Secondary structure calculation program - copyright by David Keith Smith, 1989
1b25A.pdb
1B25 MOCO MOL_ID: 1; MOL_ID: 1;
Sequence length - 611
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 MET M 0 0 999.9 133.5 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 35
2 A 2 TYR Y + 0 0 -115.6 155.0 -179.8 5.9 999.9 150.2 505 -0.6 4 -2.2 0 0.0 0 0.0 10 45
3 A 3 GLY G S S S+ 0 0 76.8 -76.7 178.9 71.1 115.5 121.2 208 -2.5 0 0.0 0 0.0 0 0.0 13 65
4 A 4 TRP W - 0 0 -70.7 146.5 177.1 -153.0 68.2 115.6 2 -2.2 0 0.0 0 0.0 0 0.0 11 61
5 A 5 TRP W - 0 0 -86.4 -29.3 -176.3 -137.3 26.5 38.8 0 0.0 0 0.0 0 0.0 0 0.0 10 55
6 A 6 GLY G e + 0 0 74.8 21.8 -178.9 119.3 67.4 46.2 0 0.0 23 -2.0 0 0.0 0 0.0 12 50
7 A 7 ARG R E E AA - 22 0 -125.9 137.8 179.8 -170.5 45.3 163.9 0 0.0 107 -3.0 0 0.0 108 -0.7 13 51
8 A 8 ILE I E E AAb - 21 108 -127.4 122.8 178.5 -133.3 22.0 173.9 21 -2.7 21 -3.3 0 0.0 0 0.0 13 58
9 A 9 LEU L E E AAb - 20 109 -77.3 129.7 -179.0 -158.9 21.6 129.7 108 -2.9 110 -3.1 0 0.0 11 -0.5 13 58
10 A 10 ARG R E E AAb - 19 110 -116.0 122.2 179.4 -180.0 12.2 161.3 19 -3.4 19 -2.5 0 0.0 0 0.0 13 50
11 A 11 VAL V E E AAb - 18 111 -123.1 118.6 178.2 -166.7 8.7 168.9 110 -2.8 112 -2.6 9 -0.5 13 -0.7 12 54
12 A 12 ASN N E E >A b T - 0 112 -105.6 109.7 -178.6 -171.0 1.4 158.4 17 -2.9 16 -1.9 0 0.0 0 0.0 12 45
13 A 13 LEU L T e 4 TS+ 0 0 -74.7 -15.7 179.2 56.5 83.3 49.2 112 -2.9 0 0.0 11 -0.7 0 0.0 13 48
14 A 14 THR T T T 4 TS+ 0 0 -80.2 -43.9 -177.7 24.7 121.7 20.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
15 A 15 THR T T T 4 TS- 0 0 -95.2 -15.8 -177.7 -125.6 98.6 52.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
16 A 16 GLY G t < T + 0 0 82.3 1.0 -178.5 151.0 59.0 62.5 12 -1.9 0 0.0 0 0.0 0 0.0 8 33
17 A 17 GLU E e - 0 0 -74.9 131.7 177.6 -173.1 26.4 119.2 0 0.0 12 -2.9 0 0.0 0 0.0 9 31
18 A 18 VAL V E E AA + 11 0 -123.8 124.8 179.6 150.8 18.6 172.9 0 0.0 0 0.0 0 0.0 0 0.0 10 37
19 A 19 LYS K E E AA - 10 0 -147.1 167.3 178.4 -116.7 41.3 159.9 10 -2.5 10 -3.4 0 0.0 21 -0.5 7 36
20 A 20 VAL V E E AA - 9 0 -114.5 122.9 178.0 -152.7 21.5 162.6 0 0.0 22 -0.5 0 0.0 0 0.0 8 35
21 A 21 GLN Q E E AA - 8 0 -91.8 124.2 176.4 -152.4 6.7 148.3 8 -3.3 8 -2.7 19 -0.5 23 -0.5 8 36
22 A 22 GLU E E E AA - 7 0 -97.1 128.7 179.2 -165.9 16.2 150.2 20 -0.5 0 0.0 0 0.0 0 0.0 7 28
23 A 23 TYR Y e - 0 0 -113.8 156.7 -179.2 -87.4 26.9 147.2 6 -2.0 0 0.0 21 -0.5 0 0.0 9 38
24 A 24 PRO P h > > T - 0 0 -63.2 141.8 178.8 -129.3 23.9 108.2 0 0.0 28 -1.8 0 0.0 27 -1.1 7 27
25 A 25 GLU E H H > 3 TS+ 0 0 -59.8 -29.3 -179.8 59.5 109.8 36.8 0 0.0 29 -2.4 0 0.0 0 0.0 8 30
26 A 26 GLU E H H > 3 TS+ 0 0 -71.4 -27.1 178.8 49.7 103.7 36.9 0 0.0 30 -2.2 0 0.0 0 0.0 6 32
27 A 27 VAL V H H > < TS+ 0 0 -75.1 -38.4 179.5 51.6 110.3 25.9 24 -1.1 31 -2.8 0 0.0 0 0.0 9 48
28 A 28 ALA A H H X TS+ 0 0 -61.4 -46.1 179.3 41.5 114.9 21.9 24 -1.8 32 -2.2 0 0.0 0 0.0 13 55
29 A 29 LYS K H H < TS+ 0 0 -67.1 -41.7 -179.5 50.7 116.1 26.9 25 -2.4 0 0.0 0 0.0 0 0.0 7 54
30 A 30 LYS K H H < TS+ 0 0 -65.4 -41.6 -178.4 20.0 128.0 29.5 26 -2.2 0 0.0 0 0.0 0 0.0 7 55
31 A 31 PHE F H H < TS- 0 0 -108.2 -11.8 178.7 -157.2 84.1 54.6 27 -2.8 33 -2.7 0 0.0 0 0.0 12 65
32 A 32 ILE I h < T - 0 0 66.4 -52.7 -179.5 -77.1 48.3 106.0 28 -2.2 0 0.0 0 0.0 0 0.0 13 72
33 A 33 GLY G S h > > TS+ 0 0 154.8 -171.2 178.8 49.7 92.7 164.3 31 -2.7 36 -1.7 0 0.0 37 -0.7 17 75
34 A 34 GLY G H H > 3 TS+ 0 0 51.1 -125.9 179.2 3.7 122.4 99.0 62 -2.3 38 -2.8 0 0.0 0 0.0 16 79
35 A 35 ARG R H H > 3 TS+ 0 0 -58.3 -36.9 179.9 55.9 134.3 34.0 478 -2.6 39 -3.0 0 0.0 0 0.0 14 81
36 A 36 GLY G H H > < TS+ 0 0 -62.9 -47.7 178.5 41.9 111.6 19.5 33 -1.7 40 -1.8 0 0.0 0 0.0 14 76
37 A 37 LEU L H H X TS+ 0 0 -65.4 -40.8 179.7 52.1 115.3 23.7 33 -0.7 41 -2.3 0 0.0 0 0.0 13 75
38 A 38 ALA A H H X TS+ 0 0 -63.4 -42.7 -179.5 50.3 107.6 25.5 34 -2.8 42 -2.9 0 0.0 0 0.0 13 79
39 A 39 ALA A H H X TS+ 0 0 -64.9 -36.9 178.3 51.6 109.9 25.0 35 -3.0 43 -2.2 0 0.0 0 0.0 12 68
40 A 40 TRP W H H X TS+ 0 0 -63.1 -45.3 179.1 45.8 112.9 20.2 36 -1.8 44 -1.7 0 0.0 0 0.0 10 70
41 A 41 ILE I H H X TS+ 0 0 -64.4 -47.2 179.6 47.1 113.8 22.9 37 -2.3 45 -3.2 0 0.0 0 0.0 9 62
42 A 42 LEU L H H X TS+ 0 0 -64.9 -37.8 178.5 55.5 107.9 30.0 38 -2.9 46 -2.2 0 0.0 0 0.0 13 65
43 A 43 TRP W H H < TS+ 0 0 -56.8 -51.1 -178.7 33.4 119.6 14.5 39 -2.2 0 0.0 0 0.0 0 0.0 10 56
44 A 44 ASN N H H < TS+ 0 0 -74.0 -36.8 -174.4 29.0 131.8 29.7 40 -1.7 0 0.0 0 0.0 0 0.0 7 45
45 A 45 GLU E H H < TS+ 0 0 -114.1 5.6 178.8 52.6 113.7 69.6 41 -3.2 0 0.0 0 0.0 0 0.0 7 47
46 A 46 ALA A h < T + 0 0 -134.2 46.9 -179.5 154.7 66.6 104.6 42 -2.2 48 -0.7 0 0.0 0 0.0 12 49
47 A 47 ARG R S S S- 0 0 -81.4 111.7 178.6 -20.8 77.8 132.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47
48 A 48 GLY G S S S+ 0 0 70.4 6.9 -179.4 151.5 95.1 60.6 46 -0.7 0 0.0 0 0.0 0 0.0 5 38
49 A 49 VAL V - 0 0 -71.9 149.5 175.4 -111.5 53.5 105.8 0 0.0 0 0.0 0 0.0 0 0.0 9 40
50 A 50 GLU E t > T - 0 0 -74.4 130.7 -179.3 -128.5 30.7 134.4 0 0.0 53 -1.8 0 0.0 0 0.0 8 43
51 A 51 PRO P T T 3 TS+ 0 0 -54.9 -30.2 -180.0 40.4 105.0 36.1 0 0.0 0 0.0 0 0.0 0 0.0 12 56
52 A 52 LEU L T T 3 TS+ 0 0 -102.9 14.0 -179.3 101.7 96.2 77.2 0 0.0 0 0.0 0 0.0 0 0.0 10 51
53 A 53 SER S S t X TS- 0 0 -93.8 162.0 -179.8 -104.9 88.8 124.8 50 -1.8 56 -1.7 0 0.0 0 0.0 10 42
54 A 54 PRO P T T 3 TS+ 0 0 -59.0 -19.8 -178.3 67.5 114.8 44.7 0 0.0 113 -2.2 0 0.0 0 0.0 10 44
55 A 55 GLU E T T 3 TS+ 0 0 -77.7 -17.8 177.6 100.1 75.4 49.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
56 A 56 ASN N S t < TS- 0 0 -66.4 151.0 -179.8 -129.3 72.7 110.6 53 -1.7 0 0.0 0 0.0 0 0.0 15 60
57 A 57 LYS K - 0 0 -109.0 125.9 177.7 -155.7 11.3 158.6 0 0.0 59 -0.7 0 0.0 0 0.0 13 66
58 A 58 LEU L E E AC - 111 0 -99.7 116.9 -176.7 -164.7 20.7 153.8 111 -2.6 111 -2.9 0 0.0 0 0.0 13 82
59 A 59 ILE I E E ACD - 110 79 -113.8 132.0 176.9 -169.9 23.2 154.7 79 -3.2 79 -2.5 57 -0.7 61 -0.7 13 82
60 A 60 PHE F E E ACD - 109 78 -114.5 98.8 -176.1 -173.6 27.2 159.8 109 -3.0 109 -2.1 0 0.0 0 0.0 12 85
61 A 61 ALA A E E ACD + 108 77 -108.9 127.0 178.0 178.6 12.6 152.9 77 -2.6 77 -2.4 59 -0.7 0 0.0 16 80
62 A 62 ALA A e - 0 0 -107.5 -179.7 -179.5 -144.1 14.7 121.3 107 -2.6 34 -2.3 0 0.0 0 0.0 18 77
63 A 63 GLY G t > T - 0 0 -137.7 179.6 -179.2 -79.0 39.0 143.9 0 0.0 66 -1.7 0 0.0 0 0.0 13 85
64 A 64 PRO P T T 3 TS+ 0 0 -56.6 -26.8 179.0 59.3 123.9 42.1 0 0.0 0 0.0 0 0.0 0 0.0 15 78
65 A 65 PHE F T T > TS+ 0 0 -73.1 -25.4 -175.9 96.3 88.4 42.0 480 -2.4 68 -1.1 0 0.0 0 0.0 14 82
66 A 66 ASN N T T < TS+ 0 0 -75.0 143.6 -179.0 23.5 81.3 111.7 63 -1.7 0 0.0 480 -0.6 0 0.0 17 77
67 A 67 GLY G T T 3 TS+ 0 0 87.0 -6.3 -179.5 92.7 108.2 70.8 0 0.0 0 0.0 0 0.0 0 0.0 14 68
68 A 68 LEU L S t < TS- 0 0 -118.6 157.1 179.7 -97.9 93.4 144.1 65 -1.1 70 -2.3 0 0.0 0 0.0 8 66
69 A 69 PRO P + 0 0 -74.2 74.4 178.0 148.3 66.6 118.6 0 0.0 0 0.0 0 0.0 0 0.0 10 56
70 A 70 THR T t > T - 0 0 -106.9 150.3 -179.6 -80.5 62.5 146.0 68 -2.3 73 -2.2 0 0.0 0 0.0 10 70
71 A 71 PRO P T T 3 TS- 0 0 -53.5 111.8 -178.1 -21.5 110.1 109.3 0 0.0 0 0.0 0 0.0 0 0.0 11 63
72 A 72 SER S T T 3 TS+ 0 0 51.3 40.9 -179.0 148.0 95.4 29.1 286 -2.9 483 -2.7 0 0.0 0 0.0 13 67
73 A 73 GLY G t < T + 0 0 -97.8 37.5 -179.7 100.3 32.2 97.3 70 -2.2 0 0.0 0 0.0 0 0.0 16 68
74 A 74 GLY G e + 0 0 -110.8 34.4 -179.7 122.3 52.9 95.0 285 -0.7 95 -2.6 0 0.0 0 0.0 18 67
75 A 75 LYS K E E A E - 0 94 -92.3 163.3 -178.7 -165.9 39.7 118.5 481 -0.7 0 0.0 0 0.0 0 0.0 17 75
76 A 76 LEU L E E A E - 0 93 -152.9 141.9 179.8 -133.5 14.3 172.6 93 -1.5 93 -2.0 0 0.0 0 0.0 16 80
77 A 77 VAL V E E ADE - 61 92 -101.2 136.5 177.9 -165.3 12.5 143.5 61 -2.4 61 -2.6 0 0.0 0 0.0 17 85
78 A 78 VAL V E E ADE + 60 91 -120.0 121.8 -178.1 168.2 22.1 172.7 91 -2.6 91 -1.5 0 0.0 0 0.0 14 81
79 A 79 ALA A E E ADE + 59 90 -135.2 163.7 179.3 136.7 12.3 154.7 59 -2.5 59 -3.2 0 0.0 0 0.0 16 78
80 A 80 ALA A E E A E - 0 89 176.0 169.9 175.2 -62.5 64.9 159.0 89 -2.1 89 -1.4 0 0.0 0 0.0 16 75
81 A 81 LYS K E E A E - 0 88 -70.6 131.4 -177.0 -112.6 69.7 128.2 0 0.0 0 0.0 0 0.0 0 0.0 14 74
82 A 82 SER S e > T - 0 0 -75.6 127.0 178.9 -162.7 23.4 122.4 87 -2.6 86 -1.7 0 0.0 0 0.0 15 78
83 A 83 PRO P T T 4 TS+ 0 0 -75.8 -18.9 -179.5 50.1 96.1 45.4 0 0.0 0 0.0 0 0.0 0 0.0 13 66
84 A 84 LEU L T T 4 TS+ 0 0 -84.3 -43.0 -177.1 15.6 128.1 27.4 185 -1.1 0 0.0 0 0.0 0 0.0 12 72
85 A 85 THR T T T 4 TS- 0 0 -105.3 -28.5 -178.5 -130.3 87.5 47.0 0 0.0 0 0.0 0 0.0 0 0.0 12 70
86 A 86 GLY G S t < TS+ 0 0 87.0 3.4 179.4 80.5 79.8 59.7 82 -1.7 0 0.0 0 0.0 0 0.0 11 60
87 A 87 GLY G S e S- 0 0 -119.5 -153.7 178.5 -37.8 96.9 102.7 0 0.0 82 -2.6 0 0.0 0 0.0 11 68
88 A 88 TYR Y E E AE - 81 0 -72.5 133.8 179.9 -173.4 63.7 126.5 0 0.0 0 0.0 0 0.0 0 0.0 16 72
89 A 89 GLY G E E AE + 80 0 -135.5 136.8 176.5 147.2 13.3 172.4 80 -1.4 80 -2.1 0 0.0 0 0.0 14 81
90 A 90 ASP D E E AE - 79 0 -155.8 171.0 179.8 -175.0 15.1 167.4 0 0.0 0 0.0 0 0.0 0 0.0 16 86
91 A 91 GLY G E E AE - 78 0 -158.3 174.4 -176.6 -128.3 18.1 160.7 78 -1.5 78 -2.6 0 0.0 0 0.0 12 81
92 A 92 ASN N E E AE + 77 0 -135.7 146.9 175.0 175.9 20.1 161.3 0 0.0 0 0.0 0 0.0 0 0.0 12 75
93 A 93 LEU L E E AE - 76 0 -150.8 147.2 175.4 -124.0 30.0 171.9 76 -2.0 76 -1.5 0 0.0 0 0.0 11 73
94 A 94 GLY G E E AE + 75 0 -85.0 136.0 -177.7 144.8 50.4 141.7 0 0.0 0 0.0 0 0.0 0 0.0 14 70
95 A 95 THR T h > > T - 0 0 -171.6 147.5 177.4 -118.3 63.7 159.8 74 -2.6 98 -1.5 0 0.0 99 -0.8 16 69
96 A 96 MET M H H > 3 TS+ 0 0 -64.0 -15.7 177.3 75.4 110.3 46.4 0 0.0 100 -2.8 0 0.0 0 0.0 12 64
97 A 97 ALA A H H > 3 TS+ 0 0 -60.9 -37.7 179.4 55.8 90.8 29.3 0 0.0 101 -2.6 0 0.0 0 0.0 14 75
98 A 98 SER S H H > < TS+ 0 0 -58.4 -51.2 -179.5 42.3 110.7 19.0 95 -1.5 102 -1.5 0 0.0 0 0.0 15 80
99 A 99 VAL V H H X TS+ 0 0 -63.1 -48.3 179.7 46.2 117.5 20.8 95 -0.8 103 -2.3 0 0.0 0 0.0 15 68
100 A 100 HIS H H H X TS+ 0 0 -67.2 -33.7 179.1 57.8 106.4 35.1 96 -2.8 104 -1.1 0 0.0 0 0.0 15 63
101 A 101 LEU L H H < >TS+ 0 0 -62.3 -44.8 -179.2 39.4 113.8 19.3 97 -2.6 106 -1.7 0 0.0 0 0.0 17 72
102 A 102 ARG R H H < >5TS+ 0 0 -72.5 -40.6 177.8 51.7 114.1 26.0 98 -1.5 105 -1.5 0 0.0 0 0.0 15 67
103 A 103 ARG R H H < 35TS+ 0 0 -70.4 -14.0 177.3 62.1 103.6 47.1 99 -2.3 205 -2.3 0 0.0 204 -0.7 15 56
104 A 104 ALA A T h < 35TS- 0 0 -85.0 -10.2 177.5 -97.5 127.2 57.3 100 -1.1 0 0.0 0 0.0 0 0.0 15 54
105 A 105 GLY G T T <5TS+ 0 0 107.0 16.2 -178.4 108.7 85.2 52.4 102 -1.5 0 0.0 0 0.0 0 0.0 13 52
106 A 106 TYR Y t TS- 202 127 -133.4 96.6 -177.1 -68.8 70.9 148.3 127 -2.6 127 -2.4 0 0.0 0 0.0 10 44
125 A 125 ASP D T e 3 TS- 0 0 55.7 -119.1 -179.4 -9.9 119.3 111.3 202 -2.1 0 0.0 0 0.0 0 0.0 12 42
126 A 126 ASP D T T 3 TS+ 0 0 -84.9 -9.6 179.8 94.0 117.7 53.4 0 0.0 128 -0.9 0 0.0 0 0.0 7 36
127 A 127 ASN N E E BG < T + 124 0 -87.4 105.0 -179.7 167.4 53.0 137.7 124 -2.4 124 -2.6 0 0.0 0 0.0 7 34
128 A 128 VAL V E E BG + 123 0 -124.4 132.6 -179.3 167.8 3.4 170.0 126 -0.9 0 0.0 0 0.0 0 0.0 10 44
129 A 129 SER S E E BG - 122 0 -143.6 153.0 177.2 -133.5 34.6 164.2 122 -2.3 122 -2.9 0 0.0 131 -0.6 8 40
130 A 130 ILE I E E BG - 121 0 -105.1 118.5 -175.6 -171.4 39.1 164.2 0 0.0 0 0.0 0 0.0 0 0.0 10 45
131 A 131 LEU L E E BG - 120 0 -117.9 153.4 178.7 -92.7 29.0 147.4 120 -2.9 120 -2.3 129 -0.6 0 0.0 8 41
132 A 132 SER S E E BG + 119 0 -63.3 133.7 178.3 177.3 33.5 111.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
133 A 133 ALA A e > > T + 0 0 -122.2 22.1 -178.5 123.5 40.5 86.8 118 -2.8 137 -1.8 0 0.0 136 -1.3 11 47
134 A 134 GLU E T T 4 3 TS+ 0 0 -56.3 -32.2 178.5 49.6 75.1 37.1 118 -0.5 0 0.0 0 0.0 0 0.0 8 31
135 A 135 GLY G T T 4 3 TS+ 0 0 -78.2 -21.7 -179.9 51.1 110.8 43.7 0 0.0 0 0.0 0 0.0 0 0.0 5 30
136 A 136 LEU L T T 4 X TS+ 0 0 -83.9 -29.7 -177.5 112.0 80.1 39.0 133 -1.3 139 -2.5 0 0.0 0 0.0 8 43
137 A 137 TRP W T T < 3 TS+ 0 0 -53.8 122.3 -179.4 22.2 81.9 101.3 133 -1.8 0 0.0 0 0.0 0 0.0 9 50
138 A 138 GLY G T T 3 TS+ 0 0 105.8 -15.7 -180.0 122.8 94.7 79.5 0 0.0 0 0.0 0 0.0 0 0.0 7 44
139 A 139 LYS K t < T - 0 0 -79.3 156.3 179.7 -102.2 66.9 113.4 136 -2.5 0 0.0 0 0.0 0 0.0 9 46
140 A 140 THR T h > T - 0 0 -69.5 167.3 179.7 -107.5 32.7 103.2 0 0.0 144 -2.5 0 0.0 0 0.0 12 51
141 A 141 THR T H H > TS+ 0 0 -62.5 -42.7 -179.8 50.4 119.7 24.8 334 -2.5 145 -2.4 0 0.0 0 0.0 16 63
142 A 142 PHE F H H > TS+ 0 0 -60.1 -51.5 -178.2 44.1 113.2 23.3 0 0.0 146 -2.4 0 0.0 0 0.0 9 51
143 A 143 GLU E H H > TS+ 0 0 -64.5 -37.7 178.8 54.6 111.4 27.5 0 0.0 147 -2.9 0 0.0 0 0.0 8 39
144 A 144 THR T H H X TS+ 0 0 -62.1 -49.4 179.8 41.1 113.0 17.0 140 -2.5 148 -2.2 0 0.0 0 0.0 12 54
145 A 145 GLU E H H X TS+ 0 0 -66.7 -38.6 179.8 53.0 114.8 25.4 141 -2.4 149 -2.1 0 0.0 0 0.0 13 55
146 A 146 ARG R H H X TS+ 0 0 -60.9 -50.2 -179.7 45.0 111.3 19.0 142 -2.4 150 -1.6 0 0.0 0 0.0 8 37
147 A 147 GLU E H H X TS+ 0 0 -63.9 -38.6 179.4 53.9 110.7 29.3 143 -2.9 151 -0.7 0 0.0 0 0.0 8 39
148 A 148 LEU L H H X > TS+ 0 0 -64.1 -40.7 177.2 47.0 109.9 24.7 144 -2.2 152 -2.7 0 0.0 151 -0.7 10 47
149 A 149 LYS K H H X 3 TS+ 0 0 -69.8 -27.1 178.9 62.5 103.9 36.6 145 -2.1 153 -2.1 0 0.0 0 0.0 11 36
150 A 150 GLU E H H < 3 TS+ 0 0 -69.7 -19.4 177.9 34.9 114.9 43.2 146 -1.6 0 0.0 0 0.0 0 0.0 8 19
151 A 151 ILE I H H < < TS+ 0 0 -93.2 -61.2 -174.6 28.2 129.8 27.5 148 -0.7 0 0.0 147 -0.7 0 0.0 6 29
152 A 152 HIS H H H < TS- 0 0 -82.2 -14.4 -178.5 -100.9 111.0 50.7 148 -2.7 0 0.0 0 0.0 0 0.0 7 33
153 A 153 GLY G h < T - 0 0 110.4 160.6 -178.4 -84.0 32.7 108.6 149 -2.1 0 0.0 0 0.0 0 0.0 8 24
154 A 154 LYS K S S S+ 0 0 -77.4 -18.8 -178.3 80.4 107.8 45.5 0 0.0 156 -1.3 0 0.0 0 0.0 6 29
155 A 155 ASN N S S S+ 0 0 -90.0 55.6 177.7 93.8 73.4 109.8 0 0.0 0 0.0 0 0.0 0 0.0 6 37
156 A 156 VAL V S S S- 0 0 -136.3 157.7 176.9 -124.1 71.9 155.6 154 -1.3 0 0.0 0 0.0 0 0.0 13 49
157 A 157 GLY G E E BH - 201 0 -104.1 135.8 -178.0 -161.0 31.4 159.5 201 -2.8 201 -3.2 0 0.0 0 0.0 13 63
158 A 158 VAL V E E BH - 200 0 -127.6 136.5 177.5 -172.0 15.9 165.8 0 0.0 0 0.0 0 0.0 0 0.0 14 70
159 A 159 LEU L E E BH + 199 0 -120.0 131.0 -179.1 169.6 21.6 167.2 199 -2.5 199 -2.0 0 0.0 0 0.0 12 89
160 A 160 THR T E E BHA - 198 175 -140.9 165.0 172.7 -143.5 28.8 155.8 175 -2.4 175 -2.9 0 0.0 0 0.0 13 82
161 A 161 ILE I e - 0 0 -119.6 155.4 177.4 -150.3 19.7 149.3 197 -1.5 0 0.0 0 0.0 0 0.0 20 74
162 A 162 GLY G h > > T - 0 0 -110.1 -169.1 179.6 -66.7 48.7 118.1 0 0.0 166 -2.1 0 0.0 165 -1.0 15 76
163 A 163 PRO P H H > 3 TS+ 0 0 -50.7 -35.8 179.1 60.9 130.6 36.0 0 0.0 167 -2.8 0 0.0 0 0.0 13 63
164 A 164 ALA A H H 4 3>TS+ 0 0 -61.9 -39.4 177.9 42.9 108.7 27.9 335 -1.8 169 -2.9 0 0.0 0 0.0 18 72
165 A 165 GLY G H H 4 X5TS+ 0 0 -69.7 -45.8 179.4 51.1 113.9 19.5 162 -1.0 168 -1.9 335 -0.8 0 0.0 21 76
166 A 166 GLU E H H < 35TS+ 0 0 -56.4 -40.4 -179.4 47.6 112.1 28.5 162 -2.1 0 0.0 0 0.0 0 0.0 17 66
167 A 167 ASN N T h < 35TS- 0 0 -87.3 10.3 178.0 -118.0 114.4 74.7 163 -2.8 0 0.0 0 0.0 0 0.0 11 57
168 A 168 LEU L T T <5T - 0 0 56.9 37.1 176.0 -177.7 40.5 34.5 165 -1.9 0 0.0 0 0.0 0 0.0 12 62
169 A 169 VAL V t >CI T + 180 0 -145.3 141.3 177.1 1.6 66.2 174.1 180 -2.4 180 -2.2 0 0.0 0 0.0 15 72
177 A 177 GLN Q T T 4 TS- 0 0 52.8 42.6 179.3 -71.3 116.5 35.1 0 0.0 0 0.0 0 0.0 0 0.0 9 64
178 A 178 GLU E T T 4 TS+ 0 0 43.3 66.7 -179.8 30.3 129.5 23.1 0 0.0 0 0.0 0 0.0 0 0.0 10 62
179 A 179 GLY G T T 4 TS+ 0 0 150.6 -33.9 -180.0 103.2 84.5 82.9 0 0.0 0 0.0 0 0.0 0 0.0 10 70
180 A 180 ARG R E E > T - 0 0 94.7 48.5 178.6 -179.2 40.3 28.5 0 0.0 187 -2.3 0 0.0 186 -1.0 18 81
184 A 184 ARG R T T 4 3 TS+ 0 0 -42.4 -45.0 -179.5 70.2 77.4 38.3 0 0.0 186 -0.8 0 0.0 0 0.0 14 80
185 A 185 PRO P T T 4 3 TS- 0 0 -67.6 25.6 177.9 -77.4 131.5 83.5 0 0.0 84 -1.1 0 0.0 0 0.0 17 78
186 A 186 GLY G T h > < TS+ 0 0 89.1 28.9 179.5 146.5 80.2 39.1 183 -1.0 190 -1.7 184 -0.8 0 0.0 16 81
187 A 187 MET M H H X TS+ 0 0 -63.8 -34.1 178.9 54.5 77.8 30.2 183 -2.3 191 -2.4 0 0.0 0 0.0 21 83
188 A 188 GLY G H H > TS+ 0 0 -65.1 -36.9 179.0 50.8 106.7 30.5 172 -2.5 192 -2.4 0 0.0 0 0.0 18 82
189 A 189 ALA A H H > TS+ 0 0 -70.8 -32.4 178.2 51.5 108.5 34.1 172 -0.8 193 -2.1 0 0.0 0 0.0 19 78
190 A 190 VAL V H H X TS+ 0 0 -68.3 -43.8 179.9 47.7 111.2 18.4 186 -1.7 194 -0.8 0 0.0 0 0.0 17 74
191 A 191 MET M H H < >>TS+ 0 0 -61.2 -43.4 179.2 48.2 113.5 22.1 187 -2.4 196 -2.0 0 0.0 194 -0.9 14 85
192 A 192 GLY G H H < >5TS+ 0 0 -65.7 -34.2 -179.9 61.1 102.9 33.2 188 -2.4 195 -1.7 0 0.0 0 0.0 14 77
193 A 193 SER S H H < 35TS+ 0 0 -66.5 -19.1 179.2 51.8 104.0 46.1 189 -2.1 0 0.0 0 0.0 0 0.0 14 60
194 A 194 LYS K T h < <5TS- 0 0 -95.2 0.8 -176.6 -117.8 115.2 65.7 191 -0.9 115 -2.6 190 -0.8 0 0.0 14 65
195 A 195 LYS K T e <5T + 0 0 63.8 26.6 178.7 148.5 66.0 39.9 192 -1.7 119 -2.5 0 0.0 197 -0.8 13 60
196 A 196 LEU L E E Bf T + 0 0 -136.9 90.1 179.9 177.3 63.5 141.4 503 -3.1 215 -2.3 0 0.0 0 0.0 9 33
212 A 212 LYS K H H > TS+ 0 0 -57.5 -40.8 -179.5 53.0 84.6 30.9 0 0.0 216 -2.5 0 0.0 0 0.0 9 31
213 A 213 GLU E H H > TS+ 0 0 -64.8 -45.8 178.6 44.7 110.3 22.1 0 0.0 217 -2.5 0 0.0 0 0.0 6 25
214 A 214 GLU E H H > TS+ 0 0 -64.9 -40.1 179.2 53.7 112.3 27.1 0 0.0 218 -3.0 0 0.0 0 0.0 9 36
215 A 215 LEU L H H X TS+ 0 0 -57.9 -51.4 179.5 44.5 111.7 18.5 211 -2.3 219 -2.3 0 0.0 0 0.0 12 44
216 A 216 LYS K H H X TS+ 0 0 -60.5 -44.5 -178.9 49.0 115.1 23.5 212 -2.5 220 -2.0 0 0.0 0 0.0 9 35
217 A 217 LYS K H H X TS+ 0 0 -61.3 -53.7 179.6 44.6 113.3 17.6 213 -2.5 221 -2.1 0 0.0 0 0.0 8 29
218 A 218 LEU L H H X TS+ 0 0 -57.6 -49.4 179.4 51.3 112.2 26.8 214 -3.0 222 -2.9 0 0.0 0 0.0 11 38
219 A 219 SER S H H X TS+ 0 0 -57.0 -45.0 178.5 49.6 110.8 22.8 215 -2.3 223 -2.9 0 0.0 0 0.0 12 49
220 A 220 GLN Q H H X TS+ 0 0 -61.1 -44.5 179.0 47.6 111.7 24.9 216 -2.0 224 -2.4 0 0.0 0 0.0 8 34
221 A 221 GLU E H H X TS+ 0 0 -61.8 -48.0 179.6 47.9 113.6 19.2 217 -2.1 225 -2.8 0 0.0 0 0.0 8 35
222 A 222 ALA A H H X TS+ 0 0 -59.3 -44.5 179.7 52.0 110.6 22.2 218 -2.9 226 -2.3 0 0.0 0 0.0 12 46
223 A 223 TYR Y H H X TS+ 0 0 -59.3 -46.2 180.0 44.7 112.8 21.5 219 -2.9 227 -2.3 0 0.0 0 0.0 10 44
224 A 224 ASN N H H X TS+ 0 0 -67.3 -36.2 178.5 56.6 108.5 26.8 220 -2.4 228 -2.4 0 0.0 0 0.0 8 32
225 A 225 GLU E H H X TS+ 0 0 -60.9 -38.9 179.1 47.5 109.7 24.1 221 -2.8 229 -0.7 0 0.0 0 0.0 9 35
226 A 226 ILE I H H < > TS+ 0 0 -65.6 -51.3 179.3 50.2 110.8 17.6 222 -2.3 229 -1.1 0 0.0 0 0.0 14 44
227 A 227 LEU L H H < 3 TS+ 0 0 -55.4 -36.9 -178.3 41.9 116.5 31.9 223 -2.3 0 0.0 0 0.0 0 0.0 9 34
228 A 228 ASN N H H < 3 TS+ 0 0 -94.2 -0.3 180.0 116.6 85.6 64.1 224 -2.4 0 0.0 0 0.0 0 0.0 7 25
229 A 229 SER S S h < X TS- 0 0 -69.0 144.3 -179.9 -122.2 73.6 113.2 226 -1.1 232 -1.2 225 -0.7 0 0.0 10 28
230 A 230 PRO P T T 3 TS+ 0 0 -58.9 -21.7 -179.2 55.1 110.4 42.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
231 A 231 GLY G T h > 3 TS+ 0 0 -87.2 -16.7 -179.3 90.1 81.0 48.6 0 0.0 235 -2.4 0 0.0 0 0.0 10 37
232 A 232 TYR Y H H > < TS+ 0 0 -48.1 -48.1 -179.9 51.1 84.5 29.9 229 -1.2 236 -2.6 0 0.0 0 0.0 12 35
233 A 233 PRO P H H > TS+ 0 0 -61.2 -45.7 -178.5 40.7 114.6 20.9 0 0.0 237 -1.4 0 0.0 0 0.0 7 33
234 A 234 PHE F H H > >TS+ 0 0 -72.1 -30.9 178.3 54.5 113.7 32.5 0 0.0 238 -2.9 0 0.0 239 -0.6 9 40
235 A 235 TRP W H H X 5TS+ 0 0 -64.0 -46.7 -179.8 51.3 106.8 18.0 231 -2.4 239 -2.4 0 0.0 0 0.0 14 50
236 A 236 LYS K H H < 5TS+ 0 0 -57.8 -35.6 179.6 45.2 115.0 34.0 232 -2.6 0 0.0 0 0.0 0 0.0 10 46
237 A 237 ARG R H H < 5TS+ 0 0 -74.5 -54.5 -177.1 6.3 134.1 16.5 233 -1.4 0 0.0 0 0.0 0 0.0 7 46
238 A 238 GLN Q H H < >5TS- 0 0 -109.1 -18.6 -178.4 -174.5 74.7 49.7 234 -2.9 241 -1.7 0 0.0 0 0.0 14 52
239 A 239 GLY G G h < > TS+ 0 0 -68.6 -16.6 -179.4 84.6 123.4 46.6 0 0.0 243 -2.1 0 0.0 0 0.0 9 64
241 A 241 MET M G T X T + 0 0 -61.6 -13.6 177.6 79.2 69.5 48.9 238 -1.7 244 -1.4 0 0.0 271 -0.7 12 63
242 A 242 ALA A G h > < TS+ 0 0 -65.0 -20.3 -179.4 72.4 79.9 41.6 239 -1.3 246 -1.4 0 0.0 0 0.0 13 55
243 A 243 ALA A H H > < TS+ 0 0 -70.5 -21.5 -179.7 72.9 78.6 44.8 240 -2.1 247 -3.0 0 0.0 0 0.0 11 62
244 A 244 VAL V H H > < TS+ 0 0 -59.3 -50.6 179.5 34.1 106.7 17.0 241 -1.4 248 -2.0 0 0.0 0 0.0 14 63
245 A 245 GLU E H H > TS+ 0 0 -70.6 -38.9 -179.1 53.8 117.9 24.7 0 0.0 249 -2.6 0 0.0 0 0.0 12 51
246 A 246 TRP W H H X TS+ 0 0 -61.7 -44.3 179.4 43.2 112.8 22.9 242 -1.4 250 -1.3 0 0.0 0 0.0 10 51
247 A 247 CYS C H H < >TS+ 0 0 -70.2 -38.6 -179.9 51.7 112.9 26.6 243 -3.0 252 -2.9 0 0.0 253 -0.7 14 62
248 A 248 ASN N H H < >5TS+ 0 0 -63.8 -40.1 179.9 51.2 109.3 23.8 244 -2.0 251 -1.3 0 0.0 0 0.0 13 60
249 A 249 THR T H H < 35TS+ 0 0 -63.9 -31.6 -178.1 44.2 114.8 36.4 245 -2.6 0 0.0 0 0.0 0 0.0 8 48
250 A 250 ASN N T h < 35TS- 0 0 -104.1 19.1 178.5 -114.1 112.4 80.4 246 -1.3 0 0.0 0 0.0 0 0.0 8 51
251 A 251 TYR Y T T <5TS+ 0 0 52.8 37.9 -178.6 111.5 88.2 35.2 248 -1.3 0 0.0 0 0.0 0 0.0 12 58
252 A 252 ALA A t C >T - 260 0 -128.7 124.6 -178.8 -11.5 57.5 170.4 260 -2.0 260 -1.9 0 0.0 259 -0.8 15 70
256 A 256 ARG R T T 4 >5TS- 0 0 51.7 74.3 -178.6 -31.5 138.1 12.6 315 -1.9 259 -1.7 0 0.0 0 0.0 13 64
257 A 257 ASN N T T 4 35TS- 0 0 52.7 44.8 179.3 -58.7 117.9 28.4 316 -2.0 0 0.0 0 0.0 0 0.0 13 73
258 A 258 PHE F T T 4 35TS+ 0 0 63.5 16.1 178.9 138.2 99.1 51.8 0 0.0 0 0.0 0 0.0 0 0.0 11 76
259 A 259 SER S T T < <5TS+ 0 0 -55.8 -42.3 179.1 5.6 76.4 24.3 256 -1.7 0 0.0 255 -0.8 0 0.0 9 64
260 A 260 ASP D B B C T - 0 0 -116.0 123.7 -178.4 -148.4 14.5 161.7 0 0.0 266 -1.5 0 0.0 0 0.0 12 50
264 A 264 GLU E T T 3 TS+ 0 0 -63.7 -20.4 -179.0 45.9 99.2 42.3 262 -0.5 0 0.0 0 0.0 0 0.0 4 41
265 A 265 PHE F T g > TS+ 0 0 -113.4 30.2 -179.8 121.4 72.2 90.1 0 0.0 268 -0.6 0 0.0 0 0.0 8 42
266 A 266 ALA A G G X T + 0 0 -61.5 -35.2 -179.0 64.4 65.9 34.7 263 -1.5 269 -1.6 0 0.0 0 0.0 13 51
267 A 267 ARG R G G > TS+ 0 0 -58.8 -37.1 -179.9 56.2 97.1 27.5 0 0.0 270 -1.3 0 0.0 0 0.0 8 40
268 A 268 SER S G G < TS+ 0 0 -75.8 -1.8 177.0 36.7 115.6 64.4 265 -0.6 322 -2.0 0 0.0 0 0.0 9 44
269 A 269 ILE I G G < TS+ 0 0 -133.0 22.7 -178.4 111.2 100.3 89.1 266 -1.6 0 0.0 0 0.0 0 0.0 15 65
270 A 270 ASP D S h > < TS- 0 0 -96.3 -176.1 -179.1 -89.9 83.9 104.7 267 -1.3 274 -2.4 0 0.0 0 0.0 13 61
271 A 271 GLY G H H > TS+ 0 0 -61.6 -31.5 178.5 50.9 123.4 41.9 241 -0.7 275 -1.9 0 0.0 0 0.0 12 57
272 A 272 TYR Y H H > TS+ 0 0 -73.3 -42.3 177.9 49.1 110.3 28.6 0 0.0 276 -1.8 0 0.0 0 0.0 8 43
273 A 273 THR T H H > TS+ 0 0 -61.4 -42.5 178.9 51.2 111.3 20.4 0 0.0 277 -0.6 0 0.0 0 0.0 11 43
274 A 274 MET M H H X > TS+ 0 0 -60.7 -45.0 179.6 54.8 105.7 23.6 270 -2.4 277 -1.6 0 0.0 278 -1.0 13 56
275 A 275 GLU E H H < > TS+ 0 0 -56.5 -39.6 -179.6 52.1 106.4 26.9 271 -1.9 278 -0.6 0 0.0 0 0.0 9 44
276 A 276 GLY G H H < 3 TS+ 0 0 -73.0 -10.8 179.9 41.1 115.9 54.2 272 -1.8 0 0.0 0 0.0 0 0.0 6 33
277 A 277 MET M H H < < TS+ 0 0 -114.0 -1.6 -178.1 122.1 85.4 68.3 274 -1.6 296 -0.8 273 -0.6 0 0.0 8 41
278 A 278 LYS K E E T - 0 0 -85.8 164.8 -179.7 -72.6 66.0 114.5 0 0.0 287 -1.2 0 0.0 0 0.0 12 58
285 A 285 PRO P T T 3 TS+ 0 0 -61.3 143.8 178.4 10.3 114.3 107.3 0 0.0 74 -0.7 0 0.0 0 0.0 12 52
286 A 286 TYR Y T T 3 TS+ 0 0 64.0 22.5 -179.8 133.3 92.7 46.9 0 0.0 72 -2.9 0 0.0 288 -0.5 10 48
287 A 287 CYS C t < T - 0 0 -108.4 126.7 178.6 -174.4 37.4 155.1 284 -1.2 0 0.0 0 0.0 0 0.0 11 54
288 A 288 ASN N S S S+ 0 0 -99.6 12.9 177.0 61.3 82.6 76.9 286 -0.5 0 0.0 0 0.0 0 0.0 9 47
289 A 289 MET M S S S- 0 0 -133.8 58.2 -179.7 -166.1 79.1 111.5 0 0.0 0 0.0 0 0.0 0 0.0 11 52
290 A 290 PRO P + 0 0 -48.3 131.9 -179.9 173.4 16.6 94.4 0 0.0 0 0.0 0 0.0 0 0.0 10 51
291 A 291 CYS C + 0 0 -128.1 9.8 178.3 116.4 39.5 75.9 0 0.0 293 -1.9 0 0.0 0 0.0 12 61
292 A 292 GLY G E E DJ - 282 0 -80.9 80.6 -177.7 -168.6 51.1 124.6 282 -2.5 282 -2.6 0 0.0 294 -0.6 12 59
293 A 293 ASN N E E DJK - 281 305 -81.1 115.6 -178.4 -157.8 3.9 128.9 291 -1.9 305 -2.8 305 -0.6 0 0.0 14 55
294 A 294 VAL V E E DJK + 280 304 -98.7 128.2 178.0 173.7 14.7 141.7 280 -2.8 279 -3.3 292 -0.6 280 -1.5 13 54
295 A 295 VAL V E E DJK - 278 303 -118.3 173.4 174.4 -108.5 35.8 130.2 303 -2.6 303 -2.0 0 0.0 297 -0.5 14 51
296 A 296 LEU L E E D K - 0 302 -104.3 130.2 179.4 -141.8 38.4 161.6 277 -0.8 0 0.0 0 0.0 0 0.0 14 37
297 A 297 ASP D e > T - 0 0 -80.1 -176.9 -178.9 -79.9 36.6 97.4 301 -2.8 300 -2.3 295 -0.5 0 0.0 14 46
298 A 298 ALA A T T 3 TS+ 0 0 -61.0 -13.1 -179.9 50.3 132.8 53.8 323 -2.4 0 0.0 0 0.0 0 0.0 9 36
299 A 299 GLU E T T 3 TS- 0 0 -110.0 14.6 179.0 -105.3 121.4 82.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
300 A 300 GLY G S t < TS+ 0 0 71.7 16.1 -179.3 133.3 77.8 50.7 297 -2.3 0 0.0 0 0.0 0 0.0 6 24
301 A 301 GLN Q e - 0 0 -100.9 149.6 178.5 -102.7 62.1 137.4 0 0.0 297 -2.8 0 0.0 0 0.0 8 32
302 A 302 GLU E E E DK + 296 0 -70.0 140.2 -178.2 176.0 41.0 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
303 A 303 SER S E E DK - 295 0 -150.6 120.3 -179.8 -138.9 25.1 163.3 295 -2.0 295 -2.6 0 0.0 305 -0.6 13 57
304 A 304 GLU E E E DK - 294 0 -84.4 118.6 -177.3 -149.9 26.4 137.7 0 0.0 0 0.0 0 0.0 0 0.0 13 68
305 A 305 LEU L E E DK + 293 0 -100.4 135.9 176.4 174.4 20.6 138.2 293 -2.8 293 -0.6 303 -0.6 0 0.0 13 71
306 A 306 ASP D h > T - 0 0 -128.1 151.1 -178.7 -111.2 42.1 159.0 0 0.0 310 -1.9 0 0.0 0 0.0 11 75
307 A 307 TYR Y H H > TS+ 0 0 -47.5 -58.0 -179.6 51.1 114.9 23.5 0 0.0 311 -3.1 0 0.0 0 0.0 12 73
308 A 308 GLU E H H > TS+ 0 0 -48.8 -46.0 -179.6 54.0 108.2 27.9 0 0.0 312 -2.8 0 0.0 0 0.0 10 72
309 A 309 ASN N H H > TS+ 0 0 -55.6 -48.4 -179.3 41.6 113.8 21.6 0 0.0 313 -1.8 0 0.0 0 0.0 12 80
310 A 310 VAL V H H X >TS+ 0 0 -70.0 -41.8 178.5 50.1 114.5 27.8 306 -1.9 314 -1.3 0 0.0 315 -0.7 15 82
311 A 311 ALA A H H < >TS+ 0 0 -63.5 -45.1 -177.9 37.0 119.1 18.5 307 -3.1 316 -2.7 0 0.0 0 0.0 14 81
312 A 312 LEU L H H < 5TS+ 0 0 -81.3 -23.6 178.8 37.7 126.1 39.6 308 -2.8 0 0.0 0 0.0 0 0.0 17 84
313 A 313 LEU L H H < 5TS+ 0 0 -104.0 -0.8 -178.9 28.9 129.5 61.8 309 -1.8 0 0.0 0 0.0 0 0.0 16 78
314 A 314 GLY G T h < >>TS+ 0 0 -119.2 -89.0 179.7 18.8 127.5 51.0 310 -1.3 319 -2.7 0 0.0 317 -1.2 15 82
315 A 315 SER S G G > > T - 0 0 -122.7 121.3 -178.2 -152.3 60.2 170.5 0 0.0 325 -2.2 0 0.0 324 -0.6 9 50
322 A 322 LEU L H H > 3 TS+ 0 0 -60.2 -35.0 -179.8 59.4 95.3 31.7 268 -2.0 326 -2.5 0 0.0 0 0.0 14 62
323 A 323 ASN N H H > 3 TS+ 0 0 -62.4 -34.3 179.6 43.1 110.2 28.3 0 0.0 298 -2.4 0 0.0 327 -0.6 9 54
324 A 324 GLU E H H > X TS+ 0 0 -77.1 -43.2 177.3 51.2 111.9 24.8 321 -0.6 328 -1.5 0 0.0 327 -1.0 11 54
325 A 325 VAL V H H X 3 TS+ 0 0 -60.1 -35.1 -179.8 59.6 106.1 28.2 321 -2.2 329 -2.3 0 0.0 0 0.0 15 71
326 A 326 SER S H H X 3 TS+ 0 0 -65.5 -28.5 176.8 55.8 98.7 41.0 322 -2.5 330 -2.2 0 0.0 0 0.0 16 65
327 A 327 VAL V H H X < TS+ 0 0 -68.1 -44.1 178.5 45.7 110.0 20.4 324 -1.0 331 -2.2 323 -0.6 0 0.0 14 55
328 A 328 LEU L H H X TS+ 0 0 -63.4 -38.5 179.3 53.2 112.0 25.6 324 -1.5 332 -2.3 0 0.0 0 0.0 12 71
329 A 329 ASN N H H X TS+ 0 0 -62.1 -48.6 179.9 47.7 108.6 22.0 325 -2.3 333 -2.2 0 0.0 0 0.0 15 77
330 A 330 ARG R H H X TS+ 0 0 -61.9 -40.7 177.8 53.9 109.7 28.7 326 -2.2 334 -3.0 0 0.0 0 0.0 11 64
331 A 331 ILE I H H X TS+ 0 0 -60.0 -44.6 179.2 50.8 107.4 21.3 327 -2.2 335 -2.8 0 0.0 0 0.0 10 70
332 A 332 ALA A H H X >TS+ 0 0 -59.6 -45.7 179.0 43.8 114.6 21.8 328 -2.3 337 -2.3 0 0.0 336 -1.2 13 80
333 A 333 ASP D H H < 5TS+ 0 0 -64.9 -46.3 -179.4 48.0 114.8 23.8 329 -2.2 0 0.0 0 0.0 0 0.0 15 71
334 A 334 GLU E H H < 5TS+ 0 0 -60.6 -44.2 -178.8 40.7 118.2 29.6 330 -3.0 141 -2.5 0 0.0 0 0.0 11 63
335 A 335 MET M H H < 5TS- 0 0 -80.0 -18.6 -179.3 -122.6 110.5 51.5 331 -2.8 164 -1.8 0 0.0 165 -0.8 14 74
336 A 336 GLY G T h < 5T + 0 0 75.0 53.0 177.5 135.7 61.6 15.2 332 -1.2 173 -1.6 0 0.0 0 0.0 19 77
337 A 337 MET M B B B T - 0 0 -53.8 124.0 178.6 -149.1 24.6 109.7 171 -2.7 342 -1.9 0 0.0 0 0.0 14 86
339 A 339 THR T H H > TS+ 0 0 -63.2 -36.3 -178.0 51.0 94.9 32.4 0 0.0 343 -2.2 0 0.0 0 0.0 13 80
340 A 340 ILE I H H > TS+ 0 0 -67.7 -58.1 -179.7 37.3 115.2 11.8 0 0.0 344 -2.9 0 0.0 0 0.0 14 81
341 A 341 SER S H H > TS+ 0 0 -65.2 -32.7 177.3 55.1 116.6 33.0 0 0.0 345 -2.5 0 0.0 0 0.0 14 88
342 A 342 LEU L H H X TS+ 0 0 -62.5 -50.7 -179.7 42.6 112.6 16.3 338 -1.9 346 -2.4 0 0.0 0 0.0 15 90
343 A 343 GLY G H H X TS+ 0 0 -63.1 -43.0 179.7 48.9 114.4 25.3 339 -2.2 347 -2.5 0 0.0 0 0.0 12 88
344 A 344 VAL V H H X TS+ 0 0 -66.0 -36.7 177.9 49.0 113.2 24.0 340 -2.9 348 -2.2 0 0.0 0 0.0 15 84
345 A 345 SER S H H X TS+ 0 0 -67.8 -39.9 179.0 46.3 113.3 27.0 341 -2.5 349 -1.6 0 0.0 0 0.0 13 87
346 A 346 ILE I H H X TS+ 0 0 -69.8 -34.7 179.7 50.4 112.5 29.0 342 -2.4 350 -1.9 0 0.0 0 0.0 13 85
347 A 347 ALA A H H X TS+ 0 0 -69.4 -37.6 179.2 55.4 106.7 30.4 343 -2.5 351 -2.1 0 0.0 0 0.0 13 79
348 A 348 HIS H H H X TS+ 0 0 -60.8 -42.4 179.0 46.9 109.3 23.0 344 -2.2 352 -2.0 0 0.0 0 0.0 13 76
349 A 349 VAL V H H X TS+ 0 0 -66.4 -39.7 -179.5 55.2 108.9 30.0 345 -1.6 353 -2.2 0 0.0 0 0.0 13 69
350 A 350 MET M H H X TS+ 0 0 -63.7 -40.5 179.3 46.0 109.2 26.1 346 -1.9 354 -2.3 0 0.0 0 0.0 13 60
351 A 351 GLU E H H X TS+ 0 0 -68.6 -41.6 179.4 50.6 112.5 22.1 347 -2.1 355 -2.5 0 0.0 0 0.0 12 51
352 A 352 ALA A H H < >TS+ 0 0 -63.7 -35.0 178.8 48.9 111.6 31.9 348 -2.0 357 -1.6 0 0.0 358 -1.6 11 44
353 A 353 VAL V H H < >5TS+ 0 0 -70.5 -43.6 -179.8 48.2 111.6 23.7 349 -2.2 356 -1.2 0 0.0 0 0.0 14 39
354 A 354 GLU E H H < 35TS+ 0 0 -64.3 -36.5 -179.4 50.4 111.6 27.7 350 -2.3 0 0.0 0 0.0 0 0.0 8 30
355 A 355 ARG R T h < 35TS- 0 0 -82.2 0.5 179.2 -116.7 115.3 64.1 351 -2.5 0 0.0 0 0.0 0 0.0 7 28
356 A 356 GLY G T T <5TS+ 0 0 78.6 1.5 179.5 117.6 84.7 62.0 353 -1.2 0 0.0 0 0.0 0 0.0 7 20
357 A 357 ILE I S t T - 0 0 -117.6 175.8 -179.9 -60.0 42.1 132.7 0 0.0 366 -1.8 0 0.0 0 0.0 11 44
364 A 364 PHE F T T 3 TS+ 0 0 -62.0 138.1 179.8 18.1 123.1 107.1 0 0.0 0 0.0 0 0.0 0 0.0 11 51
365 A 365 GLY G T T 3 TS+ 0 0 82.5 -0.2 -179.5 129.6 87.2 65.3 317 -3.1 367 -1.2 0 0.0 0 0.0 8 50
366 A 366 ASP D h > < T + 0 0 -90.6 91.8 -179.7 172.6 27.6 137.4 363 -1.8 370 -1.8 0 0.0 0 0.0 10 42
367 A 367 PHE F H H > TS+ 0 0 -66.2 -47.2 -179.6 50.0 76.3 21.1 365 -1.2 371 -2.6 0 0.0 0 0.0 8 45
368 A 368 LYS K H H > TS+ 0 0 -59.7 -42.7 179.4 46.2 114.0 24.0 0 0.0 372 -2.1 0 0.0 0 0.0 6 36
369 A 369 GLY G H H > TS+ 0 0 -68.0 -36.1 179.3 51.9 111.4 30.0 0 0.0 373 -2.1 0 0.0 0 0.0 10 44
370 A 370 ALA A H H X TS+ 0 0 -65.7 -41.2 -178.8 49.9 109.5 24.7 366 -1.8 374 -2.3 0 0.0 0 0.0 11 62
371 A 371 LYS K H H X TS+ 0 0 -64.0 -44.0 -179.5 49.3 110.7 22.9 367 -2.6 375 -2.3 0 0.0 0 0.0 10 58
372 A 372 GLN Q H H X TS+ 0 0 -63.9 -39.9 179.2 47.8 112.3 25.9 368 -2.1 376 -2.5 0 0.0 0 0.0 8 46
373 A 373 LEU L H H X TS+ 0 0 -68.9 -37.6 178.8 54.1 108.7 28.8 369 -2.1 377 -2.1 0 0.0 0 0.0 12 56
374 A 374 ALA A H H X TS+ 0 0 -61.3 -44.7 179.4 44.2 112.6 20.0 370 -2.3 378 -2.2 0 0.0 0 0.0 14 69
375 A 375 LEU L H H X TS+ 0 0 -66.7 -40.3 179.2 51.9 112.5 24.9 371 -2.3 379 -2.2 0 0.0 0 0.0 9 55
376 A 376 ASP D H H < >TS+ 0 0 -66.3 -30.0 177.2 51.3 109.1 37.7 372 -2.5 381 -2.2 0 0.0 0 0.0 12 48
377 A 377 ILE I H H < >5TS+ 0 0 -70.5 -47.4 -177.7 48.4 110.1 15.6 373 -2.1 380 -1.0 0 0.0 0 0.0 14 61
378 A 378 ALA A H H < 35TS+ 0 0 -59.9 -39.9 -179.0 33.3 122.8 30.8 374 -2.2 0 0.0 0 0.0 0 0.0 16 61
379 A 379 TYR Y T h < 35TS- 0 0 -96.8 1.2 -177.9 -127.3 105.1 68.8 375 -2.2 0 0.0 0 0.0 0 0.0 10 47
380 A 380 ARG R T T <5T + 0 0 47.9 51.8 -180.0 165.5 49.1 22.6 377 -1.0 382 -0.6 0 0.0 0 0.0 12 42
381 A 381 LYS K h > TS- 0 0 93.8 162.0 -179.3 -78.3 88.1 90.2 380 -0.6 386 -2.0 0 0.0 0 0.0 7 26
383 A 383 GLU E H H > TS+ 0 0 -65.2 -45.4 -179.5 47.3 128.2 20.2 0 0.0 387 -2.0 0 0.0 0 0.0 6 31
384 A 384 LEU L H H > TS+ 0 0 -64.0 -44.9 178.6 48.5 112.8 24.2 0 0.0 388 -2.8 0 0.0 0 0.0 9 46
385 A 385 GLY G H H X TS+ 0 0 -62.1 -39.7 179.6 49.0 112.5 26.4 381 -0.5 389 -1.4 0 0.0 0 0.0 15 53
386 A 386 ASN N H H < TS+ 0 0 -68.4 -34.2 179.8 48.2 112.6 30.6 382 -2.0 0 0.0 0 0.0 0 0.0 12 44
387 A 387 LEU L H H < > TS+ 0 0 -70.9 -51.5 -179.4 46.1 112.4 13.3 383 -2.0 390 -2.1 0 0.0 0 0.0 9 53
388 A 388 ALA A H H < > TS+ 0 0 -64.4 -21.2 178.9 68.9 101.6 40.8 384 -2.8 391 -1.2 0 0.0 0 0.0 13 69
389 A 389 ALA A T h < 3 TS+ 0 0 -71.0 -13.6 179.8 63.4 91.4 50.9 385 -1.4 170 -2.6 0 0.0 0 0.0 13 67
390 A 390 GLU E T T < TS- 0 0 -86.1 -14.0 -177.5 -112.1 111.1 50.6 387 -2.1 0 0.0 0 0.0 0 0.0 13 68
391 A 391 GLY G h > < T - 0 0 99.1 161.7 -178.4 -75.9 33.9 100.4 388 -1.2 395 -2.5 0 0.0 0 0.0 17 74
392 A 392 VAL V H H > TS+ 0 0 -67.5 -34.3 179.6 57.4 125.0 35.4 0 0.0 396 -2.6 0 0.0 0 0.0 15 64
393 A 393 LYS K H H > TS+ 0 0 -59.8 -53.0 -180.0 36.7 115.7 10.8 0 0.0 397 -1.6 0 0.0 0 0.0 13 55
394 A 394 ALA A H H > TS+ 0 0 -64.9 -44.8 -179.9 51.8 117.2 25.2 0 0.0 398 -1.5 0 0.0 0 0.0 9 46
395 A 395 MET M H H X TS+ 0 0 -61.0 -39.0 179.6 52.3 108.7 25.5 391 -2.5 399 -2.0 0 0.0 0 0.0 12 50
396 A 396 ALA A H H X >TS+ 0 0 -66.6 -36.3 179.0 56.9 103.1 33.4 392 -2.6 400 -2.2 0 0.0 401 -1.3 11 47
397 A 397 GLU E H H < 5TS+ 0 0 -63.1 -35.5 -179.7 43.8 112.1 28.0 393 -1.6 0 0.0 0 0.0 0 0.0 9 30
398 A 398 LYS K H H < 5TS+ 0 0 -77.0 -37.8 -177.1 34.9 122.7 31.9 394 -1.5 0 0.0 0 0.0 0 0.0 7 28
399 A 399 LEU L H H < 5TS- 0 0 -94.7 -13.5 -177.9 -121.5 102.0 53.2 395 -2.0 0 0.0 0 0.0 0 0.0 7 37
400 A 400 GLY G T h < 5TS+ 0 0 72.9 37.3 -178.1 130.9 71.9 30.6 396 -2.2 0 0.0 0 0.0 0 0.0 6 27
401 A 401 THR T g > T + 0 0 -54.3 -30.0 -179.7 74.6 61.8 39.5 0 0.0 405 -1.6 0 0.0 0 0.0 8 43
403 A 403 ASP D G G 3 TS+ 0 0 -55.4 -36.8 178.6 27.1 109.7 37.2 0 0.0 0 0.0 0 0.0 0 0.0 6 41
404 A 404 PHE F G G < TS+ 0 0 -118.4 32.9 178.2 122.1 86.2 93.1 401 -1.6 406 -1.0 0 0.0 0 0.0 9 57
405 A 405 ALA A g < T - 0 0 -96.1 99.2 -177.0 -155.1 50.6 145.2 402 -1.6 407 -1.3 0 0.0 0 0.0 11 61
406 A 406 MET M e + 0 0 -82.6 92.4 -179.2 102.3 46.6 125.4 404 -1.0 413 -2.2 0 0.0 0 0.0 14 72
407 A 407 HIS H E E EL - 412 0 -160.1 161.7 173.9 -142.8 54.4 166.1 405 -1.3 0 0.0 0 0.0 0 0.0 14 70
408 A 408 VAL V E E EL > TS- 411 0 -133.1 124.1 -178.8 -8.2 92.2 173.0 411 -2.2 435 -1.8 0 0.0 411 -1.7 16 64
409 A 409 LYS K T T 3 TS- 0 0 62.0 23.1 179.9 -58.5 129.7 47.2 0 0.0 0 0.0 0 0.0 0 0.0 10 66
410 A 410 GLY G T T 3 TS+ 0 0 94.0 -16.6 178.3 114.1 112.8 75.4 0 0.0 412 -0.5 0 0.0 0 0.0 13 67
411 A 411 LEU L E E EL < TS- 408 0 -92.3 128.6 -178.6 -112.9 72.8 144.7 408 -1.7 408 -2.2 0 0.0 435 -0.6 17 73
412 A 412 GLU E E E EL - 407 0 -62.1 142.7 179.8 -104.4 31.9 104.4 410 -0.5 0 0.0 0 0.0 0 0.0 16 84
413 A 413 VAL V e - 0 0 -67.1 141.6 -179.3 -137.0 39.6 113.1 406 -2.2 0 0.0 0 0.0 0 0.0 14 80
414 A 414 SER S - 0 0 -87.5 -155.7 -173.1 -50.5 42.3 86.0 0 0.0 416 -0.6 0 0.0 0 0.0 11 80
415 A 415 GLY G S S S+ 0 0 -73.0 22.4 -179.5 84.5 102.0 83.1 0 0.0 0 0.0 0 0.0 0 0.0 13 80
416 A 416 TYR Y - 0 0 -129.3 113.8 -179.6 -149.4 62.4 165.1 414 -0.6 418 -0.6 0 0.0 0 0.0 10 81
417 A 417 ASN N - 0 0 -82.9 118.7 -174.8 -168.8 13.2 137.1 252 -2.5 0 0.0 0 0.0 0 0.0 11 82
418 A 418 CYS C t > T + 0 0 -104.1 34.7 178.4 127.1 41.6 93.1 416 -0.6 421 -0.9 0 0.0 0 0.0 10 75
419 A 419 TYR Y T T 3 TS+ 0 0 -54.7 -38.3 -178.1 21.5 96.1 28.8 0 0.0 0 0.0 0 0.0 0 0.0 12 65
420 A 420 ILE I T T 3 TS+ 0 0 -117.5 19.6 -178.5 88.1 108.1 78.7 0 0.0 0 0.0 0 0.0 0 0.0 8 62
421 A 421 TYR Y h > < T + 0 0 -124.3 86.4 -179.5 174.1 43.6 137.2 418 -0.9 425 -2.4 0 0.0 0 0.0 11 70
422 A 422 PRO P H H > TS+ 0 0 -58.1 -41.2 -179.1 49.7 80.5 35.6 0 0.0 426 -1.9 0 0.0 0 0.0 14 64
423 A 423 ALA A H H > TS+ 0 0 -70.1 -37.3 179.8 46.3 113.2 27.0 0 0.0 427 -1.6 0 0.0 0 0.0 13 66
424 A 424 MET M H H > TS+ 0 0 -70.8 -36.6 178.0 52.3 111.8 25.7 0 0.0 428 -2.2 0 0.0 0 0.0 14 72
425 A 425 ALA A H H X TS+ 0 0 -63.5 -38.9 178.6 48.5 110.1 28.1 421 -2.4 429 -2.7 0 0.0 0 0.0 10 80
426 A 426 LEU L H H X TS+ 0 0 -68.6 -34.0 178.8 56.0 107.8 34.9 422 -1.9 430 -2.7 0 0.0 0 0.0 16 78
427 A 427 ALA A H H X TS+ 0 0 -64.6 -43.5 178.4 41.8 111.9 23.4 423 -1.6 431 -1.0 0 0.0 0 0.0 15 73
428 A 428 TYR Y H H < TS+ 0 0 -68.6 -42.1 -179.4 52.8 114.7 21.6 424 -2.2 0 0.0 0 0.0 0 0.0 14 64
429 A 429 GLY G H H < TS+ 0 0 -61.5 -37.7 -177.8 34.8 117.9 29.5 425 -2.7 0 0.0 0 0.0 0 0.0 13 71
430 A 430 THR T H H < TS+ 0 0 -98.8 -3.7 179.8 136.3 79.1 62.2 426 -2.7 0 0.0 0 0.0 0 0.0 10 84
431 A 431 SER S h < > T - 0 0 -47.6 125.4 -177.5 -130.8 58.2 102.2 427 -1.0 434 -1.3 0 0.0 0 0.0 12 75
432 A 432 ALA A T T 3 TS+ 0 0 -55.0 -23.8 -178.4 35.4 103.5 46.6 0 0.0 0 0.0 0 0.0 0 0.0 8 81
433 A 433 ILE I T T 3 TS- 0 0 -112.4 1.1 -176.7 -87.0 125.3 66.3 0 0.0 0 0.0 0 0.0 0 0.0 12 73
434 A 434 GLY G S t < TS- 0 0 115.0 177.2 -178.2 -4.6 86.1 125.5 431 -1.3 0 0.0 0 0.0 0 0.0 15 70
435 A 435 ALA A S S S+ 0 0 -49.1 113.1 178.3 126.9 82.9 99.5 408 -1.8 0 0.0 411 -0.6 0 0.0 16 70
436 A 436 HIS H - 0 0 -164.0 149.2 179.1 -141.8 56.4 161.6 0 0.0 0 0.0 0 0.0 0 0.0 13 69
437 A 437 HIS H S t > TS+ 0 0 -92.0 -9.0 -179.3 99.1 80.8 59.5 0 0.0 440 -0.7 0 0.0 0 0.0 13 75
438 A 438 LYS K T T 3 TS+ 0 0 -42.1 -56.6 -175.1 40.5 82.8 28.7 0 0.0 0 0.0 0 0.0 0 0.0 7 69
439 A 439 GLU E T T 3 TS+ 0 0 -75.9 -19.4 -178.9 15.9 130.4 47.0 0 0.0 474 -0.6 0 0.0 0 0.0 14 65
440 A 440 ALA A t < T + 0 0 -160.1 96.0 176.7 179.6 51.9 135.6 437 -0.7 442 -1.2 0 0.0 0 0.0 14 56
441 A 441 TRP W + 0 0 -96.6 79.2 -176.0 149.5 30.2 138.2 0 0.0 0 0.0 0 0.0 0 0.0 10 62
442 A 442 VAL V h > T + 0 0 -93.4 -5.4 -179.5 87.8 44.1 61.2 440 -1.2 446 -2.0 0 0.0 0 0.0 12 59
443 A 443 ILE I H H > TS+ 0 0 -63.1 -34.1 179.6 58.1 84.8 28.1 0 0.0 447 -1.9 0 0.0 0 0.0 9 62
444 A 444 ALA A H H > >TS+ 0 0 -59.2 -53.1 179.0 41.6 110.0 18.3 0 0.0 448 -2.4 0 0.0 449 -0.7 9 54
445 A 445 TRP W H H 4 5TS+ 0 0 -65.0 -33.7 178.6 58.5 110.4 36.3 0 0.0 0 0.0 0 0.0 0 0.0 8 47
446 A 446 GLU E H H < 5TS+ 0 0 -64.6 -36.5 -179.8 37.2 114.3 31.5 442 -2.0 0 0.0 0 0.0 0 0.0 9 44
447 A 447 ILE I H H < 5TS- 0 0 -85.7 -33.6 -179.7 -129.1 102.4 37.6 443 -1.9 0 0.0 0 0.0 0 0.0 7 40
448 A 448 GLY G T h < 5TS+ 0 0 98.8 -6.7 177.9 80.3 77.6 65.6 444 -2.4 0 0.0 0 0.0 0 0.0 6 26
449 A 449 THR T t T - 0 0 -139.7 151.0 179.9 -120.5 25.2 165.8 0 0.0 453 -1.1 0 0.0 0 0.0 8 41
451 A 451 PRO P T T 3 TS+ 0 0 -57.8 -36.0 -179.8 68.4 107.1 29.5 0 0.0 0 0.0 0 0.0 0 0.0 9 49
452 A 452 ILE I T T 3 T 0 0 -56.5 -26.5 179.7 999.9 999.9 41.6 0 0.0 0 0.0 0 0.0 0 0.0 10 45
453!A 453 GLU E t < T 0 0 -70.1 999.9 999.9 999.9 999.9 2.3 450 -1.1 0 0.0 0 0.0 0 0.0 5 35
454!A 462 TYR Y 0 0 999.9 137.6 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 30
455 A 463 LYS K - 0 0 -134.1 127.5 -179.5 -115.4 999.9 173.0 0 0.0 0 0.0 0 0.0 0 0.0 3 30
456 A 464 ILE I + 0 0 -56.9 149.5 -179.4 177.4 39.7 100.5 0 0.0 0 0.0 0 0.0 0 0.0 7 45
457 A 465 SER S - 0 0 -160.3 133.0 179.7 -166.8 32.7 158.8 0 0.0 0 0.0 0 0.0 0 0.0 5 39
458 A 466 TYR Y + 0 0 -109.1 28.1 -179.8 163.1 32.6 86.3 0 0.0 0 0.0 0 0.0 0 0.0 10 42
459 A 467 ASP D t > T - 0 0 -49.2 124.7 -180.0 -126.8 46.2 100.3 0 0.0 462 -3.1 0 0.0 0 0.0 6 36
460 A 468 PRO P T h > > TS+ 0 0 -51.7 -15.9 178.3 73.8 106.3 49.7 0 0.0 464 -1.0 0 0.0 463 -0.6 8 35
461 A 469 ILE I H H > 3 TS+ 0 0 -68.6 -25.4 179.1 71.5 82.5 38.1 0 0.0 465 -2.4 0 0.0 0 0.0 6 35
462 A 470 LYS K H H > < TS+ 0 0 -54.1 -44.0 -179.8 49.8 96.2 27.6 459 -3.1 466 -2.2 0 0.0 0 0.0 11 48
463 A 471 ALA A H H > < TS+ 0 0 -65.7 -36.7 178.1 52.0 108.8 30.8 460 -0.6 467 -2.2 0 0.0 0 0.0 14 50
464 A 472 GLN Q H H X TS+ 0 0 -66.8 -38.8 179.5 50.3 109.2 27.5 460 -1.0 468 -2.1 0 0.0 0 0.0 11 44
465 A 473 LYS K H H X TS+ 0 0 -66.8 -42.4 178.5 51.6 108.5 23.3 461 -2.4 469 -2.6 0 0.0 0 0.0 9 48
466 A 474 VAL V H H X TS+ 0 0 -60.3 -43.1 179.9 48.6 111.3 18.8 462 -2.2 470 -2.6 0 0.0 0 0.0 13 56
467 A 475 VAL V H H X TS+ 0 0 -64.8 -38.3 180.0 49.9 110.5 29.3 463 -2.2 471 -1.9 0 0.0 0 0.0 12 60
468 A 476 GLU E H H X TS+ 0 0 -66.0 -43.3 179.6 47.2 112.6 23.9 464 -2.1 472 -1.2 0 0.0 0 0.0 8 53
469 A 477 LEU L H H X TS+ 0 0 -65.8 -37.5 179.6 54.2 109.5 25.7 465 -2.6 473 -3.2 0 0.0 0 0.0 13 54
470 A 478 GLN Q H H X TS+ 0 0 -65.1 -37.5 178.9 56.4 103.1 28.3 466 -2.6 474 -1.5 0 0.0 0 0.0 12 61
471 A 479 ARG R H H < >TS+ 0 0 -61.1 -35.2 -179.0 31.9 119.6 31.0 467 -1.9 476 -2.7 0 0.0 0 0.0 14 58
472 A 480 LEU L H H < >TS+ 0 0 -85.7 -56.2 -176.7 31.1 130.0 20.3 468 -1.2 477 -2.8 0 0.0 0 0.0 12 60
473 A 481 ARG R H H < 5TS+ 0 0 -76.5 -37.6 179.1 30.8 132.0 35.0 469 -3.2 0 0.0 0 0.0 0 0.0 13 57
474 A 482 GLY G T h < 5TS+ 0 0 -101.3 2.3 -179.4 27.3 135.5 66.8 470 -1.5 0 0.0 439 -0.6 0 0.0 13 70
475 A 483 GLY G T h > >5TS+ 0 0 -121.6 -90.6 -179.3 29.9 121.9 59.4 0 0.0 479 -1.1 0 0.0 478 -0.9 17 70
476 A 484 LEU L H H > > 3XTS+ 0 0 -65.9 -24.7 177.6 51.3 114.1 41.6 472 -2.8 482 -1.2 0 0.0 481 -0.5 12 70
478 A 486 GLU E H H 4 <5TS+ 0 0 -86.4 -9.6 -178.7 45.5 114.4 55.9 475 -0.9 35 -2.6 0 0.0 0 0.0 15 74
479 A 487 MET M H H < <5TS+ 0 0 -105.4 -24.5 -178.6 36.3 117.9 45.6 475 -1.1 0 0.0 476 -1.0 0 0.0 16 77
480 A 488 LEU L H H < 5TS- 0 0 -64.1 -52.1 -0.5 -134.9 105.2 33.7 476 -1.8 65 -2.4 0 0.0 66 -0.6 14 74
481 A 489 THR T T h < 5T + 0 0 -112.1 136.2 -177.7 130.9 52.0 47.2 477 -0.5 75 -0.7 0 0.0 0 0.0 19 82
482 A 490 ALA A t TS+ 0 0 -89.6 -7.7 -177.4 84.1 76.1 57.4 0 0.0 488 -2.7 0 0.0 0 0.0 8 63
485 A 493 LEU L H H > >TS+ 0 0 -69.3 -34.6 179.0 61.0 77.4 38.8 0 0.0 489 -2.9 0 0.0 490 -1.0 7 70
486 A 494 PRO P H H > 5TS+ 0 0 -56.9 -46.0 177.0 36.5 116.3 11.9 0 0.0 492 -1.9 0 0.0 490 -1.0 12 57
487 A 495 TRP W H H > 5TS+ 0 0 -65.0 -57.8 -178.3 43.1 123.2 10.4 0 0.0 491 -1.3 0 0.0 0 0.0 10 53
488 A 496 VAL V H H < 5TS+ 0 0 -56.1 -47.7 -175.7 23.5 127.6 30.7 484 -2.7 0 0.0 0 0.0 0 0.0 8 55
489 A 497 GLU E H H < 5TS+ 0 0 -90.6 -44.0 -175.8 28.4 133.9 29.3 485 -2.9 0 0.0 0 0.0 0 0.0 9 53
490 A 498 VAL V H H < T - 0 0 -66.8 134.4 177.5 -146.7 19.7 115.3 0 0.0 496 -1.1 0 0.0 0 0.0 7 39
494 A 502 LEU L T T > TS+ 0 0 -70.1 -18.5 -179.6 80.4 91.3 47.0 0 0.0 497 -1.2 0 0.0 0 0.0 7 47
495 A 503 ASP D T h > 3 TS+ 0 0 -63.4 -18.8 178.2 68.5 78.8 46.2 0 0.0 499 -1.0 0 0.0 0 0.0 6 39
496 A 504 TYR Y H H > < TS+ 0 0 -66.8 -37.1 -176.7 62.9 91.0 31.6 493 -1.1 500 -2.5 0 0.0 0 0.0 9 50
497 A 505 TYR Y H H > < TS+ 0 0 -59.6 -52.7 179.1 43.0 102.3 23.7 494 -1.2 501 -2.8 0 0.0 0 0.0 7 64
498 A 506 PRO P H H > TS+ 0 0 -63.2 -32.5 -179.9 50.7 117.6 26.9 0 0.0 502 -2.1 0 0.0 0 0.0 12 52
499 A 507 LYS K H H X TS+ 0 0 -70.8 -37.9 177.5 44.8 112.0 29.7 495 -1.0 503 -2.1 0 0.0 0 0.0 10 42
500 A 508 LEU L H H X TS+ 0 0 -72.4 -37.8 179.7 53.9 111.5 25.6 496 -2.5 504 -2.2 0 0.0 0 0.0 12 58
501 A 509 LEU L H H X >TS+ 0 0 -62.1 -41.6 177.7 45.6 111.6 23.6 497 -2.8 505 -2.6 0 0.0 506 -0.5 14 63
502 A 510 LYS K H H X 5TS+ 0 0 -67.0 -44.8 -179.5 51.1 111.6 23.9 498 -2.1 506 -1.9 0 0.0 0 0.0 12 45
503 A 511 ALA A H H < 5TS+ 0 0 -63.0 -32.0 -178.4 40.4 118.1 30.7 499 -2.1 211 -3.1 0 0.0 0 0.0 14 43
504 A 512 ILE I H H < 5TS+ 0 0 -80.5 -60.5 -178.6 19.6 131.1 12.9 500 -2.2 210 -2.4 0 0.0 0 0.0 15 52
505 A 513 THR T H H < 5TS- 0 0 -86.9 -19.3 -178.4 -128.5 91.8 50.8 501 -2.6 2 -0.6 0 0.0 0 0.0 13 50
506 A 514 GLY G S h < T - 0 0 -82.7 162.9 177.9 -101.9 38.5 119.1 0 0.0 514 -1.9 0 0.0 0 0.0 7 29
511 A 519 TRP W H H > TS+ 0 0 -54.9 -35.7 179.4 54.9 126.2 27.8 0 0.0 515 -2.3 0 0.0 0 0.0 7 32
512 A 520 ASP D H H > TS+ 0 0 -65.2 -36.9 178.3 54.4 103.6 29.3 0 0.0 516 -2.1 0 0.0 0 0.0 7 28
513 A 521 ASP D H H > TS+ 0 0 -59.9 -45.5 -179.7 45.5 111.5 20.6 0 0.0 517 -2.1 0 0.0 0 0.0 8 36
514 A 522 LEU L H H X TS+ 0 0 -68.3 -36.5 178.8 52.8 110.1 31.7 510 -1.9 518 -2.1 0 0.0 0 0.0 11 49
515 A 523 TYR Y H H X TS+ 0 0 -67.8 -36.0 179.6 48.9 110.7 28.6 511 -2.3 519 -2.2 0 0.0 0 0.0 10 49
516 A 524 LYS K H H X TS+ 0 0 -69.3 -43.0 179.1 49.0 110.4 24.1 512 -2.1 520 -2.2 0 0.0 0 0.0 9 44
517 A 525 ALA A H H X TS+ 0 0 -63.1 -37.5 179.5 50.1 112.5 25.5 513 -2.1 521 -2.3 0 0.0 0 0.0 12 59
518 A 526 ALA A H H X TS+ 0 0 -66.1 -45.0 179.0 45.2 112.4 24.9 514 -2.1 522 -2.3 0 0.0 0 0.0 15 62
519 A 527 ASP D H H X TS+ 0 0 -67.3 -32.5 178.9 56.7 110.0 35.8 515 -2.2 523 -2.3 0 0.0 0 0.0 12 65
520 A 528 ARG R H H X TS+ 0 0 -62.6 -46.5 179.8 45.9 108.9 18.0 516 -2.2 524 -2.5 0 0.0 0 0.0 12 62
521 A 529 VAL V H H X TS+ 0 0 -64.0 -42.0 178.8 51.7 112.2 24.1 517 -2.3 525 -2.7 0 0.0 0 0.0 13 73
522 A 530 TYR Y H H X TS+ 0 0 -63.5 -39.1 179.1 43.4 112.9 29.8 518 -2.3 526 -1.9 0 0.0 0 0.0 10 76
523 A 531 SER S H H X TS+ 0 0 -74.6 -36.5 177.9 50.3 114.2 30.6 519 -2.3 527 -2.5 0 0.0 0 0.0 10 67
524 A 532 LEU L H H X TS+ 0 0 -66.5 -40.1 179.2 47.7 112.5 24.0 520 -2.5 528 -2.1 0 0.0 0 0.0 13 68
525 A 533 ILE I H H X TS+ 0 0 -66.4 -40.6 179.1 49.2 112.5 24.1 521 -2.7 529 -1.9 0 0.0 0 0.0 11 75
526 A 534 ARG R H H X TS+ 0 0 -64.1 -40.0 179.4 52.1 109.1 26.4 522 -1.9 530 -2.2 0 0.0 0 0.0 11 75
527 A 535 ALA A H H X TS+ 0 0 -63.1 -37.9 179.9 55.5 106.1 27.7 523 -2.5 531 -2.8 0 0.0 0 0.0 12 72
528 A 536 TYR Y H H X TS+ 0 0 -61.6 -46.9 178.9 46.7 108.9 21.3 524 -2.1 532 -2.8 0 0.0 0 0.0 11 69
529 A 537 TRP W H H X TS+ 0 0 -60.5 -49.0 -178.9 46.9 113.8 23.2 525 -1.9 533 -1.4 0 0.0 0 0.0 11 68
530 A 538 VAL V H H < >TS+ 0 0 -59.3 -49.7 178.9 47.6 114.6 17.2 526 -2.2 535 -2.4 0 0.0 0 0.0 13 61
531 A 539 ARG R H H < >5TS+ 0 0 -55.5 -56.4 -179.4 46.8 113.4 14.9 527 -2.8 534 -2.4 0 0.0 0 0.0 11 50
532 A 540 GLU E H H < 35TS+ 0 0 -61.6 -21.7 178.5 56.6 107.8 48.2 528 -2.8 0 0.0 0 0.0 0 0.0 11 48
533 A 541 PHE F T h < >5TS- 0 0 -89.3 3.8 179.4 -120.0 115.3 67.2 529 -1.4 536 -1.6 0 0.0 0 0.0 10 46
534 A 542 ASN N T T <5T - 0 0 58.6 45.3 179.6 -55.4 68.2 23.5 531 -2.4 0 0.0 0 0.0 0 0.0 8 35
535 A 543 GLY G T T 3 T - 0 0 -147.1 -179.9 -178.8 -80.6 57.3 151.2 0 0.0 541 -1.8 0 0.0 0 0.0 9 39
539 A 547 ARG R G G > TS+ 0 0 -59.5 -24.4 179.7 73.5 114.4 46.4 0 0.0 542 -1.6 0 0.0 0 0.0 9 45
540 A 548 LYS K G G > TS+ 0 0 -65.8 -15.4 178.2 71.6 82.2 48.6 0 0.0 543 -1.3 0 0.0 0 0.0 5 44
541 A 549 MET M G G < TS+ 0 0 -68.0 -26.2 -179.8 49.4 98.9 35.0 538 -1.8 0 0.0 0 0.0 0 0.0 9 57
542 A 550 ASP D G G < TS+ 0 0 -100.8 24.5 180.0 112.7 89.4 88.2 539 -1.6 0 0.0 0 0.0 0 0.0 12 65
543 A 551 TYR Y g < T - 0 0 -99.9 148.0 179.3 -120.5 67.0 136.8 540 -1.3 0 0.0 0 0.0 0 0.0 10 60
544 A 552 PRO P - 0 0 -75.6 167.7 179.8 -65.4 54.7 108.0 0 0.0 0 0.0 0 0.0 0 0.0 11 63
545 A 553 PRO P t > T - 0 0 -60.3 144.2 -179.0 -117.6 45.6 104.5 0 0.0 548 -1.6 0 0.0 0 0.0 10 62
546 A 554 LYS K T h > > TS+ 0 0 -47.3 -39.2 -178.4 72.8 106.0 37.0 0 0.0 549 -2.2 0 0.0 550 -2.1 8 50
547 A 555 ARG R H H > 3 TS+ 0 0 -51.7 -36.2 -179.4 58.6 89.3 37.4 0 0.0 551 -2.1 0 0.0 0 0.0 9 52
548 A 556 TRP W H H 4 < TS+ 0 0 -71.1 -15.5 179.3 37.5 114.3 49.7 545 -1.6 563 -3.1 0 0.0 0 0.0 12 59
549 A 557 PHE F H H 4 < TS+ 0 0 -100.5 -31.3 -176.1 46.2 120.7 43.9 546 -2.2 0 0.0 0 0.0 0 0.0 12 47
550 A 558 THR T H H < TS+ 0 0 -88.0 -25.2 179.9 23.1 118.0 50.5 546 -2.1 0 0.0 0 0.0 0 0.0 7 33
551 A 559 GLU E h < T - 0 0 -135.5 173.3 180.0 -145.5 68.5 152.0 547 -2.1 0 0.0 0 0.0 0 0.0 9 37
552 A 560 GLY G - 0 0 -133.4 -176.1 179.5 -54.1 40.3 133.1 0 0.0 0 0.0 0 0.0 0 0.0 12 43
553 A 561 LEU L - 0 0 -59.3 146.4 -178.3 -145.4 40.8 103.8 561 -1.5 560 -2.8 0 0.0 0 0.0 15 43
554 A 562 LYS K S S S+ 0 0 -96.7 2.2 -179.0 10.9 72.3 64.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
555 A 563 SER S S S S+ 0 0 -163.8 175.6 178.6 54.0 86.8 163.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
556 A 564 GLY G S t > TS- 0 0 80.0 177.2 -179.8 -51.1 99.6 92.7 0 0.0 559 -2.0 0 0.0 0 0.0 7 29
557 A 565 PRO P T T 3 TS+ 0 0 -65.5 -7.4 179.5 53.5 138.8 58.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
558 A 566 HIS H T T > TS+ 0 0 -109.8 9.7 179.4 150.2 76.6 75.2 0 0.0 561 -2.6 0 0.0 0 0.0 7 33
559 A 567 LYS K T T < T + 0 0 -45.6 127.5 178.2 16.3 69.3 96.3 556 -2.0 0 0.0 0 0.0 0 0.0 9 34
560 A 568 GLY G T T 3 TS+ 0 0 92.2 -14.4 -179.9 129.2 92.1 77.3 553 -2.8 0 0.0 0 0.0 0 0.0 9 31
561 A 569 GLU E t < T + 0 0 -77.6 144.8 -178.8 158.1 26.1 119.7 558 -2.6 553 -1.5 0 0.0 0 0.0 10 37
562 A 570 HIS H - 0 0 -148.6 -175.8 179.0 -70.4 42.5 142.8 0 0.0 0 0.0 0 0.0 0 0.0 12 46
563 A 571 LEU L - 0 0 -85.4 157.9 179.5 -126.1 40.2 122.5 548 -3.1 565 -0.5 0 0.0 0 0.0 11 47
564 A 572 ASP D h > T - 0 0 -108.8 123.1 -178.4 -149.7 7.7 156.0 0 0.0 568 -2.7 0 0.0 0 0.0 7 37
565 A 573 GLU E H H > TS+ 0 0 -57.2 -40.7 -179.7 47.6 95.4 34.9 563 -0.5 569 -2.3 0 0.0 0 0.0 7 38
566 A 574 LYS K H H > TS+ 0 0 -69.7 -47.9 179.7 43.6 114.8 21.6 0 0.0 570 -2.1 0 0.0 0 0.0 6 29
567 A 575 LYS K H H > TS+ 0 0 -66.3 -35.5 177.1 50.9 115.2 28.1 0 0.0 571 -2.0 0 0.0 0 0.0 8 34
568 A 576 TYR Y H H X TS+ 0 0 -65.4 -44.9 179.8 52.1 108.4 21.0 564 -2.7 572 -2.7 0 0.0 0 0.0 12 50
569 A 577 ASP D H H X TS+ 0 0 -59.0 -39.0 178.4 48.1 110.5 28.0 565 -2.3 573 -1.9 0 0.0 0 0.0 8 43
570 A 578 GLU E H H X TS+ 0 0 -67.5 -41.4 179.5 51.3 110.4 29.1 566 -2.1 574 -1.6 0 0.0 0 0.0 8 39
571 A 579 LEU L H H X TS+ 0 0 -61.7 -40.1 179.4 51.6 109.1 23.6 567 -2.0 575 -1.9 0 0.0 0 0.0 14 48
572 A 580 LEU L H H X TS+ 0 0 -64.8 -39.4 178.3 53.4 106.3 28.7 568 -2.7 576 -2.6 0 0.0 0 0.0 11 53
573 A 581 SER S H H X TS+ 0 0 -64.6 -33.2 178.8 52.4 107.3 29.7 569 -1.9 577 -2.8 0 0.0 0 0.0 9 44
574 A 582 GLU E H H X TS+ 0 0 -67.5 -39.6 177.5 51.6 107.3 27.3 570 -1.6 578 -2.6 0 0.0 0 0.0 11 41
575 A 583 TYR Y H H X TS+ 0 0 -61.0 -47.2 179.2 47.6 111.6 17.4 571 -1.9 579 -2.3 0 0.0 0 0.0 11 57
576 A 584 TYR Y H H X >TS+ 0 0 -61.1 -44.1 179.3 52.5 109.7 21.5 572 -2.6 581 -2.5 0 0.0 580 -1.8 12 51
577 A 585 ARG R H H < 5TS+ 0 0 -57.0 -47.2 -179.9 47.7 110.6 19.4 573 -2.8 0 0.0 0 0.0 0 0.0 9 37
578 A 586 ILE I H H < 5TS+ 0 0 -62.4 -39.4 -179.8 42.8 116.6 28.1 574 -2.6 0 0.0 0 0.0 0 0.0 10 45
579 A 587 ARG R H H < 5TS- 0 0 -82.6 -14.6 -178.4 -117.1 112.0 49.3 575 -2.3 0 0.0 0 0.0 0 0.0 10 59
580 A 588 GLY G T h < 5T + 0 0 79.2 39.0 -179.1 147.9 63.8 30.4 576 -1.8 588 -1.8 0 0.0 0 0.0 9 43
581 A 589 TRP W B B D T - 0 0 -55.8 177.7 176.4 -99.9 42.8 90.0 586 -3.4 585 -0.8 0 0.0 0 0.0 11 43
583 A 591 GLU E T T 3 TS+ 0 0 -88.4 9.5 176.5 60.9 126.1 72.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
584 A 592 ARG R T T 3 TS- 0 0 -106.3 -14.8 178.8 -105.2 122.2 59.0 0 0.0 0 0.0 0 0.0 0 0.0 8 44
585 A 593 GLY G S t < TS+ 0 0 97.8 18.8 -178.5 128.3 79.8 51.2 582 -0.8 0 0.0 0 0.0 0 0.0 11 58
586 A 594 ILE I - 0 0 -108.4 136.2 179.6 -105.4 65.0 149.0 0 0.0 582 -3.4 0 0.0 0 0.0 13 63
587 A 595 PRO P B B D - 581 0 -60.6 147.7 179.3 -119.0 35.7 105.2 0 0.0 0 0.0 0 0.0 0 0.0 15 58
588 A 596 LYS K h > T - 0 0 -86.3 150.5 179.3 -114.5 20.3 126.2 580 -1.8 592 -2.5 0 0.0 0 0.0 11 47
589 A 597 LYS K H H > TS+ 0 0 -50.8 -39.0 179.7 51.6 119.0 29.4 0 0.0 593 -2.0 0 0.0 0 0.0 10 39
590 A 598 GLU E H H > TS+ 0 0 -67.5 -38.7 178.8 48.9 109.2 27.7 0 0.0 594 -1.9 0 0.0 0 0.0 6 33
591 A 599 THR T H H > TS+ 0 0 -66.5 -42.4 179.5 51.1 110.4 26.3 0 0.0 595 -1.9 0 0.0 0 0.0 11 41
592 A 600 LEU L H H < >TS+ 0 0 -62.4 -42.1 179.1 46.9 111.5 23.3 588 -2.5 597 -3.6 0 0.0 0 0.0 15 44
593 A 601 LYS K H H < >5TS+ 0 0 -65.4 -38.0 179.4 54.8 110.8 28.6 589 -2.0 596 -1.0 0 0.0 0 0.0 9 33
594 A 602 GLU E H H < 35TS+ 0 0 -61.4 -40.9 -179.5 44.9 109.6 34.1 590 -1.9 0 0.0 0 0.0 0 0.0 7 32
595 A 603 LEU L T h < 35TS- 0 0 -89.3 8.1 -179.8 -106.5 120.3 72.0 591 -1.9 0 0.0 0 0.0 0 0.0 10 44
596 A 604 ASP D T T <5TS+ 0 0 67.1 38.4 -179.6 127.1 84.5 30.3 593 -1.0 0 0.0 0 0.0 0 0.0 7 38
597 A 605 LEU L t > > T + 0 0 -57.8 -42.1 -180.0 68.9 63.7 26.3 0 0.0 601 -1.6 0 0.0 0 0.0 8 33
599 A 607 PHE F T h > 3 TS+ 0 0 -53.7 -19.3 -180.0 58.4 93.6 48.1 0 0.0 603 -0.6 0 0.0 0 0.0 6 38
600 A 608 VAL V H H > < TS+ 0 0 -82.9 -25.8 -179.0 75.2 88.3 36.2 597 -1.5 604 -2.4 0 0.0 0 0.0 10 49
601 A 609 ILE I H H X < TS+ 0 0 -50.5 -58.8 -180.0 46.4 95.0 20.8 598 -1.6 605 -2.8 597 -0.6 0 0.0 10 41
602 A 610 PRO P H H > TS+ 0 0 -53.0 -41.2 -178.3 51.3 114.0 27.7 0 0.0 606 -1.4 0 0.0 0 0.0 7 32
603 A 611 GLU E H H < TS+ 0 0 -66.1 -41.2 178.3 42.0 112.7 30.8 599 -0.6 0 0.0 0 0.0 0 0.0 9 41
604 A 612 LEU L H H X > TS+ 0 0 -74.9 -35.5 179.5 59.2 109.4 30.7 600 -2.4 608 -2.4 0 0.0 607 -1.5 14 46
605 A 613 GLU E H H < 3 TS+ 0 0 -62.1 -29.9 179.0 60.1 98.6 32.0 601 -2.8 0 0.0 0 0.0 0 0.0 9 32
606 A 614 LYS K T h < 3 TS+ 0 0 -69.0 -18.4 -175.2 32.0 116.7 43.8 602 -1.4 0 0.0 0 0.0 0 0.0 6 27
607 A 615 VAL V T T 4 < TS- 0 0 -114.3 -24.0 179.4 -4.6 129.0 46.6 604 -1.5 0 0.0 0 0.0 0 0.0 9 29
608 A 616 THR T S t < TS- 0 0 -157.7 178.1 179.1 -82.0 78.7 154.7 604 -2.4 610 -0.5 0 0.0 0 0.0 9 32
609 A 617 ASN N - 0 0 -93.9 126.5 179.4 -151.7 44.3 146.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
610 A 618 LEU L 0 0 -94.7 168.0 177.2 999.9 999.9 119.5 608 -0.5 0 0.0 0 0.0 0 0.0 9 38
611 A 619 GLU E 0 0 -125.2 999.9 999.9 999.9 999.9 89.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
1b25A.pdb
1B25 MOCO MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S EEEEEETTT EEEEE HHHHHHH SHHHHHHHHHHHH SS TTSTTS EEEE TTTTS TT EEEEEEE TTTSSEEEEEEE HHHHH Kabs/Sand
chirality ++--+------++-+-+------++++++--++++++++++++++-+--++-++-----+--++++-+--+++---++---++-+--+--+-+-+++++ chirality
bends S SSS SSSSSSS SSSSSSSSSSSSS SS SSSSSS SSSSS SS SSSSS SSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTT TTTT TTTTT TTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33X33< >3><3< >33< >33< 3-turns
bridge-2 bbbbb DDD EEEEEEE bridge-2
bridge-1 AAAAA AAAAA CCCC DDD EEEEEEE bridge-1
sheets AAAAAA AAAAA AAAA AAAAAAA AAAAAAA sheets
4-turns >444< >>>>X<<<<>>>>XXXXXX<<<< >444< >>>>XX 4-turns
summary S eEEEEEEeTTteEEEEEehHHHHHHHhhHHHHHHHHHHHHhSS tTTtTTt EEEEetTTTTt tTTteEEEEEEEeTTTteEEEEEEEhHHHHH summary
sequence MYGWWGRILRVNLTTGEVKVQEYPEEVAKKFIGGRGLAAWILWNEARGVEPLSPENKLIFAAGPFNGLPTPSGGKLVVAAKSPLTGGYGDGNLGTMASVH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHTT SEEEEES SS EEEEEETTEEEEEE TTTTT HHHHHHHHHHHH SSSEEEE HHHHTT TTB EEETTTEEE TTTHHHHHHHTTEEEEE Kabs/Sand
chirality +++-+-----++---+-+----+--+++---+++++++--+++++++++++--++---+---++++---++---++-++--+-+-++++++++-++---- chirality
bends SSSSS S S SS SSS SSSSS SSSSSSSSSSSS SSS SSSSS SS SSS SSSSSSSSSSS bends
turns TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTT TTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33X33< >33< >33X33<>33< >33< >>3<< 3-turns
bridge-2 CCCC GGGGGG A A HHH bridge-2
bridge-1 bbbbb ffffff GGGGGG HHHH B III III f*fff bridge-1
sheets AAAAA BBBBBB BBBBBB BBBB CCC CCC BBBBB sheets
4-turns <<<< >444< >>>>XXXXXX<<<< >>44<< >444< >44>X>>X<<<< 4-turns
summary HHHhTteEEEEES SSeEEEEEEeTEEEEEEeTTTTTthHHHHHHHHHHHHhSSSEEEEehHHHHhTtTTB EEETTTEEEtTThHHHHHHHheEEEEE summary
sequence LRRAGYDALVVEGKAKKPVYIYIEDDNVSILSAEGLWGKTTFETERELKEIHGKNVGVLTIGPAGENLVKYAVVISQEGRAAGRPGMGAVMGSKKLKAVV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE S HHHHHHHHHHHHHHHHHSTTHHHHHHHGGGGHHHHHHHTT S BTTTTBS TTGGGGSHHHHHHHEEEEE TT SS EEEEE TTS Kabs/Sand
chirality +-++-----+++++++++++++++++++-++++++++--++++++++++-++-----++-+--++++++-+++++++++-+---++-+-++--+---+-+ chirality
bends S SSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSS S SSSS S SS SSSSSSSSSSS SS SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33X33< >>>X<<< >33< >33< >3>X><<< >>3<< >33< >33< 3-turns
bridge-2 H KKKK bridge-2
bridge-1 ff C C J*JJJ JJJJ bridge-1
sheets BB DDDDD DDDDD sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>X<<<< >>>>X<<<< >444< >>>>X<<<< 4-turns
summary EE ShHHHHHHHHHHHHHHHHHhThHHHHHHHhTThHHHHHHHhTtS BTTTTBS tTgGGGGhHHHHHHHEEEEE tTTtSS EEEEEeTTt summary
sequence IRGTKEIPVADKEELKKLSQEAYNEILNSPGYPFWKRQGTMAAVEWCNTNYALPTRNFSDGYFEFARSIDGYTMEGMKVQQRGCPYCNMPCGNVVLDAEG sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEE HHHHHHHTGGGT HHHHHHHHHHHHHHTB HHHHHHHHHHHHHHHHTTSSSSS TT HHHHHHHHHHHHTT HHHHHHHTT HHHHHHHHT Kabs/Sand
chirality -+--+-++++++++++-+-+-+++++++++++++-+--++++++++++++++++-++-++---+++++++++++++++-+--+++++++--+++++++-+ chirality
bends SSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSS SSSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>55><<55< >5555< >5555< >5555< >5555 5-turns
3-turns >>3<< >33X33< >33< >33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 KKKK B bridge-1
sheets DDDD sheets
4-turns >>>>X<<<< >>>>XXXXXXXX<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>X<<<< >>>>XX<<<< 4-turns
summary eEEEEhHHHHHHHhGGGgt hHHHHHHHHHHHHHHhBhHHHHHHHHHHHHHHHHhTtSSSS tTThHHHHHHHHHHHHhThHHHHHHHhThHHHHHHHHh summary
sequence QESELDYENVALLGSNLGIGKLNEVSVLNRIADEMGMDTISLGVSIAHVMEAVERGILKEGPTFGDFKGAKQLALDIAYRKGELGNLAAEGVKAMAEKLG sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand GGG EETTEE S TT HHHHHHHHH TTSS STT HHHHHT TT THHHHHHHHHHHHHTTHHHHHT SHHHHHH TTHHHHH Kabs/Sand
chirality ++++-+---+----+--+++++++++++++-+--+-++++++++++-+--+ -+-+-++++++++++++++++++++-+--++++++-+--+++++++ chirality
bends SS SSSS S SS SSSSSSSSS SSSS SSS SSSSSS S SSSSSSSSSSSSSSSSSSSSS SSSSSSS SSSSSSS bends
turns TTTTT TTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTT turns
5-turns < >5555< >>5555555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33< >>3<< >>3<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 LL LL bridge-1
sheets EE EE sheets
4-turns >>>>XXX<<<< >>>4<<< >>>>XXXXXXX<<<<>>>4<<< >>>><<<< >>>>XX 4-turns
summary gGGGgeEETTEEe S tTThHHHHHHHHHhTTtS tTTt hHHHHHhttTTt thHHHHHHHHHHHHHhhHHHHHht hHHHHHHh tThHHHHH summary
sequence THDFAMHVKGLEVSGYNCYIYPAMALAYGTSAIGAHHKEAWVIAWEIGTAPIEYKISYDPIKAQKVVELQRLRGGLFEMLTACRLPWVEVGLSLDYYPKL sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HHHHHS HHHHHHHHHHHHHHHHHHHHHHTTT GGGG THHHH SSSTTTT HHHHHHHHHHHHHHHTB TTS B HHHHHHTT TTH Kabs/Sand
chirality ++++-+----++++++++++++++++++++++--+++-++++---+++++---++-+++++---++++++++++++++-+--+-+---++++++-+++++ chirality
bends SSSSSS SSSSSSSSSSSSSSSSSSSSSSS S SSSS SSSSS SSSSS S SSSSSSSSSSSSSSS SSS SSSSSSSS SS bends
turns TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >3><3< >>><<< >>3<< >3><3< >33< >33<>>3< 3-turns
bridge-2 bridge-2
bridge-1 D D bridge-1
sheets sheets
4-turns XX<<<< >>>>XXXXXXXXXXXXXXXX<<<< >>44<< >>>>XXXXXXXXX<<<< >>>><<<< >4>> 4-turns
summary HHHHHh hHHHHHHHHHHHHHHHHHHHHHHhTTt gGGGGg thHHHHh SStTTTTt hHHHHHHHHHHHHHHHhBtTTt BhHHHHHHhTtThH summary
sequence LKAITGVTYTWDDLYKAADRVYSLIRAYWVREFNGKWDRKMDYPPKRWFTEGLKSGPHKGEHLDEKKYDELLSEYYRIRGWDERGIPKKETLKELDLDFV sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand HHHHHTTS Kabs/Sand
chirality ++++++--- chirality
bends SSSSSSSS bends
turns TTTTTTTT turns
5-turns 5-turns
3-turns < >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X>