Secondary structure calculation program - copyright by David Keith Smith, 1989
1bxbA.pdb
1BXB ISOMERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 387
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 28.5 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 18
2 A 2 TYR Y + 0 0 -117.9 49.1 -179.4 138.7 999.9 114.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
3 A 3 GLU E - 0 0 -100.0 128.9 -176.7 -114.5 55.9 150.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
4 A 4 PRO P - 0 0 -63.5 136.1 176.9 -168.1 33.0 111.2 0 0.0 0 0.0 0 0.0 0 0.0 12 41
5 A 5 LYS K g > T - 0 0 -124.2 160.7 -171.0 -113.3 33.5 147.0 0 0.0 8 -1.6 0 0.0 0 0.0 9 33
6 A 6 PRO P G G > TS+ 0 0 -68.2 -25.3 178.8 64.0 114.1 34.3 0 0.0 9 -1.3 0 0.0 0 0.0 9 34
7 A 7 GLU E G G 3 TS+ 0 0 -72.3 -12.6 173.6 69.5 89.5 51.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
8 A 8 HIS H G G < TS- 0 0 -72.6 -23.1 177.7 -145.2 94.9 39.1 5 -1.6 0 0.0 0 0.0 0 0.0 8 48
9 A 9 ARG R e < T + 0 0 58.8 41.7 170.7 171.9 30.2 33.3 6 -1.3 283 -2.9 0 0.0 0 0.0 12 52
10 A 10 PHE F E E Aa - 283 0 -76.4 129.2 175.3 -178.6 7.6 128.1 0 0.0 48 -3.1 0 0.0 49 -1.3 14 62
11 A 11 THR T E E Aab - 284 49 -127.8 161.0 177.2 -161.2 16.0 151.4 283 -2.0 285 -2.1 0 0.0 0 0.0 13 70
12 A 12 PHE F E E A b - 0 50 -138.6 135.0 171.2 -126.3 20.5 170.7 49 -1.2 51 -1.6 0 0.0 0 0.0 14 72
13 A 13 GLY G E E >A b> T - 0 51 -70.1 153.6 174.6 -121.1 24.6 115.7 0 0.0 16 -1.3 0 0.0 17 -0.9 12 70
14 A 14 LEU L H H > 3 TS+ 0 0 -57.9 -37.0 -174.6 57.5 116.5 24.4 51 -2.4 18 -1.5 0 0.0 0 0.0 13 60
15 A 15 TRP W H H 4 3 TS+ 0 0 -71.9 -11.5 -175.6 61.8 99.5 53.8 0 0.0 0 0.0 0 0.0 0 0.0 9 58
16 A 16 THR T H H 4 X TS+ 0 0 -83.0 -71.0 174.1 19.9 117.4 11.7 13 -1.3 19 -1.3 0 0.0 0 0.0 11 68
17 A 17 VAL V H H < 3 TS+ 0 0 -68.9 -18.4 179.9 61.7 124.6 38.2 13 -0.9 0 0.0 0 0.0 0 0.0 14 66
18 A 18 GLY G T h < 3 TS+ 0 0 -85.4 -2.8 -179.0 126.4 72.8 58.8 14 -1.5 0 0.0 0 0.0 0 0.0 9 52
19 A 19 ASN N t < T - 0 0 -59.0 129.3 -173.8 -151.3 52.5 110.3 16 -1.3 0 0.0 0 0.0 0 0.0 11 51
20 A 20 VAL V - 0 0 -91.2 2.0 170.7 -110.2 37.7 64.3 0 0.0 29 -2.3 0 0.0 30 -2.0 9 39
21 A 21 GLY G + 0 0 84.6 17.3 174.5 148.9 64.6 44.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
22 A 22 ARG R + 0 0 -80.5 136.5 173.4 172.8 17.8 131.1 0 0.0 0 0.0 0 0.0 0 0.0 10 29
23 A 23 ASP D B B A > T - 26 0 -135.2 -177.2 -170.3 -85.4 50.0 142.4 26 -1.6 26 -1.4 0 0.0 0 0.0 7 26
24 A 24 PRO P T T 3 TS+ 0 0 -68.6 -11.7 -176.7 33.8 128.5 45.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
25 A 25 PHE F T T 3 TS+ 0 0 -121.0 14.5 -168.2 55.9 117.1 84.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
26 A 26 GLY G B B A < TS- 23 0 -157.5 146.4 172.8 -114.3 70.7 172.6 23 -1.4 23 -1.6 0 0.0 0 0.0 6 14
27 A 27 ASP D - 0 0 -69.3 160.3 172.8 -79.4 55.9 107.3 0 0.0 0 0.0 0 0.0 0 0.0 7 18
28 A 28 ALA A - 0 0 -57.9 140.8 -179.6 -167.0 37.3 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 26
29 A 29 VAL V + 0 0 -110.4 -8.1 -179.1 50.8 66.9 65.7 20 -2.3 0 0.0 0 0.0 0 0.0 9 27
30 A 30 ARG R S S S- 0 0 -127.2 163.5 177.1 -104.4 84.6 156.4 20 -2.0 0 0.0 0 0.0 0 0.0 9 29
31 A 31 GLU E - 0 0 -86.7 147.4 173.3 -100.3 41.1 124.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
32 A 32 ARG R - 0 0 -63.4 130.8 179.5 -139.5 41.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
33 A 33 LEU L - 0 0 -98.2 149.3 179.8 -111.2 13.6 141.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
34 A 34 ASP D h > T - 0 0 -79.9 131.1 177.2 -131.0 20.9 126.1 0 0.0 38 -2.2 0 0.0 0 0.0 6 36
35 A 35 PRO P H H > TS+ 0 0 -47.1 -40.3 -179.9 49.8 108.7 31.4 0 0.0 39 -2.1 0 0.0 0 0.0 9 50
36 A 36 VAL V H H > TS+ 0 0 -71.5 -34.5 177.9 54.0 109.3 28.7 0 0.0 40 -1.9 0 0.0 0 0.0 9 43
37 A 37 TYR Y H H > TS+ 0 0 -65.2 -43.2 -178.9 46.6 108.4 25.9 0 0.0 41 -1.8 0 0.0 0 0.0 8 41
38 A 38 VAL V H H X TS+ 0 0 -73.3 -28.2 170.8 58.3 107.4 25.3 34 -2.2 42 -3.0 0 0.0 0 0.0 12 54
39 A 39 VAL V H H X TS+ 0 0 -59.2 -45.7 175.3 45.1 109.0 19.6 35 -2.1 43 -2.2 0 0.0 0 0.0 13 52
40 A 40 HIS H H H X TS+ 0 0 -65.6 -38.2 176.2 50.2 113.7 31.6 36 -1.9 44 -1.9 0 0.0 0 0.0 10 39
41 A 41 LYS K H H X TS+ 0 0 -63.2 -50.8 179.3 47.8 110.8 18.8 37 -1.8 45 -2.0 0 0.0 0 0.0 8 44
42 A 42 LEU L H H X >TS+ 0 0 -57.8 -41.7 179.3 50.9 111.7 24.6 38 -3.0 47 -2.3 0 0.0 46 -1.0 12 58
43 A 43 ALA A H H < >5TS+ 0 0 -61.5 -45.0 178.9 49.6 110.1 21.7 39 -2.2 46 -0.9 0 0.0 0 0.0 12 45
44 A 44 GLU E H H < 35TS+ 0 0 -60.5 -32.6 -174.3 53.4 109.3 30.4 40 -1.9 0 0.0 0 0.0 0 0.0 7 36
45 A 45 LEU L H H < 35TS- 0 0 -82.5 -17.8 176.1 -105.0 121.4 52.9 41 -2.0 0 0.0 0 0.0 0 0.0 9 41
46 A 46 GLY G T h < <5T + 0 0 108.9 6.0 -178.3 154.4 64.2 61.6 42 -1.0 0 0.0 43 -0.9 0 0.0 10 45
47 A 47 ALA A t Ac > T - 89 0 -82.2 161.3 172.3 -109.4 43.4 132.6 0 0.0 56 -1.1 0 0.0 57 -0.8 13 58
54 A 54 ASP D H H > > TS+ 0 0 -54.8 -43.0 -176.3 50.1 121.4 20.4 89 -0.9 58 -3.0 0 0.0 57 -1.2 13 57
55 A 55 GLU E H H 4 3 TS+ 0 0 -80.4 -8.4 171.4 70.0 95.9 56.5 0 0.0 0 0.0 0 0.0 0 0.0 10 49
56 A 56 ASP D H H 4 < TS+ 0 0 -69.0 -31.4 -174.3 20.2 118.6 38.2 53 -1.1 0 0.0 0 0.0 0 0.0 9 49
57 A 57 LEU L H H < < TS+ 0 0 -106.2 -37.4 -173.3 36.3 133.4 38.5 54 -1.2 0 0.0 53 -0.8 0 0.0 10 56
58 A 58 ILE I S h < TS- 0 0 -129.8 106.1 -176.3 -137.8 78.3 157.9 54 -3.0 0 0.0 0 0.0 0 0.0 9 47
59 A 59 PRO P t > T - 0 0 -62.7 150.5 179.1 -85.3 40.4 104.3 0 0.0 62 -1.7 0 0.0 0 0.0 8 34
60 A 60 ARG R T T 3 TS+ 0 0 -56.7 131.3 176.4 23.2 114.8 107.7 0 0.0 0 0.0 0 0.0 0 0.0 5 33
61 A 61 GLY G T T 3 TS+ 0 0 91.7 1.4 174.7 154.2 79.1 60.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
62 A 62 THR T t < T - 0 0 -63.0 122.9 178.4 -113.9 50.7 120.6 59 -1.7 0 0.0 0 0.0 0 0.0 8 21
63 A 63 PRO P t > > T - 0 0 -63.1 140.2 -163.6 -114.1 25.6 111.6 0 0.0 67 -2.2 0 0.0 66 -1.3 6 17
64 A 64 PRO P T T 4 3 TS+ 0 0 -75.3 18.8 170.8 57.8 114.0 71.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
65 A 65 GLN Q T h > 3 TS+ 0 0 -108.6 -30.2 174.4 42.2 109.4 44.6 0 0.0 69 -0.8 0 0.0 0 0.0 6 16
66 A 66 GLU E H H > < TS+ 0 0 -80.6 -32.1 179.3 62.0 109.3 31.8 63 -1.3 70 -2.0 0 0.0 0 0.0 8 20
67 A 67 ARG R H H X TS+ 0 0 -57.4 -47.1 -175.6 46.9 103.1 23.6 63 -2.2 71 -2.6 0 0.0 0 0.0 10 30
68 A 68 ASP D H H > TS+ 0 0 -71.3 -27.8 173.9 55.6 109.3 38.0 0 0.0 72 -2.0 0 0.0 0 0.0 8 29
69 A 69 GLN Q H H X TS+ 0 0 -69.2 -37.0 177.4 47.3 109.3 30.1 65 -0.8 73 -1.7 0 0.0 0 0.0 8 23
70 A 70 ILE I H H X TS+ 0 0 -68.7 -49.2 179.4 50.8 110.7 20.0 66 -2.0 74 -2.5 0 0.0 0 0.0 10 35
71 A 71 VAL V H H X TS+ 0 0 -56.0 -43.7 -177.9 47.4 111.5 23.6 67 -2.6 75 -3.0 0 0.0 0 0.0 9 43
72 A 72 ARG R H H X TS+ 0 0 -70.7 -38.6 173.8 50.1 110.8 28.0 68 -2.0 76 -2.0 0 0.0 0 0.0 8 28
73 A 73 ARG R H H X TS+ 0 0 -61.2 -43.2 179.0 47.7 113.9 20.0 69 -1.7 77 -1.6 0 0.0 0 0.0 9 29
74 A 74 PHE F H H X TS+ 0 0 -65.3 -43.6 176.8 51.3 110.0 20.7 70 -2.5 78 -1.7 0 0.0 0 0.0 10 48
75 A 75 LYS K H H X TS+ 0 0 -62.5 -33.6 175.3 58.8 104.2 33.1 71 -3.0 79 -2.6 0 0.0 0 0.0 9 40
76 A 76 LYS K H H X TS+ 0 0 -58.4 -47.8 -179.7 48.6 105.8 18.6 72 -2.0 80 -3.0 0 0.0 0 0.0 8 30
77 A 77 ALA A H H X TS+ 0 0 -63.1 -37.3 177.9 50.3 110.5 30.1 73 -1.6 81 -2.4 0 0.0 0 0.0 11 36
78 A 78 LEU L H H X >TS+ 0 0 -66.8 -43.1 175.9 48.8 111.8 21.7 74 -1.7 82 -3.1 0 0.0 83 -0.5 11 44
79 A 79 ASP D H H < 5TS+ 0 0 -57.0 -50.3 -178.0 47.8 113.1 17.3 75 -2.6 0 0.0 0 0.0 0 0.0 8 27
80 A 80 GLU E H H < 5TS+ 0 0 -58.9 -42.6 -171.8 31.8 123.2 28.6 76 -3.0 0 0.0 0 0.0 0 0.0 6 27
81 A 81 THR T H H < 5TS- 0 0 -92.7 -25.5 -173.6 -127.8 97.6 44.1 77 -2.4 0 0.0 0 0.0 0 0.0 9 31
82 A 82 GLY G T h < 5T + 0 0 82.4 10.3 175.9 152.2 53.9 54.1 78 -3.1 0 0.0 0 0.0 0 0.0 7 36
83 A 83 LEU L t TS- 0 0 -55.8 130.6 178.7 -133.1 77.4 111.5 0 0.0 98 -1.9 0 0.0 0 0.0 7 37
96 A 96 PRO P G G > TS+ 0 0 -58.0 -22.3 178.7 73.2 102.2 44.2 0 0.0 99 -1.8 0 0.0 0 0.0 6 27
97 A 97 ALA A G G > TS+ 0 0 -61.1 -28.1 -178.0 58.9 91.7 30.7 0 0.0 100 -0.5 0 0.0 0 0.0 7 31
98 A 98 PHE F G G X T + 0 0 -86.4 16.8 -175.0 119.5 68.6 74.8 95 -1.9 101 -1.8 0 0.0 0 0.0 13 39
99 A 99 LYS K G G < TS+ 0 0 -59.1 -33.9 170.3 31.5 84.4 40.8 96 -1.8 0 0.0 0 0.0 0 0.0 9 36
100 A 100 ASP D G G < TS- 0 0 -115.9 54.8 178.6 -56.0 135.3 106.2 97 -0.5 0 0.0 0 0.0 0 0.0 12 48
101 A 101 GLY G g < T - 0 0 99.8 156.1 170.8 -132.7 37.0 91.8 98 -1.8 0 0.0 0 0.0 0 0.0 11 56
102 A 102 ALA A S t > TS+ 0 0 -104.4 -74.5 172.4 15.5 107.2 43.4 0 0.0 105 -1.1 0 0.0 0 0.0 16 54
103 A 103 PHE F T T 3 TS+ 0 0 -67.1 -21.1 -177.3 47.2 137.1 46.6 0 0.0 0 0.0 0 0.0 0 0.0 12 57
104 A 104 THR T T T 3 TS+ 0 0 -111.1 17.9 172.6 127.4 78.0 77.1 0 0.0 0 0.0 0 0.0 0 0.0 12 51
105 A 105 SER S t < T - 0 0 -68.0 139.2 177.7 -136.2 61.1 118.6 102 -1.1 0 0.0 0 0.0 0 0.0 12 48
106 A 106 PRO P S S S+ 0 0 -67.5 -20.6 -176.3 84.6 87.3 42.7 0 0.0 0 0.0 0 0.0 0 0.0 9 38
107 A 107 ASP D S h > > TS- 0 0 -89.2 119.3 -175.8 -152.6 71.4 136.5 0 0.0 111 -1.8 0 0.0 110 -0.8 6 28
108 A 108 PRO P H H > 3 TS+ 0 0 -68.3 -22.2 170.4 63.8 93.9 38.1 0 0.0 112 -2.4 0 0.0 0 0.0 7 27
109 A 109 TRP W H H > 3 TS+ 0 0 -61.7 -35.4 -179.2 45.4 106.6 25.3 0 0.0 113 -2.3 0 0.0 0 0.0 6 25
110 A 110 VAL V H H > < TS+ 0 0 -80.2 -37.8 170.7 50.9 110.1 25.6 107 -0.8 114 -2.9 0 0.0 0 0.0 13 34
111 A 111 ARG R H H X TS+ 0 0 -60.8 -35.9 175.9 50.4 112.3 25.0 107 -1.8 115 -2.0 0 0.0 0 0.0 13 44
112 A 112 ALA A H H X TS+ 0 0 -66.4 -45.4 176.2 48.9 109.9 22.3 108 -2.4 116 -3.0 0 0.0 0 0.0 8 34
113 A 113 TYR Y H H X TS+ 0 0 -58.2 -48.1 -179.6 50.1 111.4 20.4 109 -2.3 117 -3.0 0 0.0 0 0.0 9 42
114 A 114 ALA A H H X TS+ 0 0 -58.8 -44.6 175.7 47.0 112.3 30.1 110 -2.9 118 -1.3 0 0.0 0 0.0 11 52
115 A 115 LEU L H H X TS+ 0 0 -62.8 -44.1 178.5 48.8 113.4 20.0 111 -2.0 119 -2.2 0 0.0 0 0.0 11 50
116 A 116 ARG R H H X TS+ 0 0 -60.3 -50.4 -179.0 51.4 108.9 18.1 112 -3.0 120 -2.6 0 0.0 0 0.0 8 41
117 A 117 LYS K H H X TS+ 0 0 -56.2 -34.9 179.5 50.9 111.1 34.3 113 -3.0 121 -1.7 0 0.0 0 0.0 10 52
118 A 118 SER S H H X TS+ 0 0 -71.6 -45.7 174.5 50.7 106.9 24.4 114 -1.3 122 -2.3 0 0.0 0 0.0 11 58
119 A 119 LEU L H H X TS+ 0 0 -55.4 -43.3 177.4 51.6 111.3 15.7 115 -2.2 123 -2.4 0 0.0 0 0.0 10 49
120 A 120 GLU E H H X TS+ 0 0 -62.3 -39.1 176.1 48.9 108.6 30.4 116 -2.6 124 -2.5 0 0.0 0 0.0 8 50
121 A 121 THR T H H X TS+ 0 0 -70.9 -31.7 172.3 54.0 108.8 30.0 117 -1.7 125 -2.5 0 0.0 0 0.0 13 57
122 A 122 MET M H H X TS+ 0 0 -63.8 -44.5 173.6 48.0 109.5 23.0 118 -2.3 126 -2.0 0 0.0 0 0.0 12 56
123 A 123 ASP D H H X TS+ 0 0 -59.0 -48.4 176.4 49.8 111.8 18.1 119 -2.4 127 -1.8 0 0.0 0 0.0 8 46
124 A 124 LEU L H H X TS+ 0 0 -55.7 -46.9 -176.6 50.1 110.4 25.2 120 -2.5 128 -1.4 0 0.0 0 0.0 9 57
125 A 125 GLY G H H X >TS+ 0 0 -65.4 -37.5 175.5 56.6 105.1 29.3 121 -2.5 130 -2.8 0 0.0 129 -0.8 13 56
126 A 126 ALA A H H < >5TS+ 0 0 -58.0 -42.6 174.1 53.0 105.2 25.1 122 -2.0 129 -0.7 0 0.0 0 0.0 10 45
127 A 127 GLU E H H < 35TS+ 0 0 -56.3 -40.8 -174.8 43.6 113.2 33.2 123 -1.8 0 0.0 0 0.0 0 0.0 7 45
128 A 128 LEU L H H < 35TS- 0 0 -87.6 -9.5 178.9 -108.7 118.3 62.2 124 -1.4 0 0.0 0 0.0 0 0.0 8 51
129 A 129 GLY G T h < <5T + 0 0 91.2 19.1 179.5 168.0 55.7 47.6 125 -0.8 0 0.0 126 -0.7 0 0.0 9 40
130 A 130 ALA A t T + 0 0 -86.2 58.6 -170.2 151.6 36.3 104.0 0 0.0 140 -1.6 0 0.0 0 0.0 11 64
138 A 138 GLY G T T 3 TS+ 0 0 -65.4 -22.6 -175.8 38.4 74.7 42.8 136 -1.7 187 -0.7 0 0.0 0 0.0 12 53
139 A 139 ARG R T T 3 TS+ 0 0 -106.0 -3.5 -174.8 100.7 88.9 63.8 0 0.0 141 -1.5 0 0.0 0 0.0 14 51
140 A 140 GLU E e < T + 0 0 -91.6 82.5 -177.0 74.6 67.3 128.0 137 -1.6 191 -2.3 0 0.0 0 0.0 15 61
141 A 141 GLY G E E BF - 190 0 -164.0 -163.8 -175.5 -123.7 62.8 152.0 139 -1.5 0 0.0 0 0.0 0 0.0 15 47
142 A 142 ALA A E E BF - 189 0 -155.5 154.1 159.6 -176.0 24.4 168.1 189 -2.0 189 -1.2 0 0.0 0 0.0 11 39
143 A 143 GLU E S S S+ 0 0 -126.0 0.3 176.6 60.3 88.0 68.0 0 0.0 145 -0.6 0 0.0 0 0.0 7 27
144 A 144 VAL V g > T + 0 0 -129.3 102.2 -173.8 175.3 53.9 151.7 0 0.0 147 -0.8 0 0.0 0 0.0 5 26
145 A 145 GLU E G G > T + 0 0 -82.8 -10.4 -179.2 90.6 63.0 54.3 143 -0.6 148 -1.9 0 0.0 0 0.0 8 23
146 A 146 ALA A G G 3 TS+ 0 0 -62.6 -14.3 178.9 68.7 75.9 50.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
147 A 147 THR T G G < TS- 0 0 -72.5 -28.2 -174.4 -136.6 96.9 45.0 144 -0.8 0 0.0 0 0.0 0 0.0 5 18
148 A 148 GLY G g X T + 0 0 76.5 17.1 -174.6 137.4 59.9 52.2 145 -1.9 151 -1.4 0 0.0 0 0.0 7 20
149 A 149 LYS K G G > > T + 0 0 -71.5 -20.8 -179.8 79.5 49.1 47.8 0 0.0 152 -1.6 0 0.0 153 -1.4 8 31
150 A 150 ALA A G G 4 3 TS+ 0 0 -58.6 -23.7 176.8 55.6 91.0 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
151 A 151 ARG R G G 4 < TS+ 0 0 -77.3 -20.2 -170.3 44.1 111.0 45.6 148 -1.4 0 0.0 0 0.0 0 0.0 6 24
152 A 152 LYS K T h > < TS+ 0 0 -100.9 -24.0 -168.7 77.8 91.5 46.1 149 -1.6 156 -1.5 0 0.0 0 0.0 8 31
153 A 153 VAL V H H X TS+ 0 0 -68.0 -26.1 -176.5 62.2 84.2 39.3 149 -1.4 157 -2.5 0 0.0 0 0.0 9 43
154 A 154 TRP W H H > TS+ 0 0 -68.1 -44.0 175.7 43.3 108.1 16.2 0 0.0 158 -1.8 0 0.0 0 0.0 8 39
155 A 155 ASP D H H > TS+ 0 0 -64.4 -40.7 -178.6 53.5 113.1 27.0 0 0.0 159 -2.3 0 0.0 0 0.0 7 34
156 A 156 TRP W H H X TS+ 0 0 -63.6 -43.9 -178.9 42.2 111.9 22.0 152 -1.5 160 -1.9 0 0.0 0 0.0 10 43
157 A 157 VAL V H H X TS+ 0 0 -78.7 -21.8 171.8 55.4 112.3 36.0 153 -2.5 161 -2.0 0 0.0 0 0.0 10 62
158 A 158 ARG R H H X TS+ 0 0 -66.2 -48.5 -178.3 50.2 107.8 20.1 154 -1.8 162 -2.7 0 0.0 0 0.0 10 45
159 A 159 GLU E H H X TS+ 0 0 -58.0 -45.5 179.3 46.4 111.8 23.5 155 -2.3 163 -2.1 0 0.0 0 0.0 8 40
160 A 160 ALA A H H X TS+ 0 0 -63.1 -48.4 -172.5 45.4 115.3 14.9 156 -1.9 164 -2.5 0 0.0 0 0.0 10 55
161 A 161 LEU L H H X TS+ 0 0 -72.0 -34.9 172.1 51.1 111.6 34.3 157 -2.0 165 -2.1 0 0.0 0 0.0 9 61
162 A 162 ASN N H H X TS+ 0 0 -63.8 -40.8 178.1 49.9 111.3 20.4 158 -2.7 166 -2.3 0 0.0 0 0.0 11 44
163 A 163 PHE F H H X TS+ 0 0 -64.3 -40.7 179.7 49.5 110.8 18.7 159 -2.1 167 -2.5 0 0.0 0 0.0 8 42
164 A 164 MET M H H X TS+ 0 0 -66.1 -44.9 178.9 46.4 112.2 30.3 160 -2.5 168 -1.9 0 0.0 0 0.0 11 55
165 A 165 ALA A H H X TS+ 0 0 -68.4 -35.0 175.1 48.9 113.1 29.9 161 -2.1 169 -1.7 0 0.0 0 0.0 10 47
166 A 166 ALA A H H X TS+ 0 0 -67.7 -39.3 178.5 53.6 109.7 25.9 162 -2.3 170 -3.0 0 0.0 0 0.0 8 33
167 A 167 TYR Y H H X TS+ 0 0 -60.8 -42.8 176.9 48.6 108.8 24.7 163 -2.5 171 -2.0 0 0.0 0 0.0 9 35
168 A 168 ALA A H H X >TS+ 0 0 -64.2 -41.8 176.2 49.5 111.3 32.2 164 -1.9 173 -2.0 0 0.0 172 -0.8 12 43
169 A 169 GLU E H H < >5TS+ 0 0 -58.1 -50.4 -177.6 48.4 112.7 14.4 165 -1.7 172 -1.1 0 0.0 0 0.0 9 28
170 A 170 ASP D H H < 35TS+ 0 0 -61.4 -36.0 -178.3 44.5 114.6 36.0 166 -3.0 0 0.0 0 0.0 0 0.0 7 19
171 A 171 GLN Q H H < 35TS- 0 0 -85.1 -15.2 -176.3 -116.8 111.2 58.1 167 -2.0 0 0.0 0 0.0 0 0.0 6 25
172 A 172 GLY G T h < <5T + 0 0 82.5 17.5 173.2 155.2 59.6 47.4 169 -1.1 0 0.0 168 -0.8 0 0.0 6 24
173 A 173 TYR Y t TS- 0 0 -138.2 159.9 171.3 -106.9 77.4 151.1 0 0.0 198 -1.6 0 0.0 0 0.0 10 52
195 A 195 VAL V H H > TS+ 0 0 -51.0 -44.6 178.1 52.8 122.3 19.8 0 0.0 199 -2.3 0 0.0 0 0.0 14 58
196 A 196 GLY G H H > TS+ 0 0 -60.8 -42.8 180.0 55.3 103.7 26.0 0 0.0 200 -2.8 0 0.0 0 0.0 7 45
197 A 197 SER S H H > TS+ 0 0 -59.7 -37.2 -179.9 44.3 111.5 32.4 0 0.0 201 -1.2 0 0.0 0 0.0 10 48
198 A 198 MET M H H X TS+ 0 0 -75.5 -39.9 175.3 52.8 111.5 32.2 194 -1.6 202 -2.2 0 0.0 0 0.0 14 56
199 A 199 LEU L H H X TS+ 0 0 -57.8 -44.4 -178.6 48.4 109.6 22.6 195 -2.3 203 -1.2 0 0.0 0 0.0 11 49
200 A 200 ALA A H H < TS+ 0 0 -64.1 -38.3 -177.8 52.7 111.3 30.5 196 -2.8 0 0.0 0 0.0 0 0.0 8 36
201 A 201 PHE F H H < > TS+ 0 0 -63.4 -48.3 -178.2 58.8 100.6 24.9 197 -1.2 204 -1.8 0 0.0 0 0.0 8 44
202 A 202 ILE I H H < > TS+ 0 0 -55.4 -35.6 179.1 62.6 96.5 34.3 198 -2.2 205 -1.6 0 0.0 0 0.0 10 49
203 A 203 HIS H T h < 3 TS+ 0 0 -67.1 -15.9 176.1 55.6 100.1 41.4 199 -1.2 0 0.0 0 0.0 0 0.0 7 32
204 A 204 THR T T T < TS+ 0 0 -91.7 -4.5 -179.7 99.1 88.8 61.0 201 -1.8 0 0.0 0 0.0 0 0.0 8 30
205 A 205 LEU L S t < TS- 0 0 -81.8 162.3 -176.7 -120.1 79.9 115.8 202 -1.6 0 0.0 0 0.0 0 0.0 10 35
206 A 206 ASP D S S S+ 0 0 -70.3 -38.4 -178.4 28.3 109.9 35.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
207 A 207 ARG R S g > TS+ 0 0 -124.0 73.6 -171.5 168.2 70.5 130.5 0 0.0 210 -1.8 0 0.0 0 0.0 8 34
208 A 208 PRO P G G > T + 0 0 -60.0 -26.7 -170.8 69.8 69.7 44.1 0 0.0 211 -1.5 0 0.0 0 0.0 9 38
209 A 209 GLU E G G 3 TS+ 0 0 -72.2 -16.0 177.9 55.9 93.2 43.8 0 0.0 0 0.0 0 0.0 0 0.0 5 36
210 A 210 ARG R G e < TS+ 0 0 -87.8 -5.1 -171.4 79.1 100.2 61.6 207 -1.8 177 -3.2 0 0.0 0 0.0 9 45
211 A 211 PHE F E E Ag < T + 177 0 -117.7 138.8 -179.0 140.5 49.5 152.4 208 -1.5 0 0.0 0 0.0 0 0.0 12 58
212 A 212 GLY G E E Ag - 178 0 -150.2 -159.1 -172.4 -71.2 41.5 138.5 177 -2.8 179 -2.8 0 0.0 0 0.0 14 60
213 A 213 LEU L E E Agc - 179 240 -117.3 145.5 161.6 -168.9 12.7 142.0 239 -3.8 241 -1.5 0 0.0 242 -1.5 17 66
214 A 214 ASN N e - 0 0 -119.7 82.2 174.8 -172.2 26.2 142.5 179 -3.1 0 0.0 0 0.0 0 0.0 14 71
215 A 215 PRO P - 0 0 -69.7 142.3 172.4 -152.8 8.5 123.8 0 0.0 244 -2.8 0 0.0 0 0.0 15 73
216 A 216 GLU E B h > d > T - 244 0 -117.2 132.7 -177.3 -137.2 14.3 167.7 0 0.0 220 -1.4 0 0.0 219 -0.6 13 79
217 A 217 PHE F H H > 3 TS+ 0 0 -49.8 -47.1 -171.9 48.9 103.2 26.9 244 -2.3 221 -1.9 0 0.0 0 0.0 12 69
218 A 218 ALA A H H > 3 TS+ 0 0 -69.6 -32.7 -177.9 59.8 103.7 37.3 0 0.0 222 -2.1 0 0.0 0 0.0 13 57
219 A 219 HIS H H H > < TS+ 0 0 -63.4 -53.8 179.8 38.7 110.5 12.7 216 -0.6 223 -0.8 0 0.0 0 0.0 12 61
220 A 220 GLU E H H < >>TS+ 0 0 -63.3 -38.7 -178.3 53.7 116.3 20.9 216 -1.4 225 -2.2 0 0.0 223 -1.0 16 59
221 A 221 THR T H H < >5TS+ 0 0 -68.4 -29.6 175.4 65.4 96.7 37.2 217 -1.9 224 -1.4 0 0.0 251 -0.8 14 49
222 A 222 MET M H H < 35TS+ 0 0 -55.7 -42.0 -176.5 43.4 106.6 35.3 218 -2.1 251 -0.7 0 0.0 0 0.0 15 42
223 A 223 ALA A T h < <5TS- 0 0 -86.4 2.0 -179.6 -111.9 121.4 66.0 220 -1.0 0 0.0 219 -0.8 0 0.0 9 40
224 A 224 GLY G T T <5TS+ 0 0 76.5 14.0 178.7 143.1 70.4 51.2 221 -1.4 0 0.0 0 0.0 0 0.0 8 32
225 A 225 LEU L t T - 0 0 -95.6 110.0 -173.0 -165.2 26.7 142.8 0 0.0 230 -1.6 0 0.0 0 0.0 8 41
227 A 227 PHE F H H > TS+ 0 0 -66.4 -37.4 176.1 57.4 86.5 29.0 225 -0.8 231 -2.7 0 0.0 0 0.0 10 55
228 A 228 VAL V H H > TS+ 0 0 -58.4 -43.8 176.2 47.7 108.0 23.1 0 0.0 232 -2.3 0 0.0 0 0.0 10 49
229 A 229 HIS H H H > TS+ 0 0 -62.9 -42.6 -178.1 49.6 112.6 31.9 0 0.0 233 -1.7 0 0.0 0 0.0 7 38
230 A 230 ALA A H H X TS+ 0 0 -65.9 -41.4 178.1 46.3 112.6 21.7 226 -1.6 234 -2.1 0 0.0 0 0.0 10 53
231 A 231 VAL V H H X TS+ 0 0 -68.7 -38.9 175.9 55.8 108.7 24.6 227 -2.7 235 -3.0 0 0.0 0 0.0 11 57
232 A 232 ALA A H H X TS+ 0 0 -61.7 -33.5 175.6 48.6 108.4 25.8 228 -2.3 236 -2.7 0 0.0 0 0.0 9 42
233 A 233 GLN Q H H X TS+ 0 0 -71.3 -40.0 176.6 50.1 110.8 26.1 229 -1.7 237 -1.4 0 0.0 0 0.0 8 37
234 A 234 ALA A H H < >TS+ 0 0 -59.2 -44.5 179.8 46.8 113.4 19.4 230 -2.1 239 -2.5 0 0.0 0 0.0 13 50
235 A 235 LEU L H H < >5TS+ 0 0 -65.3 -46.0 174.3 54.7 108.1 24.8 231 -3.0 238 -1.4 0 0.0 0 0.0 10 38
236 A 236 ASP D H H < 35TS+ 0 0 -52.7 -35.8 -175.1 47.3 110.3 33.5 232 -2.7 0 0.0 0 0.0 0 0.0 7 26
237 A 237 ALA A T h < 35TS- 0 0 -87.0 -5.2 -176.2 -120.9 112.3 58.9 233 -1.4 0 0.0 0 0.0 0 0.0 6 34
238 A 238 GLY G T T <5TS+ 0 0 69.4 32.8 -169.6 117.3 80.4 36.4 235 -1.4 0 0.0 0 0.0 0 0.0 6 39
239 A 239 LYS K t T - 0 0 -51.5 136.8 179.8 -90.1 65.1 109.3 0 0.0 261 -1.7 0 0.0 0 0.0 15 53
259 A 259 PHE F T T 3 TS+ 0 0 -55.7 131.1 172.5 7.1 107.2 105.1 0 0.0 0 0.0 0 0.0 0 0.0 15 59
260 A 260 GLY G T T 3 TS+ 0 0 81.6 5.3 -172.4 117.1 93.8 63.9 0 0.0 0 0.0 0 0.0 0 0.0 13 53
261 A 261 SER S S t < TS+ 0 0 -82.1 -28.4 179.1 14.1 86.1 45.7 258 -1.7 0 0.0 0 0.0 0 0.0 8 44
262 A 262 GLU E S S S+ 0 0 -108.3 -50.6 -170.4 41.7 128.6 44.9 0 0.0 264 -0.7 0 0.0 0 0.0 8 40
263 A 263 ASN N h > T + 0 0 -108.7 70.3 -174.5 164.2 62.1 128.7 0 0.0 267 -2.5 0 0.0 0 0.0 9 42
264 A 264 LEU L H H > TS+ 0 0 -54.4 -51.9 -173.9 49.2 73.4 33.0 262 -0.7 268 -2.6 0 0.0 0 0.0 8 46
265 A 265 LYS K H H > TS+ 0 0 -61.4 -41.0 -179.1 46.5 113.1 27.0 0 0.0 269 -2.1 0 0.0 0 0.0 8 43
266 A 266 ALA A H H > TS+ 0 0 -70.3 -38.9 172.2 50.7 112.7 23.1 0 0.0 270 -2.0 0 0.0 0 0.0 8 49
267 A 267 ALA A H H X TS+ 0 0 -58.1 -47.3 174.9 54.7 108.3 25.1 263 -2.5 271 -2.5 0 0.0 0 0.0 11 59
268 A 268 PHE F H H X TS+ 0 0 -50.1 -51.1 -174.7 42.0 111.4 20.3 264 -2.6 272 -2.2 0 0.0 0 0.0 13 51
269 A 269 PHE F H H X TS+ 0 0 -79.8 -18.6 173.0 55.9 111.4 38.9 265 -2.1 273 -2.0 0 0.0 0 0.0 10 49
270 A 270 LEU L H H X TS+ 0 0 -71.7 -48.4 176.7 45.7 109.3 20.3 266 -2.0 274 -2.6 0 0.0 0 0.0 10 62
271 A 271 VAL V H H X TS+ 0 0 -58.7 -43.5 177.3 51.9 112.6 20.2 267 -2.5 275 -2.9 0 0.0 0 0.0 12 63
272 A 272 ASP D H H X TS+ 0 0 -58.9 -40.7 -178.4 48.2 111.1 19.4 268 -2.2 276 -2.4 0 0.0 0 0.0 12 42
273 A 273 LEU L H H X TS+ 0 0 -69.3 -44.5 177.2 43.3 114.6 27.3 269 -2.0 277 -0.8 0 0.0 0 0.0 10 44
274 A 274 LEU L H H < >TS+ 0 0 -64.7 -48.0 -174.7 47.4 116.8 20.6 270 -2.6 279 -1.6 0 0.0 0 0.0 9 52
275 A 275 GLU E H H < >5TS+ 0 0 -66.5 -37.4 -177.8 43.2 115.0 27.8 271 -2.9 278 -0.6 0 0.0 0 0.0 9 40
276 A 276 SER S H H < 35TS+ 0 0 -87.7 -5.7 178.2 60.9 108.4 54.4 272 -2.4 0 0.0 0 0.0 0 0.0 7 31
277 A 277 SER S T h < 35TS- 0 0 -91.5 -11.6 -173.6 -118.7 107.9 58.0 273 -0.8 0 0.0 0 0.0 0 0.0 7 33
278 A 278 GLY G T T <5T + 0 0 72.0 31.1 173.3 177.2 45.1 32.8 275 -0.6 0 0.0 0 0.0 0 0.0 6 30
279 A 279 TYR Y t T - 0 0 -57.5 145.5 177.6 -116.6 35.9 107.7 0 0.0 293 -1.8 0 0.0 0 0.0 7 44
291 A 291 ARG R T T 3 TS+ 0 0 -61.6 -11.7 179.0 70.1 112.6 53.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
292 A 292 THR T T T 3 TS+ 0 0 -82.7 3.5 -168.6 97.8 86.1 65.2 0 0.0 0 0.0 0 0.0 0 0.0 4 28
293 A 293 GLU E t < T - 0 0 -105.4 142.2 166.2 -152.4 58.2 133.1 290 -1.8 0 0.0 0 0.0 0 0.0 9 32
294 A 294 ASP D h > T - 0 0 -86.1 -169.2 -175.1 -77.9 53.8 99.3 0 0.0 298 -1.3 0 0.0 0 0.0 8 27
295 A 295 GLU E H H > TS+ 0 0 -67.8 -29.0 177.3 57.7 131.7 31.6 0 0.0 299 -1.4 0 0.0 0 0.0 7 32
296 A 296 GLU E H H > TS+ 0 0 -65.2 -36.8 179.6 52.4 104.5 28.5 0 0.0 300 -1.6 0 0.0 0 0.0 7 31
297 A 297 GLY G H H > TS+ 0 0 -71.1 -25.4 172.0 62.3 101.3 35.8 0 0.0 301 -2.5 0 0.0 0 0.0 9 31
298 A 298 VAL V H H X TS+ 0 0 -60.7 -45.6 178.6 43.0 106.5 23.1 294 -1.3 302 -2.3 0 0.0 0 0.0 12 48
299 A 299 TRP W H H X TS+ 0 0 -75.9 -23.4 171.2 55.3 111.3 32.5 295 -1.4 303 -2.6 0 0.0 0 0.0 9 48
300 A 300 ALA A H H X TS+ 0 0 -67.4 -43.4 172.4 50.1 108.4 24.7 296 -1.6 304 -2.1 0 0.0 0 0.0 8 39
301 A 301 PHE F H H X TS+ 0 0 -54.2 -54.5 -177.3 47.4 111.4 21.5 297 -2.5 305 -1.4 0 0.0 0 0.0 11 54
302 A 302 ALA A H H X TS+ 0 0 -59.2 -45.1 178.9 47.5 113.2 20.3 298 -2.3 306 -1.4 0 0.0 0 0.0 11 63
303 A 303 ARG R H H X TS+ 0 0 -62.4 -40.8 -175.9 53.9 109.4 30.4 299 -2.6 307 -2.3 0 0.0 0 0.0 9 52
304 A 304 GLY G H H X TS+ 0 0 -66.0 -32.7 -177.3 58.3 102.0 36.1 300 -2.1 308 -2.5 0 0.0 0 0.0 10 51
305 A 305 CYS C H H X TS+ 0 0 -61.4 -49.1 -174.6 37.6 113.7 18.7 301 -1.4 309 -1.8 0 0.0 0 0.0 13 62
306 A 306 MET M H H X TS+ 0 0 -74.0 -36.7 -178.5 52.0 116.5 27.3 302 -1.4 310 -1.9 0 0.0 0 0.0 10 58
307 A 307 ARG R H H X TS+ 0 0 -67.3 -45.0 176.9 49.2 109.1 22.4 303 -2.3 311 -2.3 0 0.0 0 0.0 11 42
308 A 308 THR T H H X TS+ 0 0 -61.8 -41.3 177.4 52.9 109.3 21.2 304 -2.5 312 -2.5 0 0.0 0 0.0 10 50
309 A 309 TYR Y H H X TS+ 0 0 -60.5 -39.3 -175.2 46.5 111.4 23.4 305 -1.8 313 -2.0 0 0.0 0 0.0 11 61
310 A 310 LEU L H H X TS+ 0 0 -77.5 -32.9 174.6 51.4 110.0 32.2 306 -1.9 314 -1.9 0 0.0 0 0.0 11 48
311 A 311 ILE I H H X TS+ 0 0 -64.6 -41.3 -178.3 46.9 113.3 17.6 307 -2.3 315 -2.2 0 0.0 0 0.0 9 40
312 A 312 LEU L H H X TS+ 0 0 -71.3 -34.3 177.9 54.0 108.9 33.6 308 -2.5 316 -2.2 0 0.0 0 0.0 12 51
313 A 313 LYS K H H X TS+ 0 0 -65.0 -46.2 177.5 45.0 111.4 21.8 309 -2.0 317 -1.7 0 0.0 0 0.0 12 50
314 A 314 GLU E H H X TS+ 0 0 -62.1 -45.2 -177.4 49.6 113.7 25.2 310 -1.9 318 -1.8 0 0.0 0 0.0 8 38
315 A 315 ARG R H H X TS+ 0 0 -66.0 -36.1 177.8 54.9 107.4 29.9 311 -2.2 319 -2.1 0 0.0 0 0.0 10 43
316 A 316 ALA A H H X TS+ 0 0 -65.8 -36.3 175.8 50.9 106.8 26.8 312 -2.2 320 -2.1 0 0.0 0 0.0 12 45
317 A 317 GLU E H H X TS+ 0 0 -64.5 -43.5 -178.5 47.3 111.6 23.4 313 -1.7 321 -0.9 0 0.0 0 0.0 9 34
318 A 318 ALA A H H < TS+ 0 0 -68.2 -35.8 177.8 53.8 110.1 34.8 314 -1.8 0 0.0 0 0.0 0 0.0 9 33
319 A 319 PHE F H H < > TS+ 0 0 -62.4 -48.2 -176.6 52.7 105.4 18.9 315 -2.1 322 -1.5 0 0.0 0 0.0 10 42
320 A 320 ARG R H H < 3 TS+ 0 0 -64.9 -19.8 179.6 48.3 110.6 44.0 316 -2.1 0 0.0 0 0.0 0 0.0 8 37
321 A 321 GLU E T h < 3 TS+ 0 0 -103.5 3.4 175.1 121.3 77.5 66.0 317 -0.9 0 0.0 0 0.0 0 0.0 8 25
322 A 322 ASP D h > < T - 0 0 -65.3 130.0 -177.2 -138.0 63.1 117.9 319 -1.5 326 -2.1 0 0.0 0 0.0 8 30
323 A 323 PRO P H H > TS+ 0 0 -62.2 -35.5 178.3 50.2 101.2 30.6 0 0.0 327 -1.9 0 0.0 0 0.0 6 22
324 A 324 GLU E H H > TS+ 0 0 -71.2 -36.5 175.6 51.3 110.0 29.3 0 0.0 328 -2.5 0 0.0 0 0.0 6 28
325 A 325 VAL V H H > TS+ 0 0 -63.4 -43.0 -178.7 49.1 110.2 19.7 0 0.0 329 -2.7 0 0.0 0 0.0 12 34
326 A 326 LYS K H H X TS+ 0 0 -65.8 -35.9 179.8 49.3 112.1 25.4 322 -2.1 330 -2.0 0 0.0 0 0.0 10 27
327 A 327 GLU E H H X TS+ 0 0 -70.3 -41.2 178.3 48.1 111.5 25.5 323 -1.9 331 -1.7 0 0.0 0 0.0 8 23
328 A 328 LEU L H H X TS+ 0 0 -65.4 -40.9 -177.1 46.7 114.0 19.5 324 -2.5 332 -2.4 0 0.0 0 0.0 10 28
329 A 329 LEU L H H X TS+ 0 0 -73.5 -32.4 176.9 56.5 107.3 36.0 325 -2.7 333 -2.2 0 0.0 0 0.0 8 27
330 A 330 ALA A H H < TS+ 0 0 -65.2 -42.4 173.3 41.3 112.8 24.1 326 -2.0 0 0.0 0 0.0 0 0.0 8 21
331 A 331 ALA A H H < > TS+ 0 0 -68.8 -37.3 178.3 57.7 111.9 27.2 327 -1.7 334 -1.2 0 0.0 0 0.0 7 21
332 A 332 TYR Y H H < 3 TS+ 0 0 -57.2 -41.9 -173.3 37.1 114.1 24.6 328 -2.4 0 0.0 0 0.0 0 0.0 8 22
333 A 333 TYR Y T h < 3 TS+ 0 0 -102.7 13.8 174.1 151.9 81.2 77.0 329 -2.2 0 0.0 0 0.0 0 0.0 6 21
334 A 334 GLN Q t < T - 0 0 -43.6 126.1 -175.9 -159.2 28.8 101.1 331 -1.2 336 -0.5 0 0.0 0 0.0 6 20
335 A 335 GLU E - 0 0 -126.9 108.2 168.7 -148.8 11.0 160.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
336 A 336 ASP D h > > T - 0 0 -65.5 122.1 175.8 -148.2 8.9 133.2 334 -0.5 340 -2.4 0 0.0 339 -0.9 6 21
337 A 337 PRO P H H > 3 TS+ 0 0 -61.6 -32.7 175.2 59.0 100.2 35.5 0 0.0 341 -1.6 0 0.0 0 0.0 6 15
338 A 338 ALA A H H 4 3 TS+ 0 0 -62.6 -38.6 177.8 43.3 109.3 32.7 0 0.0 0 0.0 0 0.0 0 0.0 6 18
339 A 339 ALA A H H 4 X TS+ 0 0 -70.6 -44.5 -176.4 56.8 109.4 24.5 336 -0.9 342 -1.9 0 0.0 0 0.0 8 25
340 A 340 LEU L H H < > TS+ 0 0 -59.2 -29.1 -176.9 63.6 97.7 37.5 336 -2.4 343 -1.3 0 0.0 0 0.0 9 22
341 A 341 ALA A T h < 3 TS+ 0 0 -73.8 -15.5 176.4 54.3 98.5 51.8 337 -1.6 0 0.0 0 0.0 0 0.0 7 24
342 A 342 LEU L T T < TS+ 0 0 -89.9 -8.7 -174.5 64.3 107.0 60.0 339 -1.9 0 0.0 0 0.0 0 0.0 10 25
343 A 343 LEU L S t < TS+ 0 0 -110.2 177.1 179.2 56.5 70.8 118.9 340 -1.3 0 0.0 0 0.0 0 0.0 8 23
344 A 344 GLY G S S S+ 0 0 102.3 -159.7 -178.0 12.0 91.9 130.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
345 A 345 PRO P S S S- 0 0 -58.1 143.1 -177.0 -93.1 89.7 100.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
346 A 346 TYR Y + 0 0 -60.6 145.2 -177.4 163.1 49.7 109.7 0 0.0 0 0.0 0 0.0 0 0.0 7 15
347 A 347 SER S - 0 0 -123.6 -55.6 -161.3 -138.7 38.0 39.0 0 0.0 0 0.0 0 0.0 0 0.0 6 15
348 A 348 ARG R S h > TS+ 0 0 99.1 -49.4 169.2 61.6 109.0 120.6 0 0.0 352 -2.1 0 0.0 0 0.0 6 16
349 A 349 GLU E H H > TS+ 0 0 -70.1 -30.5 171.4 44.8 106.7 34.3 0 0.0 353 -2.1 0 0.0 0 0.0 6 16
350 A 350 LYS K H H > TS+ 0 0 -72.4 -42.3 -177.5 53.8 110.7 28.3 0 0.0 354 -3.1 0 0.0 0 0.0 10 20
351 A 351 ALA A H H > TS+ 0 0 -61.4 -35.9 -179.9 43.7 113.3 25.4 0 0.0 355 -1.9 0 0.0 0 0.0 10 19
352 A 352 GLU E H H X TS+ 0 0 -76.2 -45.7 176.9 47.0 114.8 22.1 348 -2.1 356 -0.8 0 0.0 0 0.0 8 18
353 A 353 ALA A H H X TS+ 0 0 -61.1 -41.2 -179.2 52.1 112.4 29.7 349 -2.1 357 -0.5 0 0.0 0 0.0 9 21
354 A 354 LEU L H H < > TS+ 0 0 -62.0 -45.5 -177.9 54.8 104.9 19.8 350 -3.1 357 -1.2 0 0.0 0 0.0 8 24
355 A 355 LYS K H H < 3 TS+ 0 0 -66.1 -16.4 179.9 32.9 119.4 46.7 351 -1.9 0 0.0 0 0.0 0 0.0 6 19
356 A 356 ARG R H H < 3 TS+ 0 0 -126.4 15.6 175.7 123.7 88.5 72.6 352 -0.8 0 0.0 0 0.0 0 0.0 6 18
357 A 357 ALA A h < < T - 0 0 -71.1 159.6 -179.1 -114.5 68.4 103.1 354 -1.2 359 -1.0 353 -0.5 0 0.0 6 21
358 A 358 GLU E - 0 0 -98.4 90.8 -172.9 -162.1 37.8 145.0 0 0.0 0 0.0 0 0.0 0 0.0 4 20
359 A 359 LEU L - 0 0 -83.8 132.2 -179.0 -130.5 22.0 131.0 357 -1.0 361 -2.6 0 0.0 0 0.0 4 24
360 A 360 PRO P h > T + 0 0 -74.2 54.3 -173.0 154.9 48.6 105.1 0 0.0 364 -1.7 0 0.0 0 0.0 6 20
361 A 361 LEU L H H > T + 0 0 -54.9 -43.2 -175.8 54.2 63.6 29.6 359 -2.6 365 -2.5 0 0.0 0 0.0 6 16
362 A 362 GLU E H H > TS+ 0 0 -63.9 -37.8 177.4 48.6 108.6 25.8 0 0.0 366 -0.9 0 0.0 0 0.0 6 10
363 A 363 ALA A H H > TS+ 0 0 -66.9 -38.4 -177.9 48.1 113.3 28.6 0 0.0 367 -0.6 0 0.0 0 0.0 7 14
364 A 364 LYS K H H < TS+ 0 0 -73.7 -34.4 178.1 56.9 105.5 32.6 360 -1.7 0 0.0 0 0.0 0 0.0 7 19
365 A 365 ARG R H H < TS+ 0 0 -67.5 -19.2 -177.4 41.1 114.4 38.5 361 -2.5 0 0.0 0 0.0 0 0.0 6 10
366 A 366 ARG R H H < TS+ 0 0 -106.5 -8.7 179.9 120.0 86.8 60.2 362 -0.9 0 0.0 0 0.0 0 0.0 6 11
367 A 367 ARG R h < T - 0 0 -58.4 132.2 168.3 -151.2 50.6 110.7 363 -0.6 0 0.0 0 0.0 0 0.0 6 19
368 A 368 GLY G - 0 0 -101.2 134.0 -177.7 -154.7 3.0 157.2 0 0.0 0 0.0 0 0.0 0 0.0 4 21
369 A 369 TYR Y - 0 0 -88.8 1.3 177.2 -134.9 24.4 59.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
370 A 370 ALA A h > T + 0 0 52.2 36.9 -177.8 140.9 57.4 38.1 0 0.0 374 -1.8 0 0.0 0 0.0 8 24
371 A 371 LEU L H H > T + 0 0 -83.2 -18.4 177.8 61.1 63.0 44.8 0 0.0 375 -2.4 0 0.0 0 0.0 6 23
372 A 372 GLU E H H > TS+ 0 0 -73.4 -39.3 176.1 43.8 108.8 19.6 0 0.0 376 -2.4 0 0.0 0 0.0 6 18
373 A 373 ARG R H H > TS+ 0 0 -68.8 -45.3 176.6 48.9 114.7 22.7 0 0.0 377 -2.0 0 0.0 0 0.0 7 25
374 A 374 LEU L H H X TS+ 0 0 -60.7 -45.3 176.7 48.8 112.2 24.0 370 -1.8 378 -1.9 0 0.0 0 0.0 10 33
375 A 375 ASP D H H X TS+ 0 0 -61.9 -43.0 176.9 52.1 109.3 24.7 371 -2.4 379 -2.6 0 0.0 0 0.0 8 33
376 A 376 GLN Q H H X TS+ 0 0 -60.8 -38.0 176.9 51.9 108.6 25.6 372 -2.4 380 -2.3 0 0.0 0 0.0 8 24
377 A 377 LEU L H H X TS+ 0 0 -63.2 -42.4 177.9 50.7 108.4 26.4 373 -2.0 381 -2.2 0 0.0 0 0.0 9 35
378 A 378 ALA A H H X TS+ 0 0 -61.4 -45.0 176.5 49.3 110.4 18.4 374 -1.9 382 -2.6 0 0.0 0 0.0 9 44
379 A 379 VAL V H H X TS+ 0 0 -61.5 -38.0 179.9 50.7 110.4 27.5 375 -2.6 383 -1.9 0 0.0 0 0.0 9 32
380 A 380 GLU E H H < >TS+ 0 0 -74.8 -29.0 166.7 50.2 109.6 32.4 376 -2.3 385 -2.6 0 0.0 386 -1.2 10 29
381 A 381 TYR Y H H < >5TS+ 0 0 -64.0 -51.4 175.2 50.0 110.4 20.3 377 -2.2 384 -1.1 0 0.0 0 0.0 12 37
382 A 382 LEU L H H < 35TS+ 0 0 -51.0 -43.1 -176.8 50.7 110.1 30.2 378 -2.6 0 0.0 0 0.0 0 0.0 10 41
383 A 383 LEU L T h < 35TS- 0 0 -77.9 -7.7 175.6 -123.6 112.6 51.8 379 -1.9 0 0.0 0 0.0 0 0.0 7 27
384 A 384 GLY G T T <5TS+ 0 0 75.5 21.9 -177.9 123.9 77.5 42.9 381 -1.1 0 0.0 0 0.0 0 0.0 7 25
385 A 385 VAL V t 5555< >5555< 5-turns
3-turns >>3<< >33X33< >33< >33< >>3<< >33<>33< >>>X<< 3-turns
bridge-2 bbb b dd bridge-2
bridge-1 aa A A bbbcc b cc bridge-1
sheets AAAA AAAAA AAA sheets
4-turns >>44<< >>>>XXXXX<<<< >>44<< >4>>X>XXXXXXXXXX<<<< 4-turns
summary gGGGeEEEEHHHHht BTTB S hHHHHHHHHHHHhtSEEEEEHHHHhtTTttThHHHHHHHHHHHHHHHHhtB eEEE SSgGGGGG summary
sequence MYEPKPEHRFTFGLWTVGNVGRDPFGDAVRERLDPVYVVHKLAELGAYGVNLHDEDLIPRGTPPQERDQIVRRFKKALDETGLKVPMVTANLFSDPAFKD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand STT SSHHHHHHHHHHHHHHHHHHHHHT EEEE TT EES GGG GGGTHHHHHHHHHHHHHHHHHHHT EEEE SSSSSSEESS SHHHHHH Kabs/Sand
chirality -+++-+-++++++++++++++++++++-+-+-----++++--++++-+++++++++++++++++++++++-+-+------+--+++----+++-++++++ chirality
bends SSS SSSSSSSSSSSSSSSSSSSSSSS SS S SS SSSSSSSSSSSSSSSSSSSSSS SSSSSSS SS SSSSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns <>33< >33< >33< >33< >>33<< >33< 3-turns
bridge-2 eeee ggg bridge-2
bridge-1 dd FF eeee FF bridge-1
sheets AAAA BB AAAA BB sheets
4-turns >>>>XXXXXXXXXXXXXXX<<<< >44>X>>XXXXXXXXXXXXX<<<< >>>>XX< 4-turns
summary gtTTtShHHHHHHHHHHHHHHHHHHHHHhteEEEE tTTeEESgGGGgGGGhHHHHHHHHHHHHHHHHHHHht EEEEe SSSSSSEEeS hHHHHHH summary
sequence GAFTSPDPWVRAYALRKSLETMDLGAELGAEIYVVWPGREGAEVEATGKARKVWDWVREALNFMAAYAEDQGYGYRFALEPKPNEPRGDIYFATVGSMLA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHTTSSSGGGEEE BHHHHHHTT HHHHHHHHHHTT B EE B SSSS B TTSS HHHHHHHHHHHHHTT S EE TT HHHHHH Kabs/Sand
chirality ++++-++++++-----++++++-+--++++++++++-+++----+-+--++-------++++++++++++++++++-+-+-----+----++--++++++ chirality
bends SSSSSSS SS SSSSSSSS SSSSSSSSSSSS SSSS SSSS SSSSSSSSSSSSSS S SS SSSSSS bends
turns TTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33<>>3<< >33< >33< >33< >33< 3-turns
bridge-2 c d hh bridge-2
bridge-1 ggg d c hh E E aa bridge-1
sheets AAA AA AA sheets
4-turns <<< >>>><<<< >>>>XXXX<<<< >>>>XXXXXXX<<<< >>>>XXX 4-turns
summary HHhTtSgGGeEEEe hHHHHHHhTthHHHHHHHHHHhTtB EEe B SSSS BtTTtShHHHHHHHHHHHHHhTt SeEEe tTTthHHHHHH summary
sequence FIHTLDRPERFGLNPEFAHETMAGLNFVHAVAQALDAGKLFHIDLNDQRMSRFDQDLRFGSENLKAAFFLVDLLESSGYQGPRHFDAHALRTEDEEGVWA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHT HHHHHHHHHHT HHHHTTSSS SHHHHHHHH HHHHHH HHHHHHHHHHHHTT Kabs/Sand
chirality +++++++++++++++++++++-+++++++++++---++++++++-+-+++++++++---+++++++---+++++++++++++-++ chirality
bends SSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSS SSSSSSSSS SSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33X>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXXXXXXXXX<<<<>>>>XXXX<<<< >>44<< >>>>XX<<<< >>>><<<< >>>>XXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHht hHHHHhTtSS hHHHHHHHHh hHHHHHHh hHHHHHHHHHHHHhTt summary
sequence FARGCMRTYLILKERAEAFREDPEVKELLAAYYQEDPAALALLGPYSREKAEALKRAELPLEAKRRRGYALERLDQLAVEYLLGVRG sequence
310 320 330 340 350 360 370 380