Secondary structure calculation program - copyright by David Keith Smith, 1989
1dkgD.pdb
1DKG COMPLEX (HSP24/HSP70) MOL_ID: 1; MOL_ID: 1;
Sequence length - 376
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 D 3 LYS K 0 0 999.9 125.6 -179.7 999.9 999.9 999.9 0 0.0 135 -0.6 0 0.0 0 0.0 6 50
2 D 4 ILE I - 0 0 -104.9 57.0 178.9 -153.3 999.9 111.4 0 0.0 0 0.0 0 0.0 0 0.0 14 57
3 D 5 ILE I e - 0 0 -25.9 123.5 178.1 -129.7 18.0 84.9 0 0.0 137 -1.0 0 0.0 0 0.0 16 70
4 D 6 GLY G E E AaB - 137 15 -85.4 141.2 -179.0 -161.1 25.1 133.1 15 -3.4 15 -3.0 0 0.0 0 0.0 19 76
5 D 7 ILE I E E AaB - 138 14 -130.5 127.6 178.0 -159.6 17.1 168.5 137 -2.7 139 -1.5 0 0.0 7 -0.9 18 84
6 D 8 ASP D E E A B - 0 13 -104.7 103.3 -179.2 -162.8 12.1 151.4 13 -2.7 13 -1.8 0 0.0 8 -1.6 12 85
7 D 9 LEU L - 0 0 -88.6 80.0 -179.4 -170.7 21.1 129.9 5 -0.9 0 0.0 0 0.0 0 0.0 12 87
8 D 10 GLY G - 0 0 -67.3 171.2 179.6 -126.6 33.0 90.9 6 -1.6 0 0.0 0 0.0 0 0.0 9 79
9 D 11 THR T S S S+ 0 0 -87.1 -33.7 -179.5 14.5 111.3 35.0 0 0.0 66 -0.6 0 0.0 0 0.0 12 69
10 D 12 THR T S e S+ 0 0 -113.1 -23.3 179.4 8.9 140.0 51.4 0 0.0 36 -1.4 0 0.0 0 0.0 12 63
11 D 13 ASN N E E A C - 0 35 -154.8 157.7 179.7 -155.1 61.4 166.8 0 0.0 0 0.0 0 0.0 0 0.0 11 64
12 D 14 SER S E E A C - 0 34 -135.5 153.8 -176.5 -168.2 8.4 161.7 34 -1.2 34 -2.2 0 0.0 0 0.0 14 74
13 D 15 CYS C E E ABC - 6 33 -139.8 162.1 179.4 -148.3 7.2 154.8 6 -1.8 6 -2.7 0 0.0 0 0.0 16 72
14 D 16 VAL V E E AB + 5 0 -141.9 135.2 -178.0 177.2 15.6 170.4 32 -0.6 25 -1.6 0 0.0 0 0.0 18 77
15 D 17 ALA A E E ABD - 4 24 -134.4 163.1 178.9 -168.9 12.6 151.7 4 -3.0 4 -3.4 0 0.0 0 0.0 16 66
16 D 18 ILE I E E A D - 0 23 -149.2 140.9 179.2 -108.4 33.7 169.9 23 -1.9 23 -1.3 0 0.0 0 0.0 17 58
17 D 19 MET M E E A D - 0 22 -74.4 122.1 176.2 -152.0 18.0 124.2 0 0.0 19 -1.4 0 0.0 0 0.0 12 43
18 D 20 ASP D E E A D> TS- 0 21 -90.7 93.0 -177.3 -52.5 76.0 142.3 21 -3.1 21 -1.7 0 0.0 20 -0.9 7 31
19 D 21 GLY G T T 3 TS- 0 0 77.1 -108.5 178.9 -26.2 120.2 129.7 17 -1.4 0 0.0 0 0.0 0 0.0 5 22
20 D 22 THR T T T 3 TS+ 0 0 -113.9 -11.2 -179.5 92.8 123.6 63.0 18 -0.9 0 0.0 0 0.0 0 0.0 6 28
21 D 23 THR T E E AD < TS- 18 0 -90.8 124.3 179.5 -120.2 80.5 137.5 18 -1.7 18 -3.1 0 0.0 0 0.0 6 32
22 D 24 PRO P E E AD - 17 0 -66.2 134.6 -178.9 -170.2 28.1 116.5 0 0.0 0 0.0 0 0.0 0 0.0 12 48
23 D 25 ARG R E E AD - 16 0 -130.7 100.7 179.9 -151.3 10.9 156.5 16 -1.3 16 -1.9 0 0.0 25 -0.6 9 48
24 D 26 VAL V E E AD - 15 0 -74.9 117.2 -179.7 -139.9 21.8 128.4 0 0.0 0 0.0 0 0.0 0 0.0 12 56
25 D 27 LEU L e - 0 0 -76.1 167.0 -179.8 -134.1 6.0 103.2 14 -1.6 0 0.0 23 -0.6 0 0.0 12 51
26 D 28 GLU E - 0 0 -127.0 137.0 -178.7 -121.5 17.3 167.9 0 0.0 0 0.0 0 0.0 0 0.0 11 44
27 D 29 ASN N t > T - 0 0 -59.1 -173.7 179.4 -82.6 43.6 73.0 31 -2.1 30 -0.9 0 0.0 0 0.0 11 44
28 D 30 ALA A T T 3 TS+ 0 0 -62.8 -39.3 -179.4 54.1 128.8 28.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
29 D 31 GLU E T T 3 TS- 0 0 -74.2 -6.2 -179.6 -103.9 121.3 60.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
30 D 32 GLY G S t < TS+ 0 0 88.4 26.9 179.2 133.7 76.5 39.2 27 -0.9 0 0.0 0 0.0 0 0.0 6 23
31 D 33 ASP D - 0 0 -108.0 143.2 177.7 -155.1 49.2 149.8 0 0.0 27 -2.1 0 0.0 0 0.0 8 33
32 D 34 ARG R S e S+ 0 0 -88.2 -11.7 -179.0 53.5 89.5 48.5 0 0.0 14 -0.6 0 0.0 0 0.0 10 47
33 D 35 THR T E E AC S- 13 0 -125.9 123.1 -179.4 -162.5 70.2 169.0 0 0.0 0 0.0 0 0.0 0 0.0 12 51
34 D 36 THR T E E AC - 12 0 -108.7 106.3 179.2 -119.4 26.2 152.8 12 -2.2 12 -1.2 0 0.0 0 0.0 11 53
35 D 37 PRO P E E AC - 11 0 -39.0 145.1 178.6 -121.6 21.5 88.8 0 0.0 37 -1.4 0 0.0 0 0.0 11 59
36 D 38 SER S e + 0 0 -91.5 61.2 178.7 123.4 69.7 113.7 10 -1.4 66 -0.7 0 0.0 0 0.0 16 60
37 D 39 ILE I E E BE - 65 0 -118.9 152.6 -178.1 -176.7 35.7 152.6 35 -1.4 49 -2.4 0 0.0 0 0.0 15 60
38 D 40 ILE I E E BEF - 64 48 -152.7 113.9 -179.0 -176.8 4.7 152.5 64 -2.4 64 -2.2 0 0.0 0 0.0 16 61
39 D 41 ALA A E E BEF - 63 47 -120.6 143.6 177.7 -143.8 23.4 156.6 47 -1.2 47 -1.8 0 0.0 41 -0.9 14 51
40 D 42 TYR Y E E B F - 0 46 -103.7 94.7 -179.6 -135.4 33.0 148.2 62 -2.5 0 0.0 0 0.0 0 0.0 12 45
41 D 43 THR T e > T - 0 0 -43.8 152.5 179.5 -108.9 20.4 89.1 45 -2.5 44 -2.2 39 -0.9 0 0.0 11 33
42 D 44 GLN Q T T 3 TS+ 0 0 -50.9 -51.6 179.8 53.3 121.5 18.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
43 D 45 ASP D T T 3 TS- 0 0 -68.6 9.8 179.1 -93.6 130.2 74.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
44 D 46 GLY G S t < TS+ 0 0 89.2 14.7 179.7 143.7 75.4 52.6 41 -2.2 0 0.0 0 0.0 0 0.0 6 20
45 D 47 GLU E e - 0 0 -89.8 144.4 180.0 -142.2 43.0 133.1 0 0.0 41 -2.5 0 0.0 47 -0.8 8 26
46 D 48 THR T E E BF - 40 0 -108.0 83.7 -179.6 -176.4 25.7 135.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
47 D 49 LEU L E E BF - 39 0 -76.2 154.5 -178.6 -168.7 3.9 110.5 39 -1.8 39 -1.2 45 -0.8 0 0.0 10 43
48 D 50 VAL V E E BF - 38 0 -148.8 134.7 179.9 -10.6 46.9 170.4 0 0.0 0 0.0 0 0.0 0 0.0 15 53
49 D 51 GLY G S h > TS+ 0 0 85.2 -135.5 -179.2 5.5 121.5 128.7 37 -2.4 53 -2.0 0 0.0 0 0.0 12 53
50 D 52 GLN Q H H > > TS+ 0 0 -53.5 -59.6 -179.9 48.7 131.8 14.4 0 0.0 54 -2.3 0 0.0 53 -0.8 9 38
51 D 53 PRO P H H 4 3 TS+ 0 0 -50.4 -39.3 179.8 50.5 112.1 30.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
52 D 54 ALA A H H 4 > TS+ 0 0 -68.9 -33.2 179.7 51.4 108.3 32.7 0 0.0 55 -0.7 0 0.0 0 0.0 13 41
53 D 55 LYS K H H < X TS+ 0 0 -68.1 -38.4 -178.8 62.3 103.9 25.2 49 -2.0 56 -1.4 50 -0.8 0 0.0 13 41
54 D 56 ARG R T h < 3 TS+ 0 0 -63.8 -15.4 179.7 40.3 106.3 57.0 50 -2.3 0 0.0 0 0.0 0 0.0 7 34
55 D 57 GLN Q T T < TS+ 0 0 -120.4 17.7 179.5 109.1 81.3 75.6 52 -0.7 0 0.0 0 0.0 0 0.0 9 32
56 D 58 ALA A S t X TS+ 0 0 -54.8 -57.6 178.2 52.8 75.2 20.8 53 -1.4 59 -2.0 0 0.0 0 0.0 10 36
57 D 59 VAL V T T 3 TS+ 0 0 -41.0 -69.9 178.1 44.9 111.7 18.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
58 D 60 THR T T T 3 TS+ 0 0 -55.1 -5.9 -177.3 29.7 129.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
59 D 61 ASN N g X T + 0 0 -157.8 56.1 -179.3 152.3 66.1 95.3 56 -2.0 62 -1.2 0 0.0 0 0.0 10 32
60 D 62 PRO P G G > TS+ 0 0 -55.5 -42.3 -176.3 55.6 73.0 36.6 0 0.0 63 -0.8 0 0.0 0 0.0 9 35
61 D 63 GLN Q G G 3 TS+ 0 0 -75.9 -10.4 179.8 36.2 115.2 49.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
62 D 64 ASN N G e < TS+ 0 0 -125.9 17.3 177.5 92.0 91.4 79.8 59 -1.2 40 -2.5 0 0.0 64 -0.8 11 47
63 D 65 THR T E E BE < T - 39 0 -111.7 89.6 -179.0 -161.0 66.0 147.8 60 -0.8 0 0.0 0 0.0 0 0.0 16 51
64 D 66 LEU L E E BE + 38 0 -76.0 141.1 179.1 157.4 19.5 117.5 38 -2.2 38 -2.4 62 -0.8 0 0.0 10 66
65 D 67 PHE F E E BE + 37 0 -154.8 166.1 -178.9 37.2 50.7 166.7 0 0.0 0 0.0 0 0.0 0 0.0 8 65
66 D 68 ALA A e > T + 0 0 55.2 39.2 -178.6 154.1 63.2 26.3 36 -0.7 69 -1.2 9 -0.6 0 0.0 10 66
67 D 69 ILE I G G > > T + 0 0 -72.7 -18.5 -179.9 74.9 58.8 42.3 0 0.0 70 -2.2 0 0.0 71 -1.8 11 71
68 D 70 LYS K G G 4 3 TS+ 0 0 -64.1 -23.9 178.0 68.9 82.3 37.2 0 0.0 0 0.0 0 0.0 0 0.0 9 69
69 D 71 ARG R G G 4 < TS+ 0 0 -68.6 -4.4 -178.7 28.0 113.9 59.1 66 -1.2 0 0.0 0 0.0 0 0.0 8 64
70 D 72 LEU L T g 4 X TS+ 0 0 -128.4 -22.7 -177.8 111.1 85.4 55.8 67 -2.2 73 -2.1 0 0.0 0 0.0 12 66
71 D 73 ILE I T T < 3 TS+ 0 0 -23.9 -68.0 -178.0 14.4 94.9 43.5 67 -1.8 0 0.0 0 0.0 0 0.0 11 64
72 D 74 GLY G T T 3 TS+ 0 0 -110.1 31.7 -179.0 102.9 105.1 87.1 0 0.0 0 0.0 0 0.0 0 0.0 12 52
73 D 75 ARG R t < T - 0 0 -113.9 159.9 -179.7 -116.1 64.6 136.1 70 -2.1 99 -2.4 0 0.0 0 0.0 12 47
74 D 76 ARG R B B A - 98 0 -90.9 150.9 -177.9 -97.1 42.9 128.5 0 0.0 0 0.0 0 0.0 0 0.0 11 40
75 D 77 PHE F S S S+ 0 0 -42.1 -16.4 176.9 61.2 114.1 52.1 97 -0.9 0 0.0 0 0.0 0 0.0 14 38
76 D 78 GLN Q + 0 0 -113.1 146.2 -177.3 109.8 67.2 154.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27
77 D 79 ASP D S h > >TS- 0 0 159.7 153.1 178.4 -100.7 74.7 139.9 0 0.0 81 -1.6 0 0.0 82 -0.5 9 29
78 D 80 GLU E H H > 5TS+ 0 0 -56.7 -57.6 179.2 41.7 125.2 6.9 0 0.0 82 -2.2 0 0.0 0 0.0 6 22
79 D 81 GLU E H H > 5TS+ 0 0 -49.7 -81.9 -178.5 42.5 117.2 14.4 0 0.0 83 -1.2 0 0.0 0 0.0 7 38
80 D 82 VAL V H H > >5TS+ 0 0 -36.0 -64.5 -179.2 43.0 118.3 32.6 0 0.0 84 -2.5 0 0.0 83 -1.6 14 39
81 D 83 GLN Q H H < 35TS+ 0 0 -54.3 -41.6 -180.0 50.1 115.4 25.8 77 -1.6 0 0.0 0 0.0 0 0.0 10 32
82 D 84 ARG R H H < 3 TS- 0 106 -119.6 121.5 178.8 -18.2 75.4 169.3 106 -2.3 106 -2.1 101 -0.5 0 0.0 12 41
104 D 106 LYS K T T 3 TS- 0 0 49.3 46.0 179.4 -55.1 126.6 23.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
105 D 107 GLY G T T 3 TS+ 0 0 75.6 -21.7 178.6 112.1 114.5 78.5 0 0.0 0 0.0 0 0.0 0 0.0 5 23
106 D 108 GLN Q E E CH < T - 103 0 -85.4 139.2 -178.7 -138.7 61.5 134.2 103 -2.1 103 -2.3 0 0.0 108 -0.5 6 29
107 D 109 LYS K E E CH - 102 0 -105.0 123.4 179.5 -179.2 23.5 150.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
108 D 110 MET M E E CH - 101 0 -125.2 150.3 179.2 -113.8 29.1 155.8 101 -3.0 101 -1.9 106 -0.5 0 0.0 10 46
109 D 111 ALA A h > > T - 0 0 -75.0 141.4 -180.0 -115.6 33.9 122.4 0 0.0 113 -0.9 0 0.0 112 -0.7 10 52
110 D 112 PRO P H H > > TS+ 0 0 -41.9 -47.7 179.7 53.8 117.0 31.6 0 0.0 114 -1.8 0 0.0 113 -1.2 14 64
111 D 113 PRO P H H > 3 TS+ 0 0 -58.4 -46.9 179.4 63.6 96.7 20.5 0 0.0 115 -2.5 0 0.0 0 0.0 11 54
112 D 114 GLN Q H H 4 < TS+ 0 0 -47.1 -28.9 179.0 46.0 108.7 36.7 109 -0.7 0 0.0 0 0.0 0 0.0 10 51
113 D 115 ILE I H H X X TS+ 0 0 -80.5 -50.2 -179.3 48.6 108.7 24.2 110 -1.2 116 -1.3 109 -0.9 117 -0.6 12 63
114 D 116 SER S H H X > TS+ 0 0 -58.1 -41.1 179.8 68.6 100.4 24.3 110 -1.8 117 -1.9 0 0.0 118 -1.9 12 65
115 D 117 ALA A H H X 3 TS+ 0 0 -47.3 -34.3 178.3 66.0 88.4 35.3 111 -2.5 119 -3.3 0 0.0 0 0.0 12 65
116 D 118 GLU E H H > < TS+ 0 0 -54.2 -43.6 -179.8 40.3 107.0 22.6 113 -1.3 120 -1.4 0 0.0 0 0.0 11 57
117 D 119 VAL V H H X < TS+ 0 0 -72.4 -43.0 178.5 50.0 114.4 30.2 114 -1.9 121 -1.5 113 -0.6 0 0.0 13 66
118 D 120 LEU L H H X TS+ 0 0 -60.7 -40.4 -179.8 58.3 107.2 23.8 114 -1.9 122 -3.1 0 0.0 0 0.0 13 73
119 D 121 LYS K H H X TS+ 0 0 -51.8 -48.6 178.7 47.6 106.6 23.2 115 -3.3 123 -2.2 0 0.0 0 0.0 10 54
120 D 122 LYS K H H X TS+ 0 0 -64.6 -30.3 179.8 49.0 111.8 42.1 116 -1.4 124 -1.1 0 0.0 0 0.0 9 62
121 D 123 MET M H H X TS+ 0 0 -76.6 -46.0 179.6 50.7 109.6 21.6 117 -1.5 125 -2.9 0 0.0 0 0.0 12 74
122 D 124 LYS K H H X TS+ 0 0 -54.8 -47.3 179.0 47.2 112.7 22.7 118 -3.1 126 -2.7 0 0.0 0 0.0 13 58
123 D 125 LYS K H H X TS+ 0 0 -64.1 -32.2 179.4 54.5 110.3 34.4 119 -2.2 127 -2.3 0 0.0 0 0.0 10 47
124 D 126 THR T H H X TS+ 0 0 -68.6 -45.7 178.7 42.1 111.4 21.8 120 -1.1 128 -0.7 0 0.0 0 0.0 12 52
125 D 127 ALA A H H X > TS+ 0 0 -65.7 -42.0 179.1 52.0 115.0 24.2 121 -2.9 129 -2.4 0 0.0 128 -0.8 14 54
126 D 128 GLU E H H X 3 TS+ 0 0 -59.5 -44.1 179.5 56.4 104.5 25.5 122 -2.7 130 -1.8 0 0.0 0 0.0 11 37
127 D 129 ASP D H H < 3 TS+ 0 0 -62.2 -20.9 179.7 43.2 113.2 41.4 123 -2.3 0 0.0 0 0.0 0 0.0 8 31
128 D 130 TYR Y H H < < TS+ 0 0 -85.9 -59.7 -179.5 37.0 117.9 18.5 125 -0.8 0 0.0 124 -0.7 0 0.0 7 34
129 D 131 LEU L H H < TS- 0 0 -68.2 -19.1 179.5 -133.6 96.7 51.3 125 -2.4 131 -0.5 0 0.0 0 0.0 7 31
130 D 132 GLY G S h < TS+ 0 0 92.1 -44.6 -179.4 89.8 77.1 101.8 126 -1.8 0 0.0 0 0.0 0 0.0 6 21
131 D 133 GLU E S S S- 0 0 -88.7 150.3 179.4 -94.8 89.9 124.2 129 -0.5 0 0.0 0 0.0 0 0.0 6 19
132 D 134 PRO P - 0 0 -59.8 149.5 178.8 -144.4 38.4 105.4 0 0.0 0 0.0 0 0.0 0 0.0 7 26
133 D 135 VAL V + 0 0 -113.7 153.7 -177.9 162.7 29.7 147.0 0 0.0 0 0.0 0 0.0 0 0.0 12 41
134 D 136 THR T e + 0 0 -151.1 0.2 -178.1 77.8 52.6 69.2 0 0.0 162 -3.1 0 0.0 0 0.0 9 44
135 D 137 GLU E E E Ai + 162 0 -125.9 139.9 179.7 151.9 49.7 161.9 1 -0.6 0 0.0 0 0.0 0 0.0 11 52
136 D 138 ALA A E E Ai - 163 0 -162.7 162.3 177.3 -132.3 37.2 178.3 162 -1.3 164 -1.3 0 0.0 165 -0.6 14 65
137 D 139 VAL V E E Aa - 4 0 -110.9 131.6 179.1 -164.2 27.3 158.7 3 -1.0 5 -2.7 0 0.0 0 0.0 17 68
138 D 140 ILE I E E Aa - 5 0 -124.4 138.0 -178.5 -133.1 12.4 168.1 0 0.0 0 0.0 0 0.0 0 0.0 13 77
139 D 141 THR T e - 0 0 -90.5 145.9 177.6 -173.2 20.6 125.4 5 -1.5 0 0.0 0 0.0 0 0.0 15 74
140 D 142 VAL V B B b - 168 0 -133.0 162.4 179.2 -86.2 36.1 156.9 167 -1.4 169 -3.5 0 0.0 0 0.0 12 71
141 D 143 PRO P t > T - 0 0 -68.0 129.4 -178.9 -116.6 41.6 118.6 0 0.0 144 -3.4 0 0.0 0 0.0 8 68
142 D 144 ALA A T T 3 TS+ 0 0 -43.2 -17.5 -179.5 56.1 115.5 50.5 0 0.0 0 0.0 0 0.0 0 0.0 10 55
143 D 145 TYR Y T T 3 TS+ 0 0 -101.8 11.4 -179.4 135.2 73.6 75.9 0 0.0 145 -0.7 0 0.0 0 0.0 5 45
144 D 146 PHE F t < T - 0 0 -69.1 107.8 179.3 -137.0 51.1 119.7 141 -3.4 0 0.0 0 0.0 0 0.0 9 41
145 D 147 ASN N h > > T - 0 0 -60.8 146.1 179.7 -99.5 32.1 105.4 143 -0.7 149 -1.6 0 0.0 148 -1.4 7 29
146 D 148 ASP D H H > 3 TS+ 0 0 -35.2 -37.5 178.9 63.4 124.0 38.9 0 0.0 150 -1.7 0 0.0 0 0.0 6 24
147 D 149 ALA A H H > 3 TS+ 0 0 -55.6 -53.6 179.1 38.8 107.1 21.5 0 0.0 151 -2.8 0 0.0 0 0.0 9 32
148 D 150 GLN Q H H > < TS+ 0 0 -64.8 -51.7 179.7 55.9 112.4 19.2 145 -1.4 152 -3.3 0 0.0 0 0.0 11 49
149 D 151 ARG R H H < TS+ 0 0 -51.1 -35.1 179.7 41.0 115.1 32.2 145 -1.6 0 0.0 0 0.0 0 0.0 12 43
150 D 152 GLN Q H H X > TS+ 0 0 -77.9 -54.6 178.9 49.0 113.8 17.6 146 -1.7 154 -2.4 0 0.0 153 -2.0 9 43
151 D 153 ALA A H H X 3 TS+ 0 0 -54.5 -29.1 177.5 54.4 110.4 35.9 147 -2.8 155 -1.2 0 0.0 0 0.0 11 47
152 D 154 THR T H H X 3 TS+ 0 0 -74.8 -20.6 178.6 51.2 107.9 42.7 148 -3.3 156 -0.7 0 0.0 0 0.0 12 60
153 D 155 LYS K H H > X TS+ 0 0 -80.3 -41.3 179.1 57.3 102.1 29.0 150 -2.0 157 -1.5 0 0.0 156 -0.5 10 52
154 D 156 ASP D H H X 3 TS+ 0 0 -57.1 -35.8 -179.5 63.2 99.1 31.7 150 -2.4 158 -2.4 0 0.0 0 0.0 9 45
155 D 157 ALA A H H X 3 TS+ 0 0 -57.1 -44.0 -180.0 49.0 101.6 25.5 151 -1.2 159 -0.7 0 0.0 0 0.0 14 53
156 D 158 GLY G H H < X>TS+ 0 0 -61.6 -46.5 -179.4 52.6 108.3 21.7 152 -0.7 161 -3.0 153 -0.5 159 -1.2 13 54
157 D 159 ARG R H H < >5TS+ 0 0 -53.3 -50.8 -179.4 53.2 107.1 20.2 153 -1.5 160 -2.0 0 0.0 0 0.0 10 38
158 D 160 ILE I H H < 35TS+ 0 0 -58.7 -20.2 -178.9 48.5 111.1 44.9 154 -2.4 0 0.0 0 0.0 0 0.0 9 35
159 D 161 ALA A T h < <5TS- 0 0 -102.0 0.9 179.8 -103.1 121.2 68.2 156 -1.2 0 0.0 155 -0.7 0 0.0 11 42
160 D 162 GLY G T T <5TS+ 0 0 83.7 21.5 -179.5 131.1 81.0 43.7 157 -2.0 162 -0.5 0 0.0 0 0.0 8 40
161 D 163 LEU L t b T - 140 0 -67.0 143.5 179.3 -132.6 24.0 105.2 0 0.0 172 -2.7 0 0.0 0 0.0 10 63
169 D 171 GLU E H H > TS+ 0 0 -60.1 -46.9 179.8 45.7 109.5 19.9 140 -3.5 173 -1.9 0 0.0 0 0.0 11 74
170 D 172 PRO P H H > TS+ 0 0 -60.1 -49.5 178.1 46.6 114.9 21.7 0 0.0 174 -2.0 0 0.0 0 0.0 12 72
171 D 173 THR T H H > TS+ 0 0 -57.1 -42.4 179.4 59.9 108.3 26.1 0 0.0 175 -3.4 0 0.0 0 0.0 11 66
172 D 174 ALA A H H X TS+ 0 0 -51.9 -49.7 179.1 44.7 105.9 26.4 168 -2.7 176 -1.7 0 0.0 0 0.0 17 73
173 D 175 ALA A H H X TS+ 0 0 -66.3 -35.6 178.9 53.2 112.8 31.8 169 -1.9 177 -1.6 0 0.0 0 0.0 16 75
174 D 176 ALA A H H X >TS+ 0 0 -64.8 -52.9 179.3 43.0 111.6 15.0 170 -2.0 178 -2.0 0 0.0 179 -1.7 14 68
175 D 177 LEU L H H < 5TS+ 0 0 -60.9 -29.4 -179.0 62.0 110.5 32.9 171 -3.4 0 0.0 0 0.0 0 0.0 13 69
176 D 178 ALA A H H < 5TS+ 0 0 -64.9 -37.3 179.7 37.9 108.8 33.2 172 -1.7 0 0.0 0 0.0 0 0.0 15 65
177 D 179 TYR Y H H < 5TS- 0 0 -81.8 -50.1 179.7 -90.6 123.2 22.2 173 -1.6 0 0.0 0 0.0 0 0.0 10 49
178 D 180 GLY G T h < 5TS+ 0 0 140.7 36.1 -179.0 140.8 72.3 59.2 174 -2.0 180 -0.7 0 0.0 0 0.0 7 48
179 D 181 LEU L t > TS- 0 0 -169.4 -174.8 179.7 -56.0 84.8 157.5 0 0.0 224 -2.2 0 0.0 225 -1.6 13 54
222 D 229 GLY G H H > > TS+ 0 0 -42.7 -58.0 -179.7 62.1 125.8 25.1 193 -2.5 226 -3.4 0 0.0 225 -1.0 11 61
223 D 230 GLU E H H > 3 TS+ 0 0 -43.1 -27.7 178.6 43.4 110.5 40.4 194 -2.2 227 -1.4 0 0.0 0 0.0 9 48
224 D 231 ASP D H H > < TS+ 0 0 -89.4 -30.6 177.4 53.1 110.2 40.0 221 -2.2 228 -0.6 0 0.0 0 0.0 10 44
225 D 232 PHE F H H X < TS+ 0 0 -70.2 -29.5 178.1 54.5 109.1 33.7 221 -1.6 229 -1.2 222 -1.0 0 0.0 11 58
226 D 233 ASP D H H X TS+ 0 0 -65.4 -55.9 -179.1 56.5 99.2 16.6 222 -3.4 230 -2.6 0 0.0 0 0.0 12 54
227 D 234 SER S H H X TS+ 0 0 -52.8 -18.8 178.0 61.4 101.7 46.4 223 -1.4 231 -1.7 0 0.0 0 0.0 9 45
228 D 235 ARG R H H X TS+ 0 0 -71.9 -53.9 179.0 38.5 109.3 15.4 224 -0.6 232 -2.5 0 0.0 0 0.0 10 47
229 D 236 LEU L H H X TS+ 0 0 -62.7 -45.2 179.3 55.3 114.2 22.5 225 -1.2 233 -2.1 0 0.0 0 0.0 13 57
230 D 237 ILE I H H X TS+ 0 0 -49.7 -58.6 -179.5 42.1 113.2 15.4 226 -2.6 234 -2.0 0 0.0 0 0.0 11 56
231 D 238 ASN N H H X TS+ 0 0 -57.0 -48.6 177.1 59.5 106.4 26.4 227 -1.7 235 -2.9 0 0.0 0 0.0 8 46
232 D 239 TYR Y H H X TS+ 0 0 -44.0 -47.7 -179.9 46.5 110.7 22.2 228 -2.5 236 -2.7 0 0.0 0 0.0 9 47
233 D 240 LEU L H H X TS+ 0 0 -63.6 -44.8 179.8 51.3 109.0 27.3 229 -2.1 237 -2.2 0 0.0 0 0.0 9 56
234 D 241 VAL V H H X TS+ 0 0 -61.2 -39.6 -179.6 43.0 115.8 24.7 230 -2.0 238 -1.6 0 0.0 0 0.0 11 48
235 D 242 GLU E H H X TS+ 0 0 -70.3 -44.5 178.9 54.6 111.0 28.2 231 -2.9 239 -2.0 0 0.0 0 0.0 9 36
236 D 243 GLU E H H X TS+ 0 0 -57.1 -43.5 179.5 50.0 107.7 28.9 232 -2.7 240 -2.7 0 0.0 0 0.0 8 37
237 D 244 PHE F H H X TS+ 0 0 -61.2 -48.6 -179.5 52.2 109.1 19.1 233 -2.2 241 -2.0 0 0.0 0 0.0 13 42
238 D 245 LYS K H H X TS+ 0 0 -56.7 -39.0 178.5 45.9 111.9 32.1 234 -1.6 242 -2.1 0 0.0 0 0.0 10 30
239 D 246 LYS K H H < TS+ 0 0 -70.1 -50.2 179.9 38.4 120.4 18.0 235 -2.0 0 0.0 0 0.0 0 0.0 8 20
240 D 247 ASP D H H < TS+ 0 0 -77.8 -9.7 -179.1 10.3 139.9 55.3 236 -2.7 0 0.0 0 0.0 0 0.0 6 22
241 D 248 GLN Q H H < TS- 0 0 -149.4 -0.3 178.9 -116.4 90.9 61.6 237 -2.0 0 0.0 0 0.0 0 0.0 6 29
242 D 249 GLY G h < T + 0 0 67.6 24.6 -179.8 128.4 69.9 44.7 238 -2.1 0 0.0 0 0.0 0 0.0 7 26
243 D 250 ILE I - 0 0 -118.7 144.9 178.4 -145.3 52.8 151.3 0 0.0 245 -0.8 0 0.0 0 0.0 7 34
244 D 251 ASP D - 0 0 -106.5 101.6 179.6 -178.0 12.3 150.6 0 0.0 0 0.0 0 0.0 0 0.0 10 34
245 D 252 LEU L S t > TS+ 0 0 -68.8 -20.6 -179.7 77.4 77.0 42.9 243 -0.8 248 -1.2 0 0.0 0 0.0 11 43
246 D 253 ARG R T T 3 TS+ 0 0 -52.7 -52.7 179.9 59.3 85.1 16.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
247 D 254 ASN N T T 3 TS+ 0 0 -43.9 -32.8 -176.6 79.9 97.7 35.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
248 D 255 ASP D h > < T - 0 0 -91.6 114.5 180.0 -172.6 55.9 135.3 245 -1.2 252 -2.1 0 0.0 0 0.0 8 32
249 D 256 PRO P H H > TS+ 0 0 -63.4 -55.4 -179.5 47.3 90.2 13.9 0 0.0 253 -2.8 0 0.0 0 0.0 8 25
250 D 257 LEU L H H > TS+ 0 0 -52.4 -44.7 -178.7 43.8 116.9 28.3 0 0.0 254 -1.1 0 0.0 0 0.0 6 28
251 D 258 ALA A H H > TS+ 0 0 -71.6 -36.2 179.5 49.5 114.5 34.2 0 0.0 255 -2.2 0 0.0 0 0.0 11 38
252 D 259 MET M H H X TS+ 0 0 -68.0 -54.6 179.0 47.9 110.0 14.8 248 -2.1 256 -3.0 0 0.0 0 0.0 10 42
253 D 260 GLN Q H H X TS+ 0 0 -53.9 -32.7 -179.4 48.6 116.4 34.1 249 -2.8 257 -1.1 0 0.0 0 0.0 8 37
254 D 261 ARG R H H X TS+ 0 0 -74.4 -43.6 -178.8 45.3 111.7 28.6 250 -1.1 258 -1.6 0 0.0 0 0.0 8 37
255 D 262 LEU L H H X TS+ 0 0 -71.4 -30.5 -179.0 64.8 105.5 36.6 251 -2.2 259 -2.6 0 0.0 0 0.0 10 49
256 D 263 LYS K H H X TS+ 0 0 -59.3 -49.1 -179.6 41.2 105.6 22.7 252 -3.0 260 -2.0 0 0.0 0 0.0 11 43
257 D 264 GLU E H H X TS+ 0 0 -67.3 -45.2 178.5 52.9 113.1 22.7 253 -1.1 261 -3.0 0 0.0 0 0.0 8 41
258 D 265 ALA A H H X TS+ 0 0 -55.2 -44.7 178.7 48.9 110.3 24.7 254 -1.6 262 -2.7 0 0.0 0 0.0 10 44
259 D 266 ALA A H H X TS+ 0 0 -59.7 -45.0 179.5 49.9 112.1 23.7 255 -2.6 263 -3.7 0 0.0 0 0.0 12 52
260 D 267 GLU E H H X TS+ 0 0 -62.4 -41.2 179.2 44.5 112.6 28.1 256 -2.0 264 -1.5 0 0.0 0 0.0 10 48
261 D 268 LYS K H H X TS+ 0 0 -71.6 -31.7 178.4 50.5 115.9 33.2 257 -3.0 265 -1.9 0 0.0 0 0.0 8 42
262 D 269 ALA A H H X TS+ 0 0 -66.1 -61.3 178.8 53.5 105.6 9.7 258 -2.7 266 -2.7 0 0.0 0 0.0 12 49
263 D 270 LYS K H H < TS+ 0 0 -42.6 -42.7 178.9 45.0 113.1 32.8 259 -3.7 0 0.0 0 0.0 0 0.0 11 55
264 D 271 ILE I H H < > TS+ 0 0 -71.5 -43.2 179.4 50.4 111.7 24.0 260 -1.5 267 -0.6 0 0.0 0 0.0 8 46
265 D 272 GLU E H H < > TS+ 0 0 -62.5 -33.3 -179.6 71.5 97.8 32.6 261 -1.9 268 -1.5 0 0.0 267 -1.1 9 37
266 D 273 LEU L T h < 3 TS+ 0 0 -76.2 38.4 -179.7 63.0 88.4 93.7 262 -2.7 0 0.0 0 0.0 0 0.0 14 44
267 D 274 SER S T T < TS+ 0 0 -142.2 9.5 179.6 31.3 111.9 78.2 265 -1.1 0 0.0 264 -0.6 0 0.0 11 37
268 D 275 SER S S t < TS+ 0 0 -149.4 6.7 178.8 46.3 124.9 83.8 265 -1.5 0 0.0 0 0.0 0 0.0 6 27
269 D 276 ALA A S S S- 0 0 -144.7 170.2 -179.3 -130.0 74.9 153.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
270 D 277 GLN Q S e S+ 0 0 -100.2 -20.6 179.4 3.7 88.8 50.3 0 0.0 295 -3.1 0 0.0 0 0.0 9 26
271 D 278 GLN Q E E EM - 294 0 -159.3 152.2 177.0 -174.0 61.8 167.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
272 D 279 THR T E E EM - 293 0 -141.5 178.6 -176.6 -110.8 25.1 149.9 293 -2.7 293 -2.0 0 0.0 0 0.0 11 33
273 D 280 ASP D E E EM - 292 0 -124.9 117.8 177.5 -151.4 4.8 160.1 0 0.0 275 -1.7 0 0.0 0 0.0 9 39
274 D 281 VAL V E E EM - 291 0 -81.8 93.7 -179.4 -179.3 30.4 131.2 291 -1.7 291 -1.5 0 0.0 276 -0.8 12 47
275 D 282 ASN N E E EM + 290 0 -102.6 101.4 179.2 157.4 14.1 144.2 273 -1.7 0 0.0 0 0.0 0 0.0 8 36
276 D 283 LEU L E E EM > T - 289 0 -124.1 92.9 179.5 -161.2 22.4 146.0 289 -3.1 289 -3.1 274 -0.8 279 -0.7 9 37
277 D 284 PRO P E E E* 3 TS+ 0 0 -63.8 166.4 179.5 17.0 78.6 102.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
278 D 285 TYR Y E E E* 3 TS+ 0 0 35.5 46.2 179.9 162.5 75.5 34.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
279 D 286 ILE I E E E* < T - 0 0 -62.1 -28.8 178.5 -41.7 64.6 37.0 287 -1.0 0 0.0 276 -0.7 0 0.0 10 43
280 D 287 THR T E E EM - 287 0 -171.3 -161.8 -179.9 -131.4 56.7 155.3 287 -1.5 287 -2.9 0 0.0 0 0.0 9 35
281 D 288 ALA A E E EM + 286 0 -168.6 158.3 -180.0 170.6 17.6 168.2 0 0.0 0 0.0 0 0.0 0 0.0 9 27
282 D 289 ASP D E E EM > T - 285 0 -152.2 -158.0 -179.4 -55.1 59.3 135.1 285 -1.8 285 -1.4 0 0.0 0 0.0 7 21
283 D 290 ALA A T T 3 TS+ 0 0 -62.9 -30.7 -178.8 55.8 129.9 34.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
284 D 291 THR T T T 3 TS- 0 0 -90.1 24.1 -179.6 -97.4 120.1 84.8 0 0.0 0 0.0 0 0.0 0 0.0 5 13
285 D 292 GLY G E E EM < T - 282 0 92.4 -177.0 -179.8 -18.6 66.9 109.7 282 -1.4 282 -1.8 0 0.0 0 0.0 6 15
286 D 293 PRO P E E EM - 281 0 -69.9 149.8 -179.2 -145.4 56.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 9 22
287 D 294 LYS K E E EM - 280 0 -118.1 140.4 -179.7 -162.5 8.3 154.9 280 -2.9 280 -1.5 0 0.0 279 -1.0 10 34
288 D 295 HIS H E E E* - 0 0 -123.3 145.8 -179.9 -139.2 12.1 158.8 0 0.0 290 -0.5 0 0.0 0 0.0 9 37
289 D 296 MET M E E EM + 276 0 -111.9 129.3 176.7 157.4 29.2 158.2 276 -3.1 276 -3.1 0 0.0 0 0.0 11 47
290 D 297 ASN N E E EM + 275 0 -147.3 96.7 179.3 163.3 14.4 142.9 288 -0.5 0 0.0 0 0.0 0 0.0 9 38
291 D 298 ILE I E E EM - 274 0 -115.0 159.3 177.9 -137.8 30.0 143.6 274 -1.5 274 -1.7 0 0.0 0 0.0 8 43
292 D 299 LYS K E E EM - 273 0 -117.5 122.6 178.6 -173.3 19.8 167.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38
293 D 300 VAL V E E EM - 272 0 -120.7 132.7 -178.9 -158.2 6.8 168.0 272 -2.0 272 -2.7 0 0.0 0 0.0 13 44
294 D 301 THR T E E >EM T - 271 0 -107.5 154.0 178.3 -109.7 35.7 138.0 0 0.0 298 -2.4 0 0.0 0 0.0 10 38
295 D 302 ARG R H H > TS+ 0 0 -41.2 -50.5 -178.1 53.0 124.4 17.6 270 -3.1 299 -3.0 0 0.0 0 0.0 11 40
296 D 303 ALA A H H > TS+ 0 0 -55.0 -48.4 -179.9 45.5 106.8 31.1 0 0.0 300 -2.5 0 0.0 0 0.0 8 36
297 D 304 LYS K H H > TS+ 0 0 -62.0 -53.6 179.7 48.9 114.8 9.8 0 0.0 301 -2.3 0 0.0 0 0.0 8 40
298 D 305 LEU L H H X > TS+ 0 0 -44.8 -59.5 179.7 49.3 112.4 19.5 294 -2.4 302 -1.8 0 0.0 301 -1.0 12 53
299 D 306 GLU E H H < 3 TS+ 0 0 -46.1 -49.7 178.7 51.4 109.2 30.9 295 -3.0 0 0.0 0 0.0 0 0.0 9 48
300 D 307 SER S H H < 3 TS+ 0 0 -59.1 -33.8 179.4 50.4 110.9 33.7 296 -2.5 0 0.0 0 0.0 0 0.0 7 35
301 D 308 LEU L H H < < TS+ 0 0 -73.4 -33.1 -178.9 38.3 117.0 35.9 297 -2.3 0 0.0 298 -1.0 0 0.0 9 42
302 D 309 VAL V S h X TS+ 0 0 -104.5 14.8 -179.1 108.0 85.8 81.9 298 -1.8 306 -1.4 0 0.0 0 0.0 10 50
303 D 310 GLU E H H > > TS+ 0 0 -57.8 -69.1 -179.2 46.0 75.4 12.2 0 0.0 307 -2.9 0 0.0 306 -1.0 8 38
304 D 311 ASP D H H > 3 TS+ 0 0 -53.1 -17.1 179.1 54.6 113.2 48.4 0 0.0 308 -1.0 0 0.0 0 0.0 6 33
305 D 312 LEU L H H > 3 TS+ 0 0 -86.5 -35.6 179.0 43.8 109.9 33.2 0 0.0 309 -1.0 0 0.0 0 0.0 9 48
306 D 313 VAL V H H X < TS+ 0 0 -75.6 -32.9 179.5 45.2 118.7 31.6 302 -1.4 310 -1.4 303 -1.0 0 0.0 11 55
307 D 314 ASN N H H X TS+ 0 0 -78.1 -29.4 179.1 60.8 104.9 35.0 303 -2.9 311 -2.9 0 0.0 0 0.0 9 42
308 D 315 ARG R H H X TS+ 0 0 -63.2 -31.4 179.7 54.3 102.9 30.7 304 -1.0 312 -1.0 0 0.0 0 0.0 8 39
309 D 316 SER S H H X > TS+ 0 0 -63.9 -52.8 -179.5 44.5 110.7 15.3 305 -1.0 313 -0.9 0 0.0 312 -0.6 11 55
310 D 317 ILE I H H X > TS+ 0 0 -61.8 -45.0 178.6 60.5 103.5 27.5 306 -1.4 314 -1.6 0 0.0 313 -0.6 11 50
311 D 318 GLU E H H X 3 TS+ 0 0 -52.8 -29.8 179.1 45.4 110.7 31.8 307 -2.9 315 -1.4 0 0.0 0 0.0 8 35
312 D 319 LEU L H H X < TS+ 0 0 -81.3 -24.5 178.2 61.0 104.2 43.4 308 -1.0 316 -1.2 309 -0.6 0 0.0 11 43
313 D 320 LEU L H H X < TS+ 0 0 -69.7 -22.9 179.1 55.0 103.2 45.3 309 -0.9 317 -0.6 310 -0.6 0 0.0 10 56
314 D 321 LYS K H H X > TS+ 0 0 -77.1 -53.7 178.9 43.8 107.2 19.8 310 -1.6 318 -1.8 0 0.0 317 -0.8 8 42
315 D 322 VAL V H H X 3 TS+ 0 0 -67.0 -18.0 178.6 65.3 105.8 44.5 311 -1.4 319 -1.5 0 0.0 0 0.0 9 31
316 D 323 ALA A H H < 3 TS+ 0 0 -69.8 -34.7 179.0 35.9 110.4 31.0 312 -1.2 0 0.0 0 0.0 0 0.0 14 46
317 D 324 LEU L H H < <>TS+ 0 0 -87.6 -27.8 179.0 60.9 110.9 43.2 314 -0.8 322 -1.7 313 -0.6 0 0.0 12 42
318 D 325 GLN Q H H < >5TS+ 0 0 -66.8 -33.8 179.2 43.9 109.6 31.0 314 -1.8 321 -0.5 0 0.0 0 0.0 8 29
319 D 326 ASP D T h < 35TS+ 0 0 -80.0 -25.4 179.5 46.8 116.3 41.9 315 -1.5 0 0.0 0 0.0 0 0.0 7 26
320 D 327 ALA A T T 35TS- 0 0 -98.1 12.4 180.0 -134.4 105.8 76.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
321 D 328 GLY G T T <5T + 0 0 37.3 45.5 179.4 119.0 60.4 41.2 318 -0.5 0 0.0 0 0.0 0 0.0 6 27
322 D 329 LEU L t > T - 0 0 -105.0 160.2 179.3 -96.4 44.2 134.9 0 0.0 326 -1.3 0 0.0 327 -1.1 7 32
324 D 331 VAL V T T 4 3 TS+ 0 0 -49.8 -13.1 179.6 63.5 126.4 47.1 0 0.0 0 0.0 0 0.0 0 0.0 8 44
325 D 332 SER S T T 4 3 TS+ 0 0 -76.8 -46.6 178.8 58.0 91.4 25.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
326 D 333 ASP D T T 4 < TS+ 0 0 -52.6 -29.7 179.5 88.8 90.9 37.2 323 -1.3 328 -0.7 0 0.0 0 0.0 7 32
327 D 334 ILE I t < T + 0 0 -74.7 110.0 -179.1 178.9 55.2 129.2 323 -1.1 0 0.0 0 0.0 0 0.0 13 49
328 D 335 ASP D + 0 0 -84.2 -26.0 -179.5 18.0 68.2 39.1 186 -1.3 0 0.0 326 -0.7 0 0.0 8 42
329 D 336 ASP D E E Dk - 187 0 -149.2 141.3 177.4 -169.2 56.3 176.6 186 -2.4 188 -2.0 0 0.0 0 0.0 10 54
330 D 337 VAL V E E Dk - 188 0 -133.3 118.3 179.9 -169.2 13.1 166.5 0 0.0 355 -2.0 0 0.0 0 0.0 13 66
331 D 338 ILE I E E Dkc - 189 355 -110.0 150.0 -179.4 -136.7 12.7 143.8 188 -1.3 190 -3.2 0 0.0 0 0.0 13 66
332 D 339 LEU L E E Dk + 190 0 -105.0 145.3 -178.2 178.4 19.1 142.8 355 -1.1 0 0.0 0 0.0 0 0.0 13 71
333 D 340 VAL V E E Dk + 191 0 -149.1 112.9 178.8 65.6 44.2 152.8 190 -2.6 192 -0.7 0 0.0 0 0.0 16 72
334 D 341 GLY G S g > TS- 0 0 138.6 84.0 -179.6 -116.5 74.7 67.6 360 -1.0 337 -3.6 0 0.0 0 0.0 12 69
335 D 342 GLY G G G > TS+ 0 0 -8.5 -36.8 178.5 67.8 113.5 58.6 0 0.0 338 -1.3 0 0.0 0 0.0 10 60
336 D 343 GLN Q G G > TS+ 0 0 -66.9 -20.4 178.8 72.6 82.4 48.0 192 -0.7 339 -1.7 0 0.0 0 0.0 10 60
337 D 344 THR T G G < TS+ 0 0 -73.5 1.4 179.8 84.2 75.7 63.0 334 -3.6 0 0.0 0 0.0 0 0.0 13 62
338 D 345 ARG R G G < T + 0 0 -77.9 -12.1 179.0 106.6 64.3 51.6 335 -1.3 0 0.0 0 0.0 0 0.0 10 53
339 D 346 MET M S h > X TS- 0 0 -70.0 121.3 179.8 -136.9 74.6 123.6 336 -1.7 343 -2.4 0 0.0 342 -1.4 8 58
340 D 347 PRO P H H > 3 TS+ 0 0 -40.3 -59.3 -178.7 58.7 100.0 24.8 0 0.0 344 -2.8 0 0.0 0 0.0 8 46
341 D 348 MET M H H > 3 TS+ 0 0 -46.0 -36.8 178.1 41.2 109.6 43.7 0 0.0 345 -1.8 0 0.0 0 0.0 8 48
342 D 349 VAL V H H > < TS+ 0 0 -80.1 -43.6 177.8 56.0 111.5 27.3 339 -1.4 346 -1.5 0 0.0 0 0.0 10 62
343 D 350 GLN Q H H X TS+ 0 0 -46.6 -51.7 179.6 35.5 119.0 17.9 339 -2.4 347 -1.9 0 0.0 0 0.0 11 50
344 D 351 LYS K H H X > TS+ 0 0 -63.1 -80.0 -179.7 55.2 110.1 0.6 340 -2.8 348 -2.2 0 0.0 347 -1.0 9 37
345 D 352 LYS K H H X 3 TS+ 0 0 -30.4 -26.6 179.0 44.0 117.3 45.9 341 -1.8 349 -0.8 0 0.0 0 0.0 11 42
346 D 353 VAL V H H X 3 TS+ 0 0 -89.7 -44.2 178.6 56.6 106.2 31.9 342 -1.5 350 -1.1 0 0.0 0 0.0 11 54
347 D 354 ALA A H H X < TS+ 0 0 -56.4 -27.1 180.0 49.6 110.9 36.5 343 -1.9 351 -0.5 344 -1.0 0 0.0 11 40
348 D 355 GLU E H H < TS+ 0 0 -81.2 -36.9 -179.6 51.2 106.3 33.9 344 -2.2 0 0.0 0 0.0 0 0.0 9 32
349 D 356 PHE F H H < TS+ 0 0 -78.5 -9.5 179.2 34.4 121.7 52.8 345 -0.8 0 0.0 0 0.0 0 0.0 8 42
350 D 357 PHE F H H < TS- 0 0 -117.8 -7.1 179.7 -140.2 97.7 61.0 346 -1.1 352 -1.8 0 0.0 0 0.0 11 43
351 D 358 GLY G S h < TS+ 0 0 82.2 -61.6 178.9 77.8 77.1 113.3 347 -0.5 0 0.0 0 0.0 0 0.0 7 29
352 D 359 LYS K S S S- 0 0 -78.6 153.3 179.6 -97.8 95.5 117.5 350 -1.8 0 0.0 0 0.0 0 0.0 6 29
353 D 360 GLU E - 0 0 -71.6 133.6 179.9 -115.9 39.7 121.0 0 0.0 0 0.0 0 0.0 0 0.0 10 31
354 D 361 PRO P - 0 0 -68.4 147.2 179.4 -117.4 33.0 115.3 0 0.0 0 0.0 0 0.0 0 0.0 11 49
355 D 362 ARG R B B c + 331 0 -88.2 140.5 -179.7 162.4 40.9 131.9 330 -2.0 332 -1.1 0 0.0 0 0.0 8 46
356 D 363 LYS K + 0 0 -142.3 27.3 179.6 132.1 26.9 89.2 0 0.0 0 0.0 0 0.0 0 0.0 8 44
357 D 364 ASP D S S S+ 0 0 -55.3 -15.8 -179.4 66.3 72.5 42.7 0 0.0 359 -0.5 0 0.0 0 0.0 5 32
358 D 365 VAL V S S S- 0 0 -116.8 123.5 -179.6 -91.7 105.9 157.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
359 D 366 ASN N t > > T - 0 0 -29.5 110.0 -180.0 -138.2 31.6 82.7 357 -0.5 363 -2.5 0 0.0 362 -1.7 8 48
360 D 367 PRO P T T 4 3 TS+ 0 0 -48.0 -25.4 179.4 38.0 101.6 48.8 0 0.0 334 -1.0 0 0.0 0 0.0 12 55
361 D 368 ASP D T T 4 3 TS+ 0 0 -108.5 -3.8 178.1 44.1 120.3 62.2 0 0.0 0 0.0 0 0.0 0 0.0 10 65
362 D 369 GLU E T h > < TS+ 0 0 -109.1 -16.3 -177.1 87.9 92.7 54.9 359 -1.7 366 -2.6 0 0.0 0 0.0 11 65
363 D 370 ALA A H H X > TS+ 0 0 -46.9 -76.3 -177.1 40.2 89.2 20.4 359 -2.5 367 -2.6 0 0.0 366 -1.0 14 67
364 D 371 VAL V H H > 3 TS+ 0 0 -49.4 -30.8 178.4 53.5 116.1 39.0 0 0.0 368 -2.1 0 0.0 0 0.0 15 74
365 D 372 ALA A H H > 3 TS+ 0 0 -70.7 -40.3 179.3 45.8 111.2 26.1 0 0.0 369 -0.8 0 0.0 0 0.0 20 75
366 D 373 ILE I H H X < TS+ 0 0 -69.6 -37.8 179.7 56.3 108.2 31.1 362 -2.6 370 -2.1 363 -1.0 0 0.0 19 70
367 D 374 GLY G H H X > TS+ 0 0 -56.1 -54.4 180.0 50.3 107.1 9.4 363 -2.6 371 -2.1 0 0.0 370 -0.7 16 68
368 D 375 ALA A H H X 3 TS+ 0 0 -54.4 -25.3 -179.7 52.7 108.9 44.3 364 -2.1 372 -1.2 0 0.0 0 0.0 20 69
369 D 376 ALA A H H < 3 TS+ 0 0 -81.0 -36.3 -178.9 47.7 108.7 31.9 365 -0.8 0 0.0 0 0.0 0 0.0 18 64
370 D 377 VAL V H H < <>TS+ 0 0 -73.3 -35.2 178.6 54.1 109.2 34.2 366 -2.1 375 -0.8 367 -0.7 0 0.0 15 57
371 D 378 GLN Q H H < >TS+ 0 0 -61.7 -65.3 178.2 36.6 115.9 5.0 367 -2.1 376 -1.8 0 0.0 0 0.0 13 57
372 D 379 GLY G T h < 5TS+ 0 0 -59.8 -11.3 179.7 100.4 110.3 47.6 368 -1.2 0 0.0 0 0.0 0 0.0 15 51
373 D 380 GLY G T t 5TS- 0 0 -51.5 -152.9 -179.5 -35.3 108.8 62.8 0 0.0 0 0.0 0 0.0 0 0.0 13 44
374 D 381 VAL V T t 5TS+ 0 0 -45.5 -18.6 179.6 68.8 137.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
375 D 382 LEU L T t 5555< 5-turns
3-turns >33< >33< >33< >3>X33<< >>333X33< 3-turns
bridge-2 BBB CCC DDDD FFF bridge-2
bridge-1 aa BBB DDDD CCC EEE FFF EEE A GGGG AGG bridge-1
sheets AAA AAAAAAAA AAAA AAA BBBB BBB BBB CCCC CC sheets
4-turns >>44<< >444< >>>><5555< >5555< 5-turns
3-turns >33< >>33<< >33< >33<>33< >33X33X>3<< 3-turns
bridge-2 HHH kkkkk LLLL bridge-2
bridge-1 GG HHH iiaa b ii b JJJJJJJJJ JJJJ bridge-1
sheets CCC CCC AAAA AA DDDDDDDDD DDDD sheets
4-turns >>>4XXX>XXXXXXXXXX<<<< >>>>XX<<<< >>>>XXX<<<< 4-turns
summary EEETTEEEhHHHHHHHHHHHHHHHHHHHHhS eEEEEeBtTTthHHHHHHHHHHHHHhTtEEe hHHHHHHHHHht eEEEEEEEEEeSSeEEEE summary
sequence VEVKGQKMAPPQISAEVLKKMKKTAEDYLGEPVTEAVITVPAYFNDAQRQATKDAGRIAGLEVKRIINEPTAAALAYGLDKTGNRTIAVYDLGGGTFDIS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEE EEEEEEEESS SHHHHHHHHHHHHHHHHHHHH STT HHHHHHHHHHHHHHHHHTTSSSEEEEEEEEEEEETTEEEEEEEEEEHHHHHH Kabs/Sand
chirality +--- ---+--++--+++-+++++++++++++++++++-+--+++-++++++++++++++++++++-+----+-++--+-+-----++----++++++ chirality
bends SS SSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSS SS SS SSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTT turns
5-turns 5-turns
3-turns >>3<< >33< >>3<< >33< >33< >33 3-turns
bridge-2 LLL bridge-2
bridge-1 JJJJJ LL*LLLLL MMMMMM***MMM MMM*MMMMMM bridge-1
sheets DDDDD DDDDDDDD EEEEEEEEEEEE EEEEEEEEEE sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>X<< 4-turns
summary EEEEEe EEEEEEEESS hHHHHHHHHHHHHHHHHHHHHh tTThHHHHHHHHHHHHHHHHHhTtSeEEEEEEEEEEEETTEEEEEEEEEEHHHHHH summary
sequence IIEIDEKTFEVLATNGDTHLGGEDFDSRLINYLVEEFKKDQGIDLRNDPLAMQRLKEAAEKAKIELSSAQQTDVNLPYITADATGPKHMNIKVTRAKLES sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HSHHHHHHHHHHHHHHHHTTT TTT EEEEESGGGGSHHHHHHHHHHHSS B SS TTTHHHHHHHHHTTTT Kabs/Sand
chirality +++++++++++++++++++-+--+++++---++-++++-++++++++++-+---+++--+++++++++++++-+ chirality
bends SSSSSSSSSSSSSSSSSSSS SSS SSSS SSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns < >33< >>3<<>33<>33< >33< >>><33< >33<>33<>33< 3-turns
bridge-2 c bridge-2
bridge-1 kkkkk c bridge-1
sheets DDDDD sheets
4-turns >>XXXXXXXXXX<<<< >444< >>>>XXXXX<<<< >44>X>>XXX<<<< 4-turns
summary HhHHHHHHHHHHHHHHHHhTTttTTTt EEEEEgGGGGhHHHHHHHHHHHhS B SStTThHHHHHHHHHhtttt summary
sequence LVEDLVNRSIELLKVALQDAGLSVSDIDDVILVGGQTRMPMVQKKVAEFFGKEPRKDVNPDEAVAIGAAVQGGVLT sequence
310 320 330 340 350 360 370
Messages
chain break between 181(D 183 ) and 182(D 185 )
chain break between 206(D 209 ) and 207(D 214 )