.0 0 0.0 13 45
216 A 242 ASN N H H X TS+ 0 0 -60.9 -45.5 179.4 50.0 111.9 22.8 212 -2.7 220 -2.7 0 0.0 0 0.0 9 38
217 A 243 TYR Y H H X TS+ 0 0 -58.7 -50.4 -179.7 42.7 114.7 20.2 213 -2.3 221 -1.8 0 0.0 0 0.0 10 48
218 A 244 MET M H H X TS+ 0 0 -67.5 -30.2 -179.9 55.5 112.5 35.8 214 -2.4 222 -2.3 0 0.0 0 0.0 11 57
219 A 245 ASP D H H X TS+ 0 0 -68.1 -47.3 -179.0 39.8 112.7 18.3 215 -2.3 223 -0.7 0 0.0 0 0.0 9 40
220 A 246 LYS K H H X >TS+ 0 0 -73.0 -25.4 -179.9 52.5 117.0 38.1 216 -2.7 225 -2.0 0 0.0 224 -0.6 9 31
221 A 247 PHE F H H < >>TS+ 0 0 -75.0 -51.9 -179.0 40.3 111.8 18.0 217 -1.8 226 -2.9 0 0.0 224 -0.6 9 44
222 A 248 ASN N H H < 35TS+ 0 0 -75.6 -7.4 -179.1 53.5 116.0 56.9 218 -2.3 0 0.0 0 0.0 0 0.0 9 45
223 A 249 GLU E H H < 35TS- 0 0 -103.3 -12.7 -179.6 -29.4 136.9 53.9 219 -0.7 0 0.0 0 0.0 0 0.0 8 24
224 A 250 GLN Q T h X X5TS+ 0 0 -166.8 -49.8 -178.6 71.5 120.5 73.8 220 -0.6 227 -1.7 221 -0.6 228 -0.5 8 26
225 A 251 GLU E H H > > 3 < TS+ 0 0 -58.6 -32.8 179.6 49.8 99.0 31.7 224 -1.7 231 -1.8 0 0.0 0 0.0 8 42
228 A 254 LEU L H H X < TS+ 0 0 -75.9 -28.9 178.4 57.5 105.0 36.1 225 -1.5 232 -2.4 224 -0.5 0 0.0 8 51
229 A 255 SER S H H X TS+ 0 0 -65.0 -44.9 179.7 47.2 107.6 20.9 225 -1.0 233 -2.5 0 0.0 0 0.0 9 55
230 A 256 LEU L H H X TS+ 0 0 -61.4 -44.4 -179.1 52.4 111.2 21.8 226 -2.3 234 -2.8 0 0.0 0 0.0 12 47
231 A 257 GLU E H H X TS+ 0 0 -59.6 -43.0 -179.9 45.6 111.1 25.7 227 -1.8 235 -1.5 0 0.0 0 0.0 8 52
232 A 258 GLU E H H < TS+ 0 0 -69.4 -35.9 179.1 52.8 111.4 28.0 228 -2.4 0 0.0 0 0.0 0 0.0 9 56
233 A 259 LEU L H H X > TS+ 0 0 -63.1 -46.7 179.7 49.2 109.2 18.6 229 -2.5 236 -1.8 0 0.0 237 -0.6 11 46
234 A 260 LYS K H H < > TS+ 0 0 -60.9 -32.4 -179.4 64.6 101.5 33.5 230 -2.8 237 -1.1 0 0.0 0 0.0 10 45
235 A 261 ASP D T h < 3 TS+ 0 0 -70.1 -4.3 178.8 57.7 96.9 59.3 231 -1.5 0 0.0 0 0.0 0 0.0 11 43
236 A 262 GLN Q T T 4 < TS+ 0 0 -95.2 -22.5 -176.9 95.1 86.9 48.5 233 -1.8 0 0.0 0 0.0 0 0.0 8 36
237 A 263 ARG R h X < T - 0 0 -80.8 122.9 -179.5 -148.8 66.0 127.4 234 -1.1 241 -2.5 233 -0.6 0 0.0 8 30
238 A 264 MET M H H > TS+ 0 0 -51.1 -51.8 -178.3 43.0 98.9 25.3 0 0.0 242 -1.9 0 0.0 0 0.0 7 22
239 A 265 LEU L H H > TS+ 0 0 -69.1 -32.6 178.4 52.4 112.3 35.8 0 0.0 243 -1.6 0 0.0 0 0.0 6 21
240 A 266 SER S H H > TS+ 0 0 -69.3 -40.0 180.0 49.4 110.3 25.5 0 0.0 244 -1.9 0 0.0 0 0.0 10 30
241 A 267 ARG R H H X TS+ 0 0 -63.9 -43.9 -178.8 44.6 113.8 26.1 237 -2.5 245 -2.0 0 0.0 0 0.0 12 33
242 A 268 TYR Y H H X TS+ 0 0 -73.7 -27.3 178.8 54.9 110.2 37.5 238 -1.9 246 -2.0 0 0.0 0 0.0 8 27
243 A 269 GLU E H H X TS+ 0 0 -70.9 -41.3 179.4 45.3 110.9 26.9 239 -1.6 247 -1.7 0 0.0 0 0.0 8 27
244 A 270 LYS K H H X TS+ 0 0 -67.0 -43.2 179.0 51.0 113.1 24.2 240 -1.9 248 -2.0 0 0.0 0 0.0 9 43
245 A 271 TRP W H H X TS+ 0 0 -60.0 -42.7 -178.6 50.6 110.0 27.7 241 -2.0 249 -2.1 0 0.0 0 0.0 11 43
246 A 272 GLU E H H X TS+ 0 0 -69.0 -34.7 178.6 50.6 107.7 34.1 242 -2.0 250 -2.1 0 0.0 0 0.0 8 33
247 A 273 LYS K H H X TS+ 0 0 -69.2 -42.9 180.0 45.7 113.5 22.0 243 -1.7 251 -2.6 0 0.0 0 0.0 10 37
248 A 274 ILE I H H X TS+ 0 0 -66.3 -36.6 179.5 52.3 112.2 28.4 244 -2.0 252 -1.6 0 0.0 0 0.0 9 48
249 A 275 LYS K H H < TS+ 0 0 -64.0 -42.9 -179.7 47.9 110.6 24.1 245 -2.1 0 0.0 0 0.0 0 0.0 9 41
250 A 276 GLN Q H H < > TS+ 0 0 -64.2 -44.9 179.4 55.7 107.3 23.7 246 -2.1 253 -1.6 0 0.0 0 0.0 7 33
251 A 277 HIS H H H < 3 TS+ 0 0 -56.6 -37.5 -179.3 38.7 115.2 30.2 247 -2.6 0 0.0 0 0.0 0 0.0 10 40
252 A 278 TYR Y T h X 3 TS+ 0 0 -97.6 11.4 -177.2 107.7 85.3 75.0 248 -1.6 256 -3.1 0 0.0 0 0.0 10 41
253 A 279 GLN Q H H > < TS+ 0 0 -58.9 -47.6 179.1 43.8 80.9 24.7 250 -1.6 257 -3.0 0 0.0 0 0.0 8 30
254 A 280 HIS H H H > TS+ 0 0 -63.7 -44.3 178.8 51.6 114.3 19.2 0 0.0 258 -1.8 0 0.0 0 0.0 7 26
255 A 281 TRP W H H 4 TS+ 0 0 -55.1 -49.4 -179.9 45.4 113.6 18.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
256 A 282 SER S H H < > TS+ 0 0 -61.9 -47.6 -179.9 50.6 111.2 21.6 252 -3.1 259 -1.4 0 0.0 0 0.0 8 38
257 A 283 ASP D H H < 3 TS+ 0 0 -63.3 -24.1 -179.4 51.9 110.2 40.7 253 -3.0 0 0.0 0 0.0 0 0.0 6 22
258 A 284 SER S T h < 3 TS+ 0 0 -92.1 -1.6 179.1 121.3 81.0 61.2 254 -1.8 0 0.0 0 0.0 0 0.0 6 25
259 A 285 LEU L t < T - 0 0 -62.0 138.6 179.2 -143.3 53.6 110.1 256 -1.4 0 0.0 0 0.0 0 0.0 8 30
260 A 286 SER S h > T - 0 0 -92.9 -178.2 178.8 -102.5 27.0 108.5 0 0.0 264 -2.0 0 0.0 0 0.0 6 23
261 A 287 GLU E H H > TS+ 0 0 -70.9 -39.5 180.0 49.5 124.2 27.1 0 0.0 265 -2.1 0 0.0 0 0.0 6 18
262 A 288 GLU E H H > TS+ 0 0 -66.3 -41.4 179.2 51.7 108.9 28.3 0 0.0 266 -1.9 0 0.0 0 0.0 6 24
263 A 289 GLY G H H > TS+ 0 0 -60.6 -50.8 179.2 46.9 111.3 17.0 0 0.0 267 -2.1 0 0.0 0 0.0 10 33
264 A 290 ARG R H H X TS+ 0 0 -58.0 -40.8 178.7 57.0 108.6 27.4 260 -2.0 268 -1.9 0 0.0 0 0.0 9 33
265 A 291 GLY G H H X TS+ 0 0 -58.7 -40.1 179.3 49.1 106.6 28.1 261 -2.1 269 -2.1 0 0.0 0 0.0 8 32
266 A 292 LEU L H H X TS+ 0 0 -65.9 -47.0 179.7 50.9 108.7 22.6 262 -1.9 270 -1.4 0 0.0 0 0.0 10 42
267 A 293 LEU L H H X TS+ 0 0 -59.3 -34.1 179.5 53.2 110.7 29.7 263 -2.1 271 -1.0 0 0.0 0 0.0 9 52
268 A 294 LYS K H H X > TS+ 0 0 -65.3 -60.2 -178.7 43.0 109.0 11.7 264 -1.9 272 -2.1 0 0.0 271 -1.3 8 38
269 A 295 LYS K H H < 3 TS+ 0 0 -62.1 -18.5 178.4 63.8 107.6 43.1 265 -2.1 0 0.0 0 0.0 0 0.0 10 34
270 A 296 LEU L H H < 3 TS+ 0 0 -70.5 -35.8 179.8 40.4 108.7 31.3 266 -1.4 0 0.0 0 0.0 0 0.0 10 49
271 A 297 GLN Q H H < < TS+ 0 0 -80.7 -35.8 -179.7 36.3 124.9 33.9 268 -1.3 0 0.0 267 -1.0 0 0.0 6 40
272 A 298 ILE I S h < TS- 0 0 -127.5 106.2 179.9 -140.4 81.8 155.0 268 -2.1 0 0.0 0 0.0 0 0.0 7 25
273 A 299 PRO P - 0 0 -56.8 156.4 180.0 -119.0 20.1 97.0 0 0.0 275 -0.7 0 0.0 0 0.0 10 30
274 A 300 ILE I B B A - 338 0 -105.8 109.6 179.2 -144.6 24.1 153.1 338 -1.8 338 -2.8 0 0.0 0 0.0 8 29
275 A 301 GLU E - 0 0 -68.7 152.8 180.0 -93.6 31.6 109.4 273 -0.7 0 0.0 0 0.0 0 0.0 7 29
276 A 302 PRO P - 0 0 -68.9 143.3 179.7 -124.2 37.4 113.1 0 0.0 0 0.0 0 0.0 0 0.0 10 31
277 A 303 LYS K h > T - 0 0 -93.3 132.1 180.0 -144.5 4.5 140.1 0 0.0 281 -2.1 0 0.0 0 0.0 6 29
278 A 304 LYS K H H > TS+ 0 0 -55.9 -52.0 -179.6 55.0 101.7 20.0 0 0.0 282 -2.9 0 0.0 0 0.0 7 33
279 A 305 ASP D H H > TS+ 0 0 -52.9 -32.1 179.9 48.8 110.1 36.6 0 0.0 283 -1.2 0 0.0 0 0.0 6 22
280 A 306 ASP D H H 4 TS+ 0 0 -75.8 -45.2 -179.7 43.5 113.4 24.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
281 A 307 ILE I H H < > TS+ 0 0 -66.0 -50.5 -179.7 51.0 113.2 18.5 277 -2.1 284 -1.7 0 0.0 0 0.0 11 39
282 A 308 ILE I H H X > TS+ 0 0 -53.5 -47.1 -179.1 56.9 104.9 25.0 278 -2.9 285 -2.1 0 0.0 286 -1.1 11 34
283 A 309 HIS H T h < 3 TS+ 0 0 -63.3 -10.8 180.0 61.6 99.7 53.0 279 -1.2 0 0.0 0 0.0 0 0.0 7 25
284 A 310 SER S T T 4 < TS+ 0 0 -93.2 -6.8 179.4 45.4 105.9 58.6 281 -1.7 0 0.0 0 0.0 0 0.0 6 31
285 A 311 LEU L T T > < T + 0 0 -95.1 -72.1 177.9 137.6 68.7 28.7 282 -2.1 287 -1.3 0 0.0 289 -0.5 9 31
286 A 312 SER S T T < T + 0 0 66.4 -87.6 -178.6 37.7 63.5 115.2 282 -1.1 0 0.0 0 0.0 0 0.0 8 21
287 A 313 GLN Q T h > > TS- 0 0 -64.4 -119.4 -179.7 -22.0 133.3 36.6 285 -1.3 291 -1.3 0 0.0 290 -0.6 6 15
288 A 314 GLU E H H > 3 TS+ 0 0 -66.4 -31.2 179.8 70.8 129.9 35.2 0 0.0 292 -2.9 0 0.0 0 0.0 7 19
289 A 315 GLU E H H X 3 TS+ 0 0 -54.2 -39.5 178.4 44.2 101.7 29.1 285 -0.5 293 -1.6 0 0.0 0 0.0 8 32
290 A 316 LYS K H H > < TS+ 0 0 -70.9 -40.7 179.6 56.6 110.4 25.4 287 -0.6 294 -2.7 0 0.0 0 0.0 11 31
291 A 317 GLU E H H X TS+ 0 0 -53.9 -51.7 -179.7 48.0 106.9 21.1 287 -1.3 295 -1.0 0 0.0 0 0.0 8 29
292 A 318 LEU L H H < TS+ 0 0 -56.3 -48.6 -179.8 47.1 113.2 22.9 288 -2.9 0 0.0 0 0.0 0 0.0 9 34
293 A 319 LEU L H H < > TS+ 0 0 -60.8 -39.5 -179.6 76.8 98.5 28.0 289 -1.6 296 -0.8 0 0.0 0 0.0 8 47
294 A 320 LYS K H H < 3 TS+ 0 0 -37.2 -58.6 -178.1 22.5 106.2 33.1 290 -2.7 0 0.0 0 0.0 0 0.0 8 33
295 A 321 ARG R T h < 3 TS+ 0 0 -121.8 74.7 179.5 130.8 86.1 127.5 291 -1.0 0 0.0 0 0.0 0 0.0 6 29
296 A 322 ILE I t < T - 0 0 -127.8 141.2 178.7 -115.8 61.8 165.1 293 -0.8 298 -1.7 0 0.0 0 0.0 7 36
297 A 323 GLN Q g > T - 0 0 -72.8 89.3 -179.0 -179.6 37.9 123.8 0 0.0 300 -0.6 0 0.0 0 0.0 6 32
298 A 324 ILE I G G > TS+ 0 0 -55.8 -62.7 -178.6 54.3 72.1 15.3 296 -1.7 300 -2.6 0 0.0 301 -0.6 8 36
299 A 325 ASP D G G 3 TS+ 0 0 -72.6 50.0 -180.0 73.7 97.5 100.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
300 A 326 SER S G G < TS+ 0 0 -124.6 -56.3 -179.6 79.7 70.7 48.8 298 -2.6 0 0.0 297 -0.6 0 0.0 6 27
301 A 327 SER S g < T - 0 0 -58.6 152.6 179.7 -149.6 60.1 98.4 298 -0.6 0 0.0 0 0.0 0 0.0 9 32
302 A 328 ASP D S S S+ 0 0 -107.4 13.4 -179.4 82.2 85.5 80.6 0 0.0 0 0.0 0 0.0 0 0.0 5 37
303 A 329 PHE F S S S+ 0 0 -90.5 -19.2 -179.3 66.1 84.4 49.3 0 0.0 0 0.0 0 0.0 0 0.0 5 41
304 A 330 LEU L S S S- 0 0 -102.7 163.5 179.5 -133.9 74.2 126.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
305 A 331 SER S h > T - 0 0 -108.0 174.3 -179.9 -99.9 31.9 124.7 0 0.0 309 -2.0 0 0.0 0 0.0 7 29
306 A 332 THR T H H > TS+ 0 0 -59.1 -51.8 -179.7 46.9 125.3 17.6 0 0.0 310 -2.2 0 0.0 0 0.0 6 21
307 A 333 GLU E H H > TS+ 0 0 -59.8 -31.1 -179.5 49.0 115.1 34.8 0 0.0 311 -1.4 0 0.0 0 0.0 6 26
308 A 334 GLU E H H > TS+ 0 0 -80.7 -26.8 179.1 54.3 107.1 41.5 0 0.0 312 -1.6 0 0.0 0 0.0 10 34
309 A 335 LYS K H H X TS+ 0 0 -71.0 -48.8 180.0 49.5 107.9 19.7 305 -2.0 313 -3.7 0 0.0 0 0.0 11 34
310 A 336 GLU E H H X TS+ 0 0 -55.6 -49.5 -179.5 49.7 110.4 23.2 306 -2.2 314 -1.9 0 0.0 0 0.0 8 32
311 A 337 PHE F H H X TS+ 0 0 -57.3 -47.6 179.7 42.5 116.4 21.5 307 -1.4 315 -1.0 0 0.0 0 0.0 8 37
312 A 338 LEU L H H X > TS+ 0 0 -63.9 -52.5 179.8 51.5 112.4 16.1 308 -1.6 316 -1.4 0 0.0 315 -1.3 9 53
313 A 339 LYS K H H X 3 TS+ 0 0 -55.2 -27.2 179.9 53.4 109.8 37.3 309 -3.7 317 -1.2 0 0.0 0 0.0 9 35
314 A 340 LYS K H H < 3 TS+ 0 0 -79.1 -25.8 179.1 59.5 100.4 40.9 310 -1.9 0 0.0 0 0.0 0 0.0 8 31
315 A 341 LEU L H H < X TS+ 0 0 -70.3 -30.7 179.8 54.3 102.7 35.0 312 -1.3 318 -1.0 311 -1.0 0 0.0 10 39
316 A 342 GLN Q H H < > TS+ 0 0 -68.0 -47.0 179.9 55.2 101.8 20.6 312 -1.4 319 -1.9 0 0.0 0 0.0 9 35
317 A 343 ILE I T h < 3 TS+ 0 0 -73.2 20.5 179.6 55.9 106.9 79.0 313 -1.2 0 0.0 0 0.0 0 0.0 6 23
318 A 344 ASP D T T < T 0 0 -134.9 13.8 -179.9 999.9 999.9 81.6 315 -1.0 0 0.0 0 0.0 0 0.0 5 26
319!A 345 ILE I t < T 0 0 -107.5 999.9 999.9 999.9 999.9 138.5 316 -1.9 0 0.0 0 0.0 0 0.0 7 27
320!A 368 LEU L 0 0 999.9 147.4 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 24
321 A 369 SER S + 0 0 -129.6 30.5 179.8 74.4 999.9 90.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
322 A 370 GLU E S t > > TS- 0 0 -116.8 -145.8 179.5 -42.6 110.9 96.5 0 0.0 325 -1.8 0 0.0 326 -0.5 6 20
323 A 371 LYS K T T 4 3 TS+ 0 0 -66.3 1.8 180.0 68.4 130.9 62.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
324 A 372 GLU E T h > 3 TS+ 0 0 -93.0 -23.7 178.4 58.5 88.4 44.9 0 0.0 328 -0.6 0 0.0 0 0.0 9 32
325 A 373 LYS K H H > < TS+ 0 0 -76.7 -12.6 178.1 62.5 99.5 50.0 322 -1.8 329 -0.9 0 0.0 0 0.0 10 33
326 A 374 GLU E H H X TS+ 0 0 -77.0 -30.0 179.6 60.3 94.3 38.6 322 -0.5 330 -1.8 0 0.0 0 0.0 8 32
327 A 375 PHE F H H > TS+ 0 0 -67.6 -26.8 179.6 53.1 101.9 39.4 0 0.0 331 -1.8 0 0.0 0 0.0 8 43
328 A 376 LEU L H H X TS+ 0 0 -77.9 -31.3 179.0 56.5 103.2 35.7 324 -0.6 332 -2.2 0 0.0 0 0.0 8 52
329 A 377 LYS K H H X TS+ 0 0 -64.1 -47.2 179.2 43.5 111.0 19.4 325 -0.9 333 -0.9 0 0.0 0 0.0 11 43
330 A 378 LYS K H H X > TS+ 0 0 -61.9 -47.3 -178.9 49.6 114.9 21.2 326 -1.8 334 -0.9 0 0.0 333 -0.9 9 41
331 A 379 LEU L H H X 3 TS+ 0 0 -62.5 -33.5 -179.7 67.3 98.8 35.3 327 -1.8 335 -1.0 0 0.0 0 0.0 8 55
332 A 380 LYS K H H < 3 TS+ 0 0 -57.6 -34.3 -179.9 50.2 100.1 32.8 328 -2.2 0 0.0 0 0.0 0 0.0 10 52
333 A 381 LEU L H H < X TS+ 0 0 -72.9 -32.2 -178.7 53.4 108.4 33.6 330 -0.9 336 -0.7 329 -0.9 0 0.0 10 48
334 A 382 ASP D H H < 3 TS+ 0 0 -79.2 -13.4 -178.6 55.4 103.8 53.8 330 -0.9 0 0.0 0 0.0 0 0.0 7 48
335 A 383 ILE I T h < 3 TS+ 0 0 -105.2 9.4 179.4 116.2 76.1 71.2 331 -1.0 0 0.0 0 0.0 0 0.0 9 45
336 A 384 GLN Q S t < TS- 0 0 -77.8 145.7 179.7 -107.2 72.1 120.2 333 -0.7 0 0.0 0 0.0 0 0.0 8 44
337 A 385 PRO P - 0 0 -69.0 145.9 178.3 -108.2 34.1 115.3 0 0.0 339 -1.2 0 0.0 0 0.0 8 37
338 A 386 TYR Y B B A + 274 0 -76.5 103.6 -176.6 164.5 56.0 131.6 274 -2.8 274 -1.8 0 0.0 0 0.0 8 42
339 A 387 ASP D h > T - 0 0 -130.9 96.8 -178.5 -171.7 25.0 147.8 337 -1.2 343 -2.3 0 0.0 0 0.0 11 43
340 A 388 ILE I H H > TS+ 0 0 -52.4 -54.1 179.5 47.7 88.1 24.3 0 0.0 344 -2.0 0 0.0 0 0.0 11 52
341 A 389 ASN N H H > TS+ 0 0 -59.4 -33.5 -179.9 51.2 111.8 32.9 0 0.0 345 -1.8 0 0.0 0 0.0 9 55
342 A 390 GLN Q H H > TS+ 0 0 -70.4 -40.4 178.8 52.8 107.6 24.7 0 0.0 346 -3.2 0 0.0 0 0.0 8 51
343 A 391 ARG R H H X TS+ 0 0 -60.4 -40.9 -179.7 47.7 110.8 24.9 339 -2.3 347 -1.8 0 0.0 0 0.0 10 58
344 A 392 LEU L H H X >TS+ 0 0 -70.0 -35.0 179.6 46.4 114.0 30.8 340 -2.0 349 -1.1 0 0.0 348 -0.9 13 58
345 A 393 GLN Q H H < 5TS+ 0 0 -74.8 -37.7 180.0 51.1 111.5 27.8 341 -1.8 0 0.0 0 0.0 0 0.0 13 56
346 A 394 ASP D H H < 5TS+ 0 0 -66.4 -34.5 -178.0 36.2 119.3 29.2 342 -3.2 587 -1.1 0 0.0 0 0.0 10 59
347 A 395 THR T H H < >5TS- 0 0 -95.5 -7.9 -179.3 -126.1 102.7 59.7 343 -1.8 350 -1.3 0 0.0 0 0.0 12 51
348 A 396 GLY G T h < 35TS- 0 0 68.5 20.3 179.7 -50.3 77.0 42.8 344 -0.9 0 0.0 0 0.0 0 0.0 13 55
349 A 397 GLY G T T 3 T - 0 0 -57.9 150.1 -178.3 -115.6 44.5 100.0 0 0.0 361 -2.6 0 0.0 0 0.0 9 35
358 A 406 LEU L H H > TS+ 0 0 -53.8 -42.6 -179.8 57.5 111.5 32.0 0 0.0 362 -2.4 0 0.0 0 0.0 7 23
359 A 407 ASP D H H > TS+ 0 0 -58.4 -45.8 -179.6 36.4 114.7 22.6 0 0.0 363 -1.4 0 0.0 0 0.0 6 23
360 A 408 VAL V H H > TS+ 0 0 -76.8 -34.2 179.6 59.4 112.4 32.8 0 0.0 364 -2.5 0 0.0 0 0.0 8 38
361 A 409 ARG R H H X TS+ 0 0 -59.1 -44.0 -179.5 44.3 109.2 22.9 357 -2.6 365 -1.8 0 0.0 0 0.0 12 37
362 A 410 LYS K H H X TS+ 0 0 -69.4 -37.1 178.6 55.0 110.0 30.8 358 -2.4 366 -2.2 0 0.0 0 0.0 8 25
363 A 411 GLN Q H H X TS+ 0 0 -62.4 -44.5 179.2 46.8 110.2 21.7 359 -1.4 367 -2.1 0 0.0 0 0.0 8 35
364 A 412 TYR Y H H X TS+ 0 0 -64.4 -40.8 -179.5 52.3 110.6 27.9 360 -2.5 368 -2.5 0 0.0 0 0.0 11 44
365 A 413 LYS K H H X TS+ 0 0 -62.7 -44.1 178.6 48.3 109.8 24.9 361 -1.8 369 -2.7 0 0.0 0 0.0 10 39
366 A 414 ARG R H H X TS+ 0 0 -61.8 -49.9 180.0 46.1 113.7 18.4 362 -2.2 370 -2.6 0 0.0 0 0.0 8 33
367 A 415 ASP D H H X TS+ 0 0 -60.0 -43.2 -179.1 48.3 114.8 24.6 363 -2.1 371 -2.6 0 0.0 0 0.0 10 43
368 A 416 ILE I H H X TS+ 0 0 -65.5 -44.8 179.0 48.5 111.2 23.4 364 -2.5 372 -2.6 0 0.0 0 0.0 9 52
369 A 417 GLN Q H H X TS+ 0 0 -62.7 -40.4 178.9 49.8 113.0 23.0 365 -2.7 373 -1.4 0 0.0 0 0.0 8 34
370 A 418 ASN N H H X TS+ 0 0 -65.1 -40.6 178.8 48.6 110.7 22.1 366 -2.6 374 -1.8 0 0.0 0 0.0 8 36
371 A 419 ILE I H H X TS+ 0 0 -65.7 -39.5 179.6 57.5 106.2 25.9 367 -2.6 375 -2.0 0 0.0 0 0.0 11 51
372 A 420 ASP D H H < TS+ 0 0 -58.6 -35.0 -179.9 46.1 109.0 32.0 368 -2.6 0 0.0 0 0.0 0 0.0 10 41
373 A 421 ALA A H H < TS+ 0 0 -76.9 -34.6 178.9 55.7 108.4 32.8 369 -1.4 0 0.0 0 0.0 0 0.0 7 32
374 A 422 LEU L H H < TS+ 0 0 -63.7 -39.7 -179.0 61.1 100.0 29.8 370 -1.8 376 -1.6 0 0.0 0 0.0 8 43
375 A 423 LEU L h < T + 0 0 -89.5 69.8 -178.6 124.1 67.7 122.6 371 -2.0 0 0.0 0 0.0 0 0.0 11 51
376 A 424 HIS H + 0 0 -104.0 -16.0 -178.3 87.9 44.1 52.9 374 -1.6 378 -0.5 0 0.0 0 0.0 9 36
377 A 425 GLN Q - 0 0 -95.1 125.8 -179.4 -142.1 67.1 140.4 0 0.0 463 -2.2 0 0.0 0 0.0 8 38
378 A 426 SER S B B B - 462 0 -81.2 156.4 -177.3 -120.3 18.8 114.1 376 -0.5 0 0.0 0 0.0 0 0.0 9 45
379 A 427 ILE I S S S+ 0 0 -68.0 -27.8 179.7 120.9 73.2 41.7 461 -2.4 0 0.0 0 0.0 0 0.0 12 51
380 A 428 GLY G + 0 0 -41.7 129.1 -177.9 157.2 39.9 95.4 459 -2.3 0 0.0 0 0.0 0 0.0 8 36
381 A 429 SER S - 0 0 -154.2 163.9 178.4 -124.6 55.7 165.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
382 A 430 THR T S S S+ 0 0 -88.6 -7.2 -179.4 72.8 103.1 58.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
383 A 431 LEU L S S S+ 0 0 -82.1 -14.2 -178.9 9.5 107.8 51.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
384 A 432 TYR Y - 0 0 -161.5 160.7 178.6 -144.7 56.1 174.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
385 A 433 ASN N S S S+ 0 0 -98.7 -129.1 -179.6 14.5 76.8 71.0 0 0.0 0 0.0 0 0.0 0 0.0 6 31
386 A 434 LYS K S S S- 0 0 -51.8 119.5 179.5 -161.4 71.1 104.0 0 0.0 0 0.0 0 0.0 0 0.0 7 40
387 A 435 ILE I e - 0 0 -108.7 131.8 177.3 -162.8 5.1 154.4 0 0.0 457 -2.0 0 0.0 0 0.0 8 54
388 A 436 TYR Y E E CE - 456 0 -113.2 138.8 178.9 -170.7 7.0 157.4 0 0.0 0 0.0 0 0.0 0 0.0 9 61
389 A 437 LEU L E E CE - 455 0 -124.4 161.7 -175.3 -132.5 12.6 150.0 455 -2.7 455 -3.4 0 0.0 0 0.0 13 64
390 A 438 TYR Y E E CEC - 454 439 -124.9 153.2 179.8 -179.9 18.3 151.0 439 -2.4 439 -2.9 0 0.0 0 0.0 14 55
391 A 439 GLU E E E CE - 453 0 -151.8 126.8 178.2 -152.0 15.8 162.9 453 -1.8 453 -3.3 0 0.0 0 0.0 12 51
392 A 440 ASN N E E CE - 452 0 -95.7 132.1 -176.9 -172.5 28.9 147.7 0 0.0 0 0.0 0 0.0 0 0.0 12 43
393 A 441 MET M E E CE - 451 0 -134.9 144.6 177.1 -122.4 29.9 165.2 451 -2.1 451 -1.6 0 0.0 450 -0.7 10 46
394 A 442 ASN N g > T - 0 0 -79.4 125.0 -179.3 -141.8 23.8 134.0 0 0.0 397 -2.0 0 0.0 0 0.0 10 42
395 A 443 ILE I G G > > TS+ 0 0 -58.9 -27.9 179.9 73.5 96.2 37.1 0 0.0 399 -2.5 0 0.0 398 -2.1 12 51
396 A 444 ASN N G G 4 3 TS+ 0 0 -61.2 -12.3 179.9 65.6 86.2 51.4 0 0.0 0 0.0 0 0.0 0 0.0 12 39
397 A 445 ASN N G G 4 < TS+ 0 0 -79.9 -24.4 -179.9 33.6 111.9 42.3 394 -2.0 0 0.0 0 0.0 0 0.0 8 49
398 A 446 LEU L T g 4 < TS- 0 0 -96.1 -45.3 179.7 -10.4 143.5 34.5 395 -2.1 0 0.0 0 0.0 0 0.0 9 64
399 A 447 THR T h X T - 0 0 -162.8 102.0 -178.7 -172.3 51.0 133.4 395 -2.5 403 -2.2 0 0.0 0 0.0 13 58
400 A 448 ALA A H H > TS+ 0 0 -72.2 -13.5 179.9 63.8 86.5 50.6 623 -3.1 404 -0.6 0 0.0 0 0.0 12 43
401 A 449 THR T H H 4 TS+ 0 0 -77.5 -43.4 177.4 32.9 112.4 22.4 0 0.0 0 0.0 0 0.0 0 0.0 13 45
402 A 450 LEU L H H > > TS+ 0 0 -75.7 -33.2 -179.3 67.7 111.6 31.2 0 0.0 405 -1.7 0 0.0 406 -0.6 11 47
403 A 451 GLY G H H < 3 TS+ 0 0 -58.0 -20.4 -179.1 65.4 89.0 44.9 399 -2.2 0 0.0 0 0.0 0 0.0 10 44
404 A 452 ALA A T h < 3 TS+ 0 0 -74.7 -25.4 -179.3 26.4 115.1 40.2 400 -0.6 0 0.0 0 0.0 0 0.0 8 39
405 A 453 ASP D T T 4 < TS+ 0 0 -121.2 12.6 -179.3 102.1 90.1 78.3 402 -1.7 0 0.0 0 0.0 0 0.0 10 37
406 A 454 LEU L S t < TS+ 0 0 -64.4 -41.8 -179.3 65.2 73.9 25.0 402 -0.6 416 -2.8 0 0.0 0 0.0 10 44
407 A 455 VAL V B B D S- 415 0 -88.6 131.6 179.0 -104.2 98.7 134.8 0 0.0 0 0.0 0 0.0 0 0.0 12 40
408 A 456 ASP D - 0 0 -52.0 127.1 -178.8 -134.7 25.7 105.6 414 -2.2 0 0.0 0 0.0 0 0.0 11 27
409 A 457 SER S S S S+ 0 0 -57.0 -35.5 179.6 29.5 100.5 36.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
410 A 458 THR T S S S+ 0 0 -91.2 -51.9 -179.6 36.9 127.1 25.4 0 0.0 412 -0.7 0 0.0 0 0.0 4 15
411 A 459 ASP D t > T - 0 0 -107.9 101.2 -178.6 -171.1 62.2 148.7 0 0.0 414 -2.0 0 0.0 0 0.0 7 21
412 A 460 ASN N T T 3 TS+ 0 0 -67.1 -7.9 179.5 70.1 82.6 56.1 410 -0.7 0 0.0 0 0.0 0 0.0 9 27
413 A 461 THR T T T 3 TS+ 0 0 -83.0 -10.1 -178.7 73.5 94.5 53.8 0 0.0 493 -2.5 0 0.0 0 0.0 9 31
414 A 462 LYS K S t < TS- 0 0 -108.0 153.6 179.0 -138.2 73.6 138.8 411 -2.0 408 -2.2 0 0.0 0 0.0 9 40
415 A 463 ILE I B B D - 407 0 -108.7 133.5 178.8 -114.9 27.7 154.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
416 A 464 ASN N h > T - 0 0 -68.8 117.6 -179.6 -150.1 20.7 123.4 406 -2.8 420 -1.9 0 0.0 0 0.0 10 37
417 A 465 ARG R H H > TS+ 0 0 -59.0 -31.9 -179.4 59.8 91.1 38.0 0 0.0 421 -2.1 0 0.0 0 0.0 6 43
418 A 466 GLY G H H > TS+ 0 0 -65.2 -46.0 179.1 40.5 109.0 23.7 0 0.0 422 -1.2 0 0.0 0 0.0 6 25
419 A 467 ILE I H H > TS+ 0 0 -70.1 -34.9 179.6 59.8 111.8 31.3 0 0.0 423 -3.0 0 0.0 0 0.0 10 36
420 A 468 PHE F H H X TS+ 0 0 -57.6 -49.9 -179.5 47.0 104.8 21.1 416 -1.9 424 -2.3 0 0.0 0 0.0 10 43
421 A 469 ASN N H H X TS+ 0 0 -62.6 -33.0 179.8 49.6 113.7 34.0 417 -2.1 425 -1.5 0 0.0 0 0.0 8 35
422 A 470 GLU E H H < TS+ 0 0 -70.9 -47.4 179.4 48.8 110.5 20.4 418 -1.2 0 0.0 0 0.0 0 0.0 8 37
423 A 471 PHE F H H < TS+ 0 0 -57.7 -40.7 -177.8 44.6 116.2 28.5 419 -3.0 0 0.0 0 0.0 0 0.0 9 53
424 A 472 LYS K H H < > TS+ 0 0 -77.8 -28.2 -176.2 90.4 89.0 40.6 420 -2.3 427 -1.7 0 0.0 0 0.0 8 50
425 A 473 LYS K T h < 3 TS+ 0 0 -39.3 -62.8 -179.1 13.9 103.6 34.3 421 -1.5 0 0.0 0 0.0 0 0.0 6 35
426 A 474 ASN N T T 3 TS+ 0 0 -111.7 36.6 179.5 127.0 87.5 95.2 0 0.0 428 -1.1 0 0.0 0 0.0 8 38
427 A 475 PHE F t < T + 0 0 -94.6 94.1 -177.7 129.7 22.9 140.6 424 -1.7 0 0.0 0 0.0 0 0.0 11 49
428 A 476 LYS K e + 0 0 -119.1 -24.4 178.6 15.6 66.0 52.4 426 -1.1 481 -2.2 0 0.0 0 0.0 9 47
429 A 477 TYR Y E E CF - 480 0 -152.8 157.2 -175.6 -170.4 57.7 171.4 0 0.0 545 -2.0 0 0.0 0 0.0 13 54
430 A 478 SER S E E CF - 479 0 -148.0 155.6 -179.6 -148.5 8.7 166.8 479 -2.7 479 -2.5 0 0.0 0 0.0 15 69
431 A 479 ILE I E E CF - 478 0 -132.5 141.8 177.6 -150.3 5.5 170.2 541 -1.4 433 -0.6 0 0.0 0 0.0 15 62
432 A 480 SER S E E CF + 477 0 -111.1 112.9 178.5 173.1 16.6 159.8 477 -2.5 477 -1.8 0 0.0 476 -1.0 13 60
433 A 481 SER S + 0 0 -89.7 -21.2 178.8 48.6 69.4 46.7 431 -0.6 0 0.0 0 0.0 0 0.0 13 54
434 A 482 ASN N S S S- 0 0 -104.2 -169.5 -178.9 -71.6 107.6 110.2 0 0.0 436 -0.8 0 0.0 0 0.0 13 58
435 A 483 TYR Y - 0 0 -92.2 108.7 178.9 -139.4 45.1 139.4 0 0.0 0 0.0 0 0.0 0 0.0 11 65
436 A 484 MET M e - 0 0 -65.5 128.4 177.8 -153.6 8.6 115.4 434 -0.8 473 -2.8 0 0.0 438 -0.7 9 65
437 A 485 ILE I E E DG + 472 0 -106.4 107.8 -176.6 178.1 25.6 156.6 0 0.0 0 0.0 0 0.0 0 0.0 9 57
438 A 486 VAL V E E DG - 471 0 -114.7 158.4 179.6 -119.5 27.9 140.3 471 -2.5 471 -2.5 436 -0.7 0 0.0 11 56
439 A 487 ASP D E E DGC - 470 390 -94.7 138.2 177.9 -144.7 9.9 139.0 390 -2.9 390 -2.4 0 0.0 0 0.0 12 47
440 A 488 ILE I S e S+ 0 0 -65.6 -44.6 178.8 25.2 95.5 22.5 469 -2.6 0 0.0 0 0.0 0 0.0 12 55
441 A 489 ASN N S S S- 0 0 -118.5 141.9 -176.7 -94.6 105.9 161.3 0 0.0 0 0.0 0 0.0 0 0.0 10 50
442 A 490 GLU E - 0 0 -62.7 139.5 -179.4 -172.9 45.7 104.4 0 0.0 0 0.0 0 0.0 0 0.0 9 54
443 A 491 ARG R - 0 0 -130.6 159.8 -179.8 -77.5 30.8 153.5 0 0.0 0 0.0 0 0.0 0 0.0 6 44
444 A 492 PRO P - 0 0 -57.3 143.3 -179.0 -126.5 46.6 101.8 0 0.0 0 0.0 0 0.0 0 0.0 5 38
445 A 493 ALA A - 0 0 -92.8 159.4 177.3 -110.3 16.5 119.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
446 A 494 LEU L t > T - 0 0 -77.0 169.5 -178.6 -96.1 43.5 108.2 0 0.0 449 -1.6 0 0.0 0 0.0 6 29
447 A 495 ASP D T T 3 TS+ 0 0 -57.5 -46.0 -179.2 47.3 123.5 25.1 0 0.0 0 0.0 0 0.0 0 0.0 5 31
448 A 496 ASN N T T 3 TS+ 0 0 -80.8 10.2 178.7 87.5 95.8 69.0 0 0.0 450 -0.7 0 0.0 0 0.0 6 33
449 A 497 GLU E t < T + 0 0 -111.2 103.4 -179.6 151.3 38.2 152.8 446 -1.6 0 0.0 0 0.0 0 0.0 11 44
450 A 498 ARG R e + 0 0 -112.1 5.5 177.8 87.9 49.7 70.1 448 -0.7 495 -2.9 393 -0.7 0 0.0 13 55
451 A 499 LEU L E E CEh - 393 495 -105.2 129.5 179.0 -168.3 55.5 154.0 393 -1.6 393 -2.1 0 0.0 453 -0.6 12 59
452 A 500 LYS K E E CEh - 392 496 -121.9 100.8 179.7 -160.3 8.6 152.3 495 -3.7 497 -2.0 0 0.0 0 0.0 14 56
453 A 501 TRP W E E CEh - 391 497 -81.4 138.3 175.7 -167.8 10.3 127.0 391 -3.3 391 -1.8 451 -0.6 455 -0.5 12 63
454 A 502 ARG R E E CEh - 390 498 -123.5 106.3 -176.3 -165.0 19.9 164.5 497 -2.7 499 -2.0 0 0.0 0 0.0 12 56
455 A 503 ILE I E E CEh - 389 499 -106.4 126.0 178.1 -148.2 18.0 148.3 389 -3.4 389 -2.7 453 -0.5 457 -0.9 12 60
456 A 504 GLN Q E E CEh - 388 500 -88.2 105.9 179.9 -147.1 26.9 139.1 499 -2.6 501 -2.3 0 0.0 0 0.0 12 53
457 A 505 LEU L e - 0 0 -69.2 166.7 177.8 -123.1 7.5 98.5 387 -2.0 0 0.0 455 -0.9 0 0.0 11 55
458 A 506 SER S t > T - 0 0 -107.4 145.0 179.6 -121.3 21.7 149.2 0 0.0 461 -2.1 0 0.0 0 0.0 12 38
459 A 507 PRO P T T 3 TS+ 0 0 -55.8 -24.3 179.5 57.0 115.9 37.5 0 0.0 380 -2.3 0 0.0 0 0.0 8 36
460 A 508 ASP D T T 3 TS+ 0 0 -82.0 -13.5 -179.8 114.1 77.7 57.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
461 A 509 THR T t < T - 0 0 -65.6 126.1 179.9 -141.1 61.1 119.2 458 -2.1 379 -2.4 0 0.0 0 0.0 11 50
462 A 510 ARG R B e B + 378 0 -89.8 146.3 -176.3 160.5 30.8 130.8 0 0.0 474 -2.5 0 0.0 0 0.0 11 46
463 A 511 ALA A E E DI - 473 0 -160.1 163.4 177.4 -126.4 34.4 170.0 377 -2.2 0 0.0 0 0.0 0 0.0 13 61
464 A 512 GLY G E E DI - 472 0 -116.2 147.4 179.7 -127.0 27.7 153.8 472 -2.8 472 -2.4 0 0.0 0 0.0 12 59
465 A 513 TYR Y E E DI - 471 0 -97.0 140.6 177.4 -159.2 18.2 139.5 0 0.0 0 0.0 0 0.0 0 0.0 11 56
466 A 514 LEU L E E >DI > T - 470 0 -115.8 146.7 -179.3 -124.6 25.1 155.5 470 -2.2 469 -1.1 0 0.0 470 -0.5 8 51
467 A 515 GLU E T T 4 3 TS+ 0 0 -61.8 -20.4 -178.6 67.6 103.9 44.9 0 0.0 0 0.0 0 0.0 0 0.0 5 36
468 A 516 ASN N T T 4 3 TS- 0 0 -91.2 27.3 179.2 -92.2 123.1 86.6 0 0.0 0 0.0 0 0.0 0 0.0 4 30
469 A 517 GLY G T e 4 < TS+ 0 0 73.0 27.4 179.0 113.7 89.9 38.8 466 -1.1 440 -2.6 0 0.0 0 0.0 10 42
470 A 518 LYS K E E T - 0 492 -151.9 128.8 179.6 -10.7 67.8 163.9 492 -3.3 492 -2.0 0 0.0 0 0.0 8 42
490 A 538 SER S T T 3 TS- 0 0 49.9 48.4 179.1 -52.3 127.5 27.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
491 A 539 GLU E T T 3 TS+ 0 0 70.4 3.4 179.1 97.8 122.1 59.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
492 A 540 LYS K E E C J< TS- 0 489 -124.7 148.4 178.0 -126.4 70.0 159.7 489 -2.0 489 -3.3 0 0.0 0 0.0 9 40
493 A 541 GLU E E E C J + 0 488 -89.7 150.4 -180.0 175.0 32.3 128.5 413 -2.5 0 0.0 0 0.0 0 0.0 12 52
494 A 542 TYR Y E E C J - 0 487 -144.9 173.3 177.0 -106.4 34.3 154.1 487 -2.8 487 -2.4 0 0.0 496 -0.6 12 58
495 A 543 ILE I E E ChJ - 451 486 -111.3 114.5 179.1 -154.1 29.2 159.9 450 -2.9 452 -3.7 0 0.0 497 -0.5 11 66
496 A 544 ARG R E E ChJ - 452 485 -88.4 123.9 178.6 -168.5 9.3 141.4 485 -2.7 485 -1.9 494 -0.6 498 -0.6 13 60
497 A 545 ILE I E E ChJ - 453 484 -117.9 113.5 177.8 -162.3 5.2 163.4 452 -2.0 454 -2.7 495 -0.5 499 -0.7 13 57
498 A 546 ASP D E E ChJ + 454 483 -95.8 117.5 -178.9 172.9 21.9 151.2 483 -2.6 482 -2.9 496 -0.6 483 -1.6 12 51
499 A 547 ALA A E E ChJ - 455 481 -128.5 152.9 -179.9 -147.3 23.7 158.3 454 -2.0 456 -2.6 497 -0.7 0 0.0 13 51
500 A 548 LYS K E E ChJ - 456 480 -123.4 128.2 179.1 -124.4 21.3 166.9 480 -2.5 480 -2.7 0 0.0 0 0.0 12 46
501 A 549 VAL V E E C J + 0 479 -70.5 134.8 177.7 165.5 37.7 118.6 456 -2.3 0 0.0 0 0.0 0 0.0 12 52
502 A 550 VAL V E E C J - 0 478 -140.9 167.6 -179.9 -67.7 49.6 154.6 478 -2.2 478 -1.0 0 0.0 0 0.0 10 42
503 A 551 PRO P h > > T - 0 0 -60.4 133.2 179.8 -133.8 41.5 113.1 0 0.0 506 -1.3 0 0.0 507 -0.8 8 35
504 A 552 LYS K H H > > TS+ 0 0 -56.1 -34.3 -179.7 66.3 104.6 29.2 0 0.0 508 -2.4 0 0.0 507 -1.0 11 44
505 A 553 SER S H H > 3 TS+ 0 0 -55.8 -33.4 179.9 59.3 94.4 32.7 0 0.0 509 -1.9 0 0.0 0 0.0 7 30
506 A 554 LYS K H H > < TS+ 0 0 -65.4 -34.9 179.4 42.7 108.7 32.1 503 -1.3 510 -0.8 0 0.0 0 0.0 9 30
507 A 555 ILE I H H X < TS+ 0 0 -78.8 -41.4 178.4 55.0 110.1 25.7 504 -1.0 511 -2.1 503 -0.8 0 0.0 13 42
508 A 556 ASP D H H X TS+ 0 0 -57.8 -35.4 179.1 56.5 105.1 29.4 504 -2.4 512 -2.5 0 0.0 0 0.0 8 43
509 A 557 THR T H H X TS+ 0 0 -65.5 -35.1 179.1 50.1 105.4 30.6 505 -1.9 513 -2.2 0 0.0 0 0.0 8 32
510 A 558 LYS K H H X TS+ 0 0 -69.0 -40.6 -179.8 47.2 112.2 24.7 506 -0.8 514 -1.6 0 0.0 0 0.0 8 38
511 A 559 ILE I H H X TS+ 0 0 -66.1 -40.0 -179.6 50.9 111.8 27.5 507 -2.1 515 -2.1 0 0.0 0 0.0 12 47
512 A 560 GLN Q H H X TS+ 0 0 -65.0 -44.4 179.4 48.4 110.2 24.5 508 -2.5 516 -1.7 0 0.0 0 0.0 9 35
513 A 561 GLU E H H X TS+ 0 0 -66.1 -31.0 179.3 51.7 111.3 34.2 509 -2.2 517 -1.8 0 0.0 0 0.0 8 30
514 A 562 ALA A H H X TS+ 0 0 -73.1 -36.7 179.8 55.0 105.3 29.3 510 -1.6 518 -2.6 0 0.0 0 0.0 9 40
515 A 563 GLN Q H H X TS+ 0 0 -63.1 -39.4 179.4 44.7 111.0 26.9 511 -2.1 519 -1.6 0 0.0 0 0.0 11 42
516 A 564 LEU L H H X TS+ 0 0 -70.4 -40.3 -179.6 52.4 112.8 25.2 512 -1.7 520 -2.1 0 0.0 0 0.0 8 34
517 A 565 ASN N H H X TS+ 0 0 -62.8 -42.7 -179.3 45.3 110.9 25.6 513 -1.8 521 -1.5 0 0.0 0 0.0 8 30
518 A 566 ILE I H H X TS+ 0 0 -72.7 -31.3 179.2 50.8 112.5 34.1 514 -2.6 522 -2.0 0 0.0 0 0.0 10 43
519 A 567 ASN N H H X TS+ 0 0 -73.0 -34.1 178.8 53.6 107.8 29.9 515 -1.6 523 -2.2 0 0.0 0 0.0 13 42
520 A 568 GLN Q H H X TS+ 0 0 -65.0 -37.6 -179.9 49.0 109.9 27.4 516 -2.1 524 -1.2 0 0.0 0 0.0 10 28
521 A 569 GLU E H H X TS+ 0 0 -68.3 -46.3 -178.4 37.1 118.0 22.5 517 -1.5 525 -1.9 0 0.0 0 0.0 8 31
522 A 570 TRP W H H X TS+ 0 0 -82.7 -20.4 177.6 60.5 109.0 44.8 518 -2.0 526 -1.7 0 0.0 0 0.0 8 42
523 A 571 ASN N H H < >TS+ 0 0 -70.2 -35.9 -179.9 42.3 112.6 27.5 519 -2.2 528 -1.7 0 0.0 0 0.0 13 41
524 A 572 LYS K H H < >5TS+ 0 0 -73.9 -45.9 180.0 46.6 116.0 22.8 520 -1.2 527 -0.6 0 0.0 0 0.0 10 27
525 A 573 ALA A H H < 35TS+ 0 0 -68.3 -25.4 -179.4 42.5 118.7 42.1 521 -1.9 0 0.0 0 0.0 0 0.0 7 35
526 A 574 LEU L T h < 35TS- 0 0 -101.1 -2.0 179.9 -120.5 108.3 63.7 522 -1.7 0 0.0 0 0.0 0 0.0 7 38
527 A 575 GLY G T T <5T + 0 0 71.0 20.3 179.9 147.0 62.0 45.3 524 -0.6 0 0.0 0 0.0 0 0.0 7 30
528 A 576 LEU L t T - 0 0 -50.3 147.5 -178.6 -107.1 52.7 99.0 0 0.0 532 -1.5 0 0.0 0 0.0 7 27
530 A 578 LYS K T T 3 TS+ 0 0 -46.7 -45.1 -177.8 32.1 111.8 35.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
531 A 579 TYR Y T T 3 TS+ 0 0 -111.1 33.1 179.3 140.4 80.7 91.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
532 A 580 THR T t < T - 0 0 -74.3 150.2 179.9 -135.8 47.9 115.9 529 -1.5 534 -0.8 0 0.0 0 0.0 9 33
533 A 581 LYS K + 0 0 -109.4 94.6 -178.9 136.9 50.1 149.5 0 0.0 0 0.0 0 0.0 0 0.0 7 44
534 A 582 LEU L e + 0 0 -101.8 -50.3 -177.9 55.2 59.8 35.2 532 -0.8 581 -2.9 0 0.0 0 0.0 10 54
535 A 583 ILE I E E Ek - 581 0 -94.2 127.3 178.4 -175.2 64.0 139.7 0 0.0 0 0.0 0 0.0 0 0.0 11 61
536 A 584 THR T E E Ek - 582 0 -128.9 130.7 179.0 -149.7 18.6 167.7 581 -2.4 583 -2.1 0 0.0 538 -0.9 10 58
537 A 585 PHE F E E Ek - 583 0 -95.6 99.9 178.3 -178.3 12.7 145.5 0 0.0 539 -1.3 0 0.0 0 0.0 12 58
538 A 586 ASN N E E Ek + 584 0 -97.2 76.6 -176.6 163.4 26.1 132.9 583 -1.9 585 -1.5 536 -0.9 540 -0.5 10 62
539 A 587 VAL V + 0 0 -108.1 122.0 -177.5 138.1 16.8 151.8 537 -1.3 0 0.0 0 0.0 0 0.0 13 65
540 A 588 HIS H + 0 0 -138.9 -2.2 -176.4 80.0 48.0 65.3 538 -0.5 0 0.0 0 0.0 0 0.0 14 62
541 A 589 ASN N S t > TS- 0 0 -115.9 -176.2 -174.0 -81.9 85.7 117.1 0 0.0 544 -2.0 0 0.0 431 -1.4 13 62
542 A 590 ARG R T T 3 TS+ 0 0 -57.2 -19.4 178.5 47.5 121.3 53.1 0 0.0 0 0.0 0 0.0 0 0.0 9 71
543 A 591 TYR Y T h > > TS+ 0 0 -108.0 20.8 -178.2 139.5 76.0 81.6 0 0.0 546 -2.2 0 0.0 547 -1.1 13 67
544 A 592 ALA A H H > X T + 0 0 -28.1 -63.4 -177.7 51.6 62.4 43.3 541 -2.0 548 -1.6 0 0.0 547 -0.7 13 65
545 A 593 SER S H H > 3 TS+ 0 0 -57.1 -28.1 179.9 55.0 106.4 41.6 429 -2.0 549 -2.4 0 0.0 0 0.0 12 55
546 A 594 ASN N H H > < TS+ 0 0 -74.9 -34.7 178.9 56.0 102.6 31.4 543 -2.2 550 -2.3 0 0.0 0 0.0 10 58
547 A 595 ILE I H H < < TS+ 0 0 -59.1 -45.7 -179.7 44.0 113.0 18.7 543 -1.1 0 0.0 544 -0.7 0 0.0 14 66
548 A 596 VAL V H H X > TS+ 0 0 -64.0 -55.9 -178.3 42.5 116.2 17.9 544 -1.6 551 -0.9 0 0.0 552 -0.6 13 58
549 A 597 GLU E H H X > TS+ 0 0 -67.2 -30.1 -179.7 56.6 108.9 36.1 545 -2.4 553 -1.0 0 0.0 552 -0.5 9 51
550 A 598 SER S H H X 3 TS+ 0 0 -76.9 -10.7 179.1 73.5 92.6 49.2 546 -2.3 554 -2.6 0 0.0 0 0.0 8 52
551 A 599 ALA A H H > < TS+ 0 0 -65.4 -42.1 179.5 48.8 96.2 23.4 548 -0.9 555 -2.1 0 0.0 0 0.0 9 57
552 A 600 TYR Y H H X < TS+ 0 0 -61.4 -46.7 180.0 46.8 113.1 21.9 548 -0.6 556 -2.1 549 -0.5 0 0.0 9 45
553 A 601 LEU L H H X TS+ 0 0 -63.2 -40.5 179.9 52.4 110.9 30.5 549 -1.0 557 -1.8 0 0.0 0 0.0 9 37
554 A 602 ILE I H H X TS+ 0 0 -65.5 -39.2 -179.5 44.8 112.0 27.3 550 -2.6 558 -1.0 0 0.0 0 0.0 11 52
555 A 603 LEU L H H X TS+ 0 0 -74.8 -34.2 178.3 56.5 108.9 30.7 551 -2.1 559 -2.4 0 0.0 0 0.0 9 56
556 A 604 ASN N H H X TS+ 0 0 -61.6 -42.4 179.6 44.9 109.9 24.8 552 -2.1 560 -2.6 0 0.0 0 0.0 8 38
557 A 605 GLU E H H X TS+ 0 0 -70.8 -27.0 179.5 56.8 110.7 39.3 553 -1.8 561 -0.7 0 0.0 0 0.0 9 36
558 A 606 TRP W H H X TS+ 0 0 -69.3 -44.0 -180.0 37.8 113.7 24.8 554 -1.0 562 -0.7 0 0.0 0 0.0 11 48
559 A 607 LYS K H H < > TS+ 0 0 -70.9 -59.7 -178.8 54.6 112.6 10.5 555 -2.4 562 -1.6 0 0.0 0 0.0 10 40
560 A 608 ASN N H H < 3 TS+ 0 0 -51.4 -16.9 -179.0 42.4 114.6 52.7 556 -2.6 0 0.0 0 0.0 0 0.0 7 30
561 A 609 ASN N H H < 3 TS+ 0 0 -109.0 -12.8 -179.1 61.3 108.2 55.9 557 -0.7 0 0.0 0 0.0 0 0.0 9 36
562 A 610 ILE I S h < < TS- 0 0 -120.9 148.7 -180.0 -90.3 93.9 153.9 559 -1.6 0 0.0 558 -0.7 0 0.0 9 46
563 A 611 GLN Q h > > T - 0 0 -56.1 121.9 -179.9 -133.7 33.7 109.1 0 0.0 567 -2.2 0 0.0 566 -1.2 8 36
564 A 612 SER S H H > 3 TS+ 0 0 -45.3 -40.2 -179.2 50.1 104.7 36.0 0 0.0 568 -2.5 0 0.0 0 0.0 7 32
565 A 613 ASP D H H > 3 TS+ 0 0 -76.2 -26.3 178.3 52.9 106.6 40.2 0 0.0 569 -2.0 0 0.0 0 0.0 6 30
566 A 614 LEU L H H > < TS+ 0 0 -70.9 -44.2 178.8 46.8 112.6 20.9 563 -1.2 570 -2.5 0 0.0 0 0.0 10 42
567 A 615 ILE I H H X TS+ 0 0 -57.9 -57.6 179.7 47.4 113.2 14.9 563 -2.2 571 -2.8 0 0.0 0 0.0 10 54
568 A 616 LYS K H H X TS+ 0 0 -52.2 -49.4 -179.7 48.3 113.4 25.0 564 -2.5 572 -2.5 0 0.0 0 0.0 10 42
569 A 617 LYS K H H X TS+ 0 0 -59.0 -53.2 -179.1 43.6 114.5 18.5 565 -2.0 573 -1.6 0 0.0 0 0.0 9 42
570 A 618 VAL V H H X TS+ 0 0 -62.6 -42.8 -179.0 47.6 115.5 24.7 566 -2.5 574 -1.5 0 0.0 0 0.0 11 54
571 A 619 THR T H H X TS+ 0 0 -67.8 -40.7 178.3 56.1 106.5 23.4 567 -2.8 575 -3.2 0 0.0 0 0.0 8 58
572 A 620 ASN N H H X TS+ 0 0 -55.1 -38.1 178.5 50.3 109.1 26.1 568 -2.5 576 -1.9 0 0.0 0 0.0 9 45
573 A 621 TYR Y H H X TS+ 0 0 -66.5 -37.7 -179.8 48.2 110.4 32.6 569 -1.6 577 -0.8 0 0.0 0 0.0 9 47
574 A 622 LEU L H H < >>TS+ 0 0 -70.1 -43.9 179.7 48.2 112.3 23.5 570 -1.5 579 -2.8 0 0.0 577 -0.7 12 50
575 A 623 VAL V H H < >5TS+ 0 0 -64.2 -34.5 -179.8 63.8 102.5 30.9 571 -3.2 578 -2.3 0 0.0 0 0.0 12 42
576 A 624 ASP D H H < 35TS+ 0 0 -58.8 -31.1 179.5 39.8 109.5 34.8 572 -1.9 0 0.0 0 0.0 0 0.0 7 32
577 A 625 GLY G T h < <5TS- 0 0 -101.7 14.3 179.7 -110.5 122.2 79.5 573 -0.8 0 0.0 574 -0.7 0 0.0 8 33
578 A 626 ASN N T T <5T + 0 0 58.1 45.4 179.9 164.9 61.2 26.7 575 -2.3 0 0.0 0 0.0 0 0.0 9 35
579 A 627 GLY G t T - 0 0 -67.5 144.3 -178.7 -118.4 37.2 109.3 346 -1.1 590 -2.3 0 0.0 0 0.0 12 57
588 A 636 LEU L G G > TS+ 0 0 -47.8 -40.4 179.7 68.0 108.2 37.0 0 0.0 591 -2.1 0 0.0 0 0.0 12 60
589 A 637 PRO P G G 3 TS+ 0 0 -60.0 -8.5 -179.0 50.8 102.5 50.7 0 0.0 0 0.0 0 0.0 0 0.0 11 58
590 A 638 ASN N G G < TS+ 0 0 -111.2 8.7 -178.3 89.6 84.4 72.4 587 -2.3 0 0.0 0 0.0 0 0.0 13 56
591 A 639 ILE I S g < TS- 0 0 -72.4 -52.6 -179.6 -138.1 76.3 17.3 588 -2.1 0 0.0 0 0.0 0 0.0 10 60
592 A 640 ALA A S t > TS+ 0 0 122.0 -51.6 177.6 80.7 91.6 114.5 0 0.0 596 -2.2 0 0.0 0 0.0 8 54
593 A 641 GLU E T T 4 TS+ 0 0 -56.7 -16.3 177.3 30.2 112.1 45.4 0 0.0 0 0.0 0 0.0 0 0.0 9 51
594 A 642 GLN Q T g 4 > TS+ 0 0 -106.4 -54.5 -176.3 46.6 120.2 37.0 0 0.0 597 -1.2 0 0.0 0 0.0 13 48
595 A 643 TYR Y G G 4 > TS+ 0 0 -65.6 -29.9 179.4 61.0 103.3 36.0 0 0.0 598 -1.3 0 0.0 0 0.0 13 40
596 A 644 THR T G G < 3 TS+ 0 0 -67.9 -18.2 -179.3 44.6 110.7 41.6 592 -2.2 0 0.0 0 0.0 0 0.0 6 32
597 A 645 HIS H G G < TS+ 0 0 -108.4 11.4 178.4 108.9 86.6 75.7 594 -1.2 0 0.0 0 0.0 0 0.0 9 33
598 A 646 GLN Q g < T - 0 0 -86.2 144.4 179.0 -154.9 55.5 132.1 595 -1.3 0 0.0 0 0.0 0 0.0 9 33
599 A 647 ASP D S S S+ 0 0 -85.6 -30.8 179.4 22.4 84.1 36.5 0 0.0 0 0.0 0 0.0 0 0.0 5 25
600 A 648 GLU E S g > TS- 0 0 -135.1 147.5 179.8 -127.5 75.2 166.8 0 0.0 603 -1.2 0 0.0 0 0.0 6 29
601 A 649 ILE I G G > TS+ 0 0 -59.1 -43.0 -178.7 57.6 109.5 25.4 0 0.0 604 -1.4 0 0.0 0 0.0 11 37
602 A 650 TYR Y G G 3 TS+ 0 0 -66.0 -11.3 179.5 76.1 88.5 53.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
603 A 651 GLU E G G < TS+ 0 0 -81.6 9.0 -179.0 126.6 72.4 71.0 600 -1.2 0 0.0 0 0.0 0 0.0 8 39
604 A 652 GLN Q g < T - 0 0 -69.8 149.4 179.1 -156.0 45.5 109.3 601 -1.4 0 0.0 0 0.0 0 0.0 11 47
605 A 653 VAL V - 0 0 -130.1 133.6 176.6 -174.1 9.9 171.5 0 0.0 0 0.0 0 0.0 0 0.0 7 50
606 A 654 HIS H + 0 0 -126.0 136.3 179.8 111.3 30.4 172.3 0 0.0 0 0.0 0 0.0 0 0.0 9 50
607 A 655 SER S S S S- 0 0 -175.3 -169.0 -178.8 -64.4 78.1 160.7 0 0.0 0 0.0 0 0.0 0 0.0 10 50
608 A 656 LYS K S e S+ 0 0 -67.6 -34.6 -179.6 3.4 113.5 33.2 0 0.0 621 -1.6 0 0.0 0 0.0 11 54
609 A 657 GLY G E E EM - 620 0 -148.8 164.7 -179.8 -176.0 60.8 164.3 0 0.0 0 0.0 0 0.0 0 0.0 12 61
610 A 658 LEU L E E EM - 619 0 -162.1 146.2 177.3 -153.1 12.8 166.3 619 -1.5 619 -2.9 0 0.0 0 0.0 12 63
611 A 659 TYR Y E E EM - 618 0 -127.0 124.9 -179.7 -163.2 9.7 174.5 0 0.0 0 0.0 0 0.0 0 0.0 12 58
612 A 660 VAL V E E >EM >T - 617 0 -111.5 110.9 -179.7 -165.2 5.2 158.5 617 -2.1 617 -1.5 0 0.0 616 -1.2 10 55
613 A 661 PRO P T T 4 5TS+ 0 0 -58.8 -45.3 -179.3 58.3 87.3 25.1 0 0.0 0 0.0 0 0.0 0 0.0 8 52
614 A 662 GLU E T T 4 5TS+ 0 0 -55.6 -39.7 -180.0 27.8 120.0 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 38
615 A 663 SER S T T 4 5TS- 0 0 -101.7 -3.8 -179.6 -133.8 99.7 61.8 0 0.0 0 0.0 0 0.0 0 0.0 12 43
616 A 664 ARG R T T < 5T + 0 0 49.8 52.1 -178.8 138.1 58.8 21.5 612 -1.2 0 0.0 0 0.0 0 0.0 14 51
617 A 665 SER S E E E M TS- 0 0 -141.8 -172.1 -179.9 -94.3 76.0 139.7 0 0.0 635 -1.2 0 0.0 0 0.0 9 48
632 A 680 ASP D H H > TS+ 0 0 -77.8 -39.4 179.0 59.3 116.6 29.5 0 0.0 636 -2.6 0 0.0 0 0.0 10 54
633 A 681 SER S H H > TS+ 0 0 -53.7 -49.4 179.9 42.6 110.8 19.3 0 0.0 637 -2.4 0 0.0 0 0.0 11 56
634 A 682 GLU E H H > TS+ 0 0 -65.2 -37.9 179.6 57.5 110.2 29.5 0 0.0 638 -2.0 0 0.0 0 0.0 11 58
635 A 683 GLY G H H X TS+ 0 0 -58.7 -42.4 -179.9 43.7 110.6 25.5 631 -1.2 639 -1.4 0 0.0 0 0.0 14 60
636 A 684 PHE F H H X > TS+ 0 0 -67.3 -57.4 -179.4 51.0 111.0 14.3 632 -2.6 640 -2.7 0 0.0 639 -0.6 13 66
637 A 685 ILE I H H X 3 TS+ 0 0 -51.4 -34.0 179.1 57.5 107.6 32.6 633 -2.4 641 -1.8 0 0.0 0 0.0 10 65
638 A 686 HIS H H H X 3 TS+ 0 0 -62.9 -46.6 179.9 43.8 108.7 22.0 634 -2.0 642 -0.9 0 0.0 0 0.0 12 60
639 A 687 GLU E H H X X TS+ 0 0 -66.9 -38.5 178.7 59.1 107.5 28.1 635 -1.4 643 -1.4 636 -0.6 642 -0.7 13 69
640 A 688 PHE F H H X 3 TS+ 0 0 -56.5 -39.6 179.2 61.4 98.1 25.6 636 -2.7 644 -2.8 0 0.0 0 0.0 11 74
641 A 689 GLY G H H X 3 TS+ 0 0 -53.3 -39.7 179.1 51.3 102.1 26.5 637 -1.8 645 -2.5 0 0.0 0 0.0 13 70
642 A 690 HIS H H H X < TS+ 0 0 -66.1 -33.6 179.2 53.1 107.2 33.2 638 -0.9 646 -1.3 639 -0.7 0 0.0 13 59
643 A 691 ALA A H H X TS+ 0 0 -66.3 -45.9 179.1 48.5 109.1 21.1 639 -1.4 647 -2.3 0 0.0 0 0.0 13 66
644 A 692 VAL V H H X TS+ 0 0 -58.6 -45.8 179.4 54.6 107.8 22.2 640 -2.8 648 -3.0 0 0.0 0 0.0 9 65
645 A 693 ASP D H H X TS+ 0 0 -56.7 -32.0 -179.2 48.9 110.4 33.6 641 -2.5 660 -1.7 0 0.0 649 -1.1 14 64
646 A 694 ASP D H H X TS+ 0 0 -75.5 -44.4 -179.7 41.8 114.1 25.5 642 -1.3 650 -1.3 0 0.0 0 0.0 12 57
647 A 695 TYR Y H H X TS+ 0 0 -70.3 -46.7 179.6 55.3 110.8 22.1 643 -2.3 651 -1.9 0 0.0 0 0.0 12 57
648 A 696 ALA A H H < TS+ 0 0 -52.7 -44.5 179.6 47.9 109.9 24.2 644 -3.0 0 0.0 0 0.0 0 0.0 13 50
649 A 697 GLY G H H < TS+ 0 0 -65.1 -34.1 179.7 56.6 106.8 31.3 645 -1.1 0 0.0 0 0.0 0 0.0 13 45
650 A 698 TYR Y H H < > TS+ 0 0 -65.3 -31.6 179.9 64.4 98.1 34.0 646 -1.3 652 -1.1 0 0.0 653 -1.0 14 36
651 A 699 LEU L T h < 3 TS+ 0 0 -89.6 52.8 179.4 51.7 99.5 110.4 647 -1.9 0 0.0 0 0.0 0 0.0 8 32
652 A 700 LEU L T T 3 TS+ 0 0 -158.0 -13.8 -179.9 5.6 129.6 75.8 650 -1.1 0 0.0 0 0.0 0 0.0 6 28
653 A 701 ASP D t X T - 0 0 179.9 81.4 -179.2 -168.4 59.5 108.1 650 -1.0 656 -2.2 0 0.0 0 0.0 9 19
654 A 702 LYS K T T 3 TS+ 0 0 -64.5 15.8 -179.8 46.7 92.5 75.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
655 A 703 ASN N T T 3 TS+ 0 0 -142.9 15.9 179.8 31.0 115.3 79.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
656 A 704 GLN Q S t < TS+ 0 0 -168.4 160.7 -179.1 6.5 100.0 166.9 653 -2.2 0 0.0 0 0.0 0 0.0 6 18
657 A 705 SER S - 0 0 54.8 -155.5 179.5 -152.7 53.7 96.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
658 A 706 ASP D + 0 0 179.9 -35.9 -178.9 72.6 60.2 77.3 0 0.0 0 0.0 0 0.0 0 0.0 11 37
659 A 707 LEU L - 0 0 -109.7 129.0 179.1 -160.6 49.7 152.7 0 0.0 0 0.0 0 0.0 0 0.0 12 43
660 A 708 VAL V S t > TS+ 0 0 -70.5 -24.6 179.8 61.2 98.9 40.2 645 -1.7 663 -0.9 0 0.0 0 0.0 11 47
661 A 709 THR T T T 3 TS+ 0 0 -70.4 -30.1 179.8 59.3 96.4 35.3 0 0.0 0 0.0 0 0.0 0 0.0 12 49
662 A 710 ASN N T T 3 TS+ 0 0 -74.3 -10.3 179.9 109.4 83.0 54.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
663 A 711 SER S S h > X TS- 0 0 -68.9 142.2 179.8 -134.0 75.2 115.2 660 -0.9 666 -1.5 0 0.0 667 -1.3 8 31
664 A 712 LYS K H H > 3 TS+ 0 0 -68.0 -16.1 -179.6 72.3 105.0 47.1 0 0.0 668 -0.9 0 0.0 0 0.0 7 22
665 A 713 LYS K H H 4 3 TS+ 0 0 -83.0 12.7 179.8 35.3 105.4 75.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
666 A 714 PHE F H H > < TS+ 0 0 -133.0 -31.3 179.7 76.3 97.7 59.5 663 -1.5 670 -1.5 0 0.0 0 0.0 11 38
667 A 715 ILE I H H X > TS+ 0 0 -50.9 -45.9 179.8 53.6 95.9 24.7 663 -1.3 671 -0.8 0 0.0 670 -0.6 11 32
668 A 716 ASP D H H X > TS+ 0 0 -57.2 -44.3 179.5 55.1 103.2 24.9 664 -0.9 671 -1.3 0 0.0 672 -0.8 8 26
669 A 717 ILE I H H > > TS+ 0 0 -58.2 -30.1 -179.9 52.6 107.2 33.8 0 0.0 673 -1.7 0 0.0 672 -0.5 11 40
670 A 718 PHE F H H < < TS+ 0 0 -78.4 -18.7 179.9 64.8 98.4 48.0 666 -1.5 0 0.0 667 -0.6 0 0.0 12 43
671 A 719 LYS K H H < < TS+ 0 0 -76.9 -19.6 -178.9 31.9 112.9 45.4 668 -1.3 0 0.0 667 -0.8 0 0.0 8 30
672 A 720 GLU E H H < < TS+ 0 0 -101.4 -60.6 -179.0 18.8 134.8 28.6 668 -0.8 0 0.0 669 -0.5 0 0.0 8 31
673 A 721 GLU E S h < > TS+ 0 0 -90.0 -11.4 -179.2 99.4 95.4 55.0 669 -1.7 676 -3.5 0 0.0 0 0.0 12 41
674 A 722 GLY G T T 3 TS+ 0 0 -47.6 -26.0 -179.7 38.9 92.0 43.6 0 0.0 0 0.0 0 0.0 0 0.0 13 42
675 A 723 SER S T T 3 TS+ 0 0 -112.8 22.8 -178.5 85.8 96.8 86.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
676 A 724 ASN N S t < TS+ 0 0 -107.1 10.1 179.6 36.3 90.8 75.0 673 -3.5 0 0.0 0 0.0 0 0.0 9 38
677 A 725 LEU L S S S- 0 0 -134.0 -148.0 179.9 -16.4 108.6 112.3 0 0.0 0 0.0 0 0.0 0 0.0 13 44
678 A 726 THR T t > T - 0 0 -61.0 150.3 179.5 -122.9 58.1 104.8 0 0.0 682 -1.2 0 0.0 0 0.0 8 42
679 A 727 SER S T T 4 TS+ 0 0 -65.9 -22.8 178.9 61.9 113.3 41.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
680 A 728 TYR Y T g 4 > TS+ 0 0 -68.4 -42.8 179.3 46.7 103.9 24.4 0 0.0 683 -1.2 0 0.0 0 0.0 9 38
681 A 729 GLY G G G 4 > TS+ 0 0 -69.6 -24.5 -179.9 70.5 99.5 39.6 0 0.0 684 -0.6 0 0.0 0 0.0 17 45
682 A 730 ARG R G G < 3 TS+ 0 0 -65.1 -17.6 -179.2 81.9 79.3 47.1 678 -1.2 0 0.0 0 0.0 0 0.0 13 35
683 A 731 THR T G G < TS- 0 0 -52.9 -58.0 179.3 -40.4 108.8 19.1 680 -1.2 0 0.0 0 0.0 0 0.0 8 33
684 A 732 ASN N h > < T - 0 0 -161.2 177.7 -179.6 -82.8 62.6 162.0 681 -0.6 688 -3.2 0 0.0 0 0.0 9 39
685 A 733 GLU E H H > TS+ 0 0 -58.8 -42.5 179.9 50.7 123.5 29.2 0 0.0 689 -3.1 0 0.0 0 0.0 14 50
686 A 734 ALA A H H > TS+ 0 0 -62.1 -50.7 179.8 39.7 116.8 16.7 0 0.0 690 -2.8 0 0.0 0 0.0 11 54
687 A 735 GLU E H H > TS+ 0 0 -66.0 -39.7 179.4 51.7 116.0 27.5 0 0.0 691 -3.1 0 0.0 0 0.0 12 56
688 A 736 PHE F H H X TS+ 0 0 -61.5 -48.6 179.6 46.0 112.4 18.0 684 -3.2 692 -3.1 0 0.0 0 0.0 15 55
689 A 737 PHE F H H X TS+ 0 0 -58.5 -49.3 -180.0 47.1 114.8 20.1 685 -3.1 693 -2.4 0 0.0 0 0.0 13 65
690 A 738 ALA A H H X TS+ 0 0 -59.9 -42.8 179.4 47.6 114.5 26.0 686 -2.8 694 -2.0 0 0.0 0 0.0 15 68
691 A 739 GLU E H H X TS+ 0 0 -64.9 -46.4 179.4 48.8 111.6 22.4 687 -3.1 695 -2.2 0 0.0 0 0.0 13 60
692 A 740 ALA A H H X TS+ 0 0 -61.2 -39.3 179.9 53.0 110.2 28.3 688 -3.1 696 -1.8 0 0.0 0 0.0 13 69
693 A 741 PHE F H H X TS+ 0 0 -62.4 -45.2 -179.6 50.3 108.5 21.7 689 -2.4 697 -0.7 0 0.0 0 0.0 11 71
694 A 742 ARG R H H < > TS+ 0 0 -58.4 -50.8 -179.1 49.5 109.1 22.0 690 -2.0 697 -1.2 0 0.0 0 0.0 12 64
695 A 743 LEU L H H < > TS+ 0 0 -58.3 -40.8 -179.0 60.3 104.0 28.2 691 -2.2 698 -1.6 0 0.0 0 0.0 10 57
696 A 744 MET M H H < 3 TS+ 0 0 -63.2 -19.0 -178.9 38.7 111.9 46.8 692 -1.8 0 0.0 0 0.0 0 0.0 11 55
697 A 745 HIS H T h < < TS+ 0 0 -117.9 17.3 -179.8 139.6 88.4 80.4 694 -1.2 0 0.0 693 -0.7 0 0.0 9 49
698 A 746 SER S t < T - 0 0 -60.6 156.3 179.6 -127.5 61.2 97.4 695 -1.6 0 0.0 0 0.0 0 0.0 11 43
699 A 747 THR T S S S+ 0 0 -77.2 -19.1 179.5 75.4 99.2 47.1 0 0.0 701 -0.9 0 0.0 0 0.0 5 36
700 A 748 ASP D S h > > TS- 0 0 -98.5 102.7 -179.4 -160.2 70.8 147.1 0 0.0 704 -1.3 0 0.0 703 -0.9 6 27
701 A 749 HIS H H H > 3 TS+ 0 0 -51.4 -30.4 178.8 65.6 91.0 38.6 699 -0.9 705 -2.5 0 0.0 0 0.0 7 22
702 A 750 ALA A H H > 3 TS+ 0 0 -56.5 -50.8 179.5 50.6 100.1 15.9 0 0.0 706 -2.1 0 0.0 0 0.0 6 20
703 A 751 GLU E H H > < TS+ 0 0 -52.4 -44.2 180.0 52.8 108.4 27.3 700 -0.9 707 -1.2 0 0.0 0 0.0 10 29
704 A 752 ARG R H H X TS+ 0 0 -59.0 -45.1 -179.0 51.7 107.5 23.8 700 -1.3 708 -0.7 0 0.0 0 0.0 12 35
705 A 753 LEU L H H X > TS+ 0 0 -61.2 -42.9 -179.3 62.7 100.1 27.7 701 -2.5 709 -1.7 0 0.0 708 -1.2 9 27
706 A 754 LYS K H H X 3 TS+ 0 0 -50.7 -51.2 -179.7 52.3 99.3 24.0 702 -2.1 710 -2.4 0 0.0 0 0.0 9 31
707 A 755 VAL V H H X 3 TS+ 0 0 -57.9 -23.8 179.9 57.7 107.7 39.3 703 -1.2 711 -1.3 0 0.0 0 0.0 15 43
708 A 756 GLN Q H H < < TS+ 0 0 -71.0 -52.9 -179.4 26.2 118.3 17.0 705 -1.2 0 0.0 704 -0.7 0 0.0 9 32
709 A 757 LYS K H H < TS+ 0 0 -89.7 -7.0 179.6 41.3 131.6 58.3 705 -1.7 0 0.0 0 0.0 0 0.0 7 25
710 A 758 ASN N H H < TS+ 0 0 -109.6 -24.4 179.6 21.1 131.7 50.7 706 -2.4 0 0.0 0 0.0 0 0.0 9 34
711 A 759 ALA A h X T + 0 0 -143.7 65.4 -179.8 157.7 68.0 118.2 707 -1.3 715 -2.3 0 0.0 0 0.0 12 42
712 A 760 PRO P H H > TS+ 0 0 -60.5 -36.0 -179.8 49.8 77.0 33.5 0 0.0 716 -1.1 0 0.0 0 0.0 9 32
713 A 761 LYS K H H > > TS+ 0 0 -67.8 -56.9 -179.4 44.5 112.5 12.2 0 0.0 717 -2.6 0 0.0 716 -0.6 8 36
714 A 762 THR T H H > 3 TS+ 0 0 -55.3 -42.3 179.9 55.4 110.5 28.6 0 0.0 718 -3.3 0 0.0 0 0.0 11 53
715 A 763 PHE F H H X 3 TS+ 0 0 -61.3 -33.1 180.0 40.6 114.3 33.0 711 -2.3 719 -1.1 0 0.0 0 0.0 12 41
716 A 764 GLN Q H H < < TS+ 0 0 -84.0 -31.4 179.5 51.5 116.0 37.0 712 -1.1 0 0.0 713 -0.6 0 0.0 8 30
717 A 765 PHE F H H X > TS+ 0 0 -69.3 -52.2 179.8 46.1 110.6 18.1 713 -2.6 721 -1.1 0 0.0 720 -1.0 8 43
718 A 766 ILE I H H X > TS+ 0 0 -58.4 -44.6 179.2 55.8 108.4 25.1 714 -3.3 722 -2.3 0 0.0 721 -0.8 9 54
719 A 767 ASN N H H < 3 TS+ 0 0 -61.9 -18.5 178.9 51.4 108.2 43.9 715 -1.1 0 0.0 0 0.0 0 0.0 8 36
720 A 768 ASP D H H > < TS+ 0 0 -88.1 -24.6 179.2 53.0 106.2 44.7 717 -1.0 724 -0.6 0 0.0 0 0.0 8 33
721 A 769 GLN Q H H < X TS+ 0 0 -75.9 -39.0 179.2 53.2 104.9 28.4 717 -1.1 724 -0.9 718 -0.8 0 0.0 8 44
722 A 770 ILE I T h < 3 TS+ 0 0 -66.0 -18.4 -179.6 74.4 96.4 44.5 718 -2.3 0 0.0 0 0.0 0 0.0 8 44
723 A 771 LYS K T T 4 3 T + 0 0 -61.0 -43.8 179.0 99.6 66.2 25.8 0 0.0 725 -0.7 0 0.0 0 0.0 6 29
724 A 772 PHE F t < < T 0 0 -50.3 95.5 179.2 999.9 999.9 104.7 721 -0.9 0 0.0 720 -0.6 0 0.0 7 31
725 A 773 ILE I 0 0 -153.2 999.9 999.9 999.9 999.9 82.5 723 -0.7 0 0.0 0 0.0 0 0.0 5 25
1j7nA.pdb
1J7N TOXIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTTHHHHHHHHHHHEEEE SS TTHHHHHHHHHHHTS HHHHHHHHHTT EEEEESS GGGSGGGTT GGGGEEE TTS EEEGGG SEEEE SSS Kabs/Sand
chirality ++++++++++++++++--++--++++++++++++++++--+++++++++-+----+--+-+++-+++++--+++++---+-+-+--+++-++---+-+- chirality
bends SSSSSSSSSSSSSSS SS SSSSSSSSSSSSSS SSSSSSSSSS SS SSSSSSSSS SSSS SSS SSS S SSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>3<<>33< >>3<< >>33X<3<>>><<< >33< >>3<< 3-turns
bridge-2 bbbbb bridge-2
bridge-1 aaaa aaaa CCC CCC DDDD bridge-1
sheets AAAA AAAAA BBB BBB AAAA sheets
4-turns >44>X>>XXXXX<<<< >4>>X>XXXXX<<<< >>>>XXX<<<< >444< >444< >444< 4-turns
summary tTTThHHHHHHHHHHHEEEE SStThHHHHHHHHHHHhthHHHHHHHHHhTtEEEEEeSgGGGgGGGgTtgGGGeEEEeTTteEEEeGGgeEEEE SSS summary
sequence ERNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKAIGGKIYIVDGDITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEE S TTT HHHHHHHHHHHHHHHHHTTGGGGT S HHHHHHHHHHHTSSSSHHHHHH HHHHT SS HHHHHT HHHHHHHHHHHHHHHHS Kabs/Sand
chirality ------+-++++++++++++++++++++++++++++-+++-++++++++++++-+-+++++++--+++++-+----+++++++++++++++++++++++- chirality
bends S SSS SSSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSSSS SSSSS SS SSSSSS SSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>>55<33< >>><<< >33X33< >33< >33X>3<< > 3-turns
bridge-2 DDDD bridge-2
bridge-1 bbbbb bridge-1
sheets AAAAA sheets
4-turns >444X>>>XXXXXXXXXXX<<<< >>>>XXXXX<<<< >>>><<<<>>44<< >>>4<<<>>>>XXXXXXXXXX<<>555<< 5-turns
3-turns >3<< >33X>3<< >>3<< >33< >33< >33< >>3<< >33< >33<>>3< 3-turns
bridge-2 bridge-2
bridge-1 A bridge-1
sheets sheets
4-turns >4>XX>X<<>>XXXXXX<<>>XXXX>>XXXXXXXX<<>4<<< >>>>XXXXX<<<< >>>4<>>X>X<<<< 4-turns
summary HHHHHHHHHHhHHHHHHHHHHHHhHHHHHHHHHHhThHHHHHHHHHHHHHHhHHHHHhthHHHHHHHHHHHh B hHHHHHhTTThHHHHHHHhtgGGG summary
sequence PQHRDVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLSRYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDS sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SSS HHHHHHHHHHHTT STTHHHHHHHHHHTS B HHHHHHHHTT TT TTS HHHHHHHHHHHHHHHHH BS SS SS EEEEEE GGGT H Kabs/Sand
chirality -++--++++++++++++ +-+++++++++++++--+-+++++++--++++-++--+++++++++++++++++++--++-++-+---------+++--+ chirality
bends SSS SSSSSSSSSSSS SSSSSSSSSSSSSSS SSSSSSSSSS SS SSS SSSSSSSSSSSSSSSSS S SS SS SSSS S bends
turns T TTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns < >33X>3<< >33< >33X33< >33X33X33< >>3<< 3-turns
bridge-2 C bridge-2
bridge-1 A B EEEEEE bridge-1
sheets CCCCCC sheets
4-turns >>>>XXXXX<<<< >4>>X>XXXX<<<< >>>>XX<<<< >>>>XXXXXXXXXXX<<<< >444X> 4-turns
summary gSSShHHHHHHHHHHHhTt tThHHHHHHHHHHht BhHHHHHHHHhTtTTtTTthHHHHHHHHHHHHHHHHHh BS SS SSeEEEEEEgGGGghH summary
sequence SDFLSTEEKEFLKKLQIDILSEKEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENMNINNLTA sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHTTSB SS TTSB HHHHHHHHTT EEEE S EEESS TT EEEEEE TT BEEEETTTEEEE SSEEEEEEEEEEEEETTEEEEEEEEE Kabs/Sand
chirality ++++++--++-++---++++++++++++---++---+--+------++++--------++-+----+-+-----++----+--+-+-+--+-+----+-- chirality
bends SSSSSSS SS SSS SSSSSSSSSS S SS SS SS SSS SS SSS bends
turns TTTTTT TTTT TTTTTTTTTTTT TTTT TTTT TTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 C hhhhhh IIII JJJJ*JJJJJJJ JJJJJJJJJ bridge-2
bridge-1 D D FFFF GGG EEEEEE BIIII GGG FFFF hhhhhh bridge-1
sheets CCCC DDD CCCCCC DDDD DDDD CCCCCCCCCCCCC CCCCCCCCC sheets
4-turns 4><<4< >>>>XX<<<< >444< 4-turns
summary HHHhTtB SStTTtBhHHHHHHHHhTteEEEE S eEEEeS tTTteEEEEEEetTTteEEEETTeEEEEeSSEEEEEEEEEEEEETTEEEEEEEEE summary
sequence TLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAK sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand EE HHHHHHHHHHHHHHHHHHHHHHTT TT EEEE STTHHHHHHHHHHHHHHHHHHS HHHHHHHHHHHHHTT EEEESS GGGSSTTGGG SS Kabs/Sand
chirality +--++++++++++++++++++++++-+--++-++---+++-++++++++++++++++++++--+++++++++++++-+----+-+--+++-++++++-+- chirality
bends SSSSSSSSSSSSSSSSSSSSSSS SS SSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSS SS SSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT T turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >3>X3<<>>3<< >33<>33< >>3<< >>3<< >>3<< > 3-turns
bridge-2 JJ llll bridge-2
bridge-1 kkkk kkkk bridge-1
sheets CC EEEE EEEE sheets
4-turns >>>>XXXXXXXXXXXXXXXX<<<< >>>>XXXXXXX<<<<>>>>XXXXXXX<<<< >444< 4-turns
summary EEhHHHHHHHHHHHHHHHHHHHHHHhTttTTt eEEEE tThHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHHHhTteEEEEeSgGGGgtTgGGGgSg summary
sequence VVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDE sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand GGG SSEEEETTTTEEEEESSS SS SSHHHHHHHHHHHHHHHHHHHTT TTS STTSHHHHHHHHHSTTSS TTGGG HHHHHHHHHHHHT SS Kabs/Sand
chirality +++--+-+----++-+-----++---++---+++++++++++++++++++++-+++-+-+++-+++++++++++++--++++--+++++++++++++-+- chirality
bends SSS SS SSS SSS SS SSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSS SS bends
turns TTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >3<< >33X33< >33X33< >33X33<>>><<<>33< >>3<< >>3<< > 3-turns
bridge-2 MMMM bridge-2
bridge-1 MMMM llll bridge-1
sheets EEEE EEEEE sheets
4-turns >444< >>>>XXXXXXXXXXXXX<<<< >>4>XX><<<< >444< >>>>XXXXXX<<<< > 4-turns
summary GGGg SeEEEETTTTEEEEEeSS SS ShHHHHHHHHHHHHHHHHHHHhTtTTt tTThHHHHHHHHHhTTtStTgGGGhHHHHHHHHHHHHhtSh summary
sequence IYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHSTD sequence
610 620 630 640 650 660 670 680 690 700
author author
Kabs/Sand HHHHHHHHHH HHHHHHHHHHTT Kabs/Sand
chirality +++++++++++++++++++++++ chirality
bends SSSSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 33< >33< >33<>>3>>XXXX<<>>X<<4< 4-turns
summary HHHHHHHHHHhHHHHHHHHHHhTt summary
sequence HAERLKVQKNAPKTFQFINDQIKFI sequence
710 720
Messages
chain break between 319(A 345 ) and 320(A 368 )