Secondary structure calculation program - copyright by David Keith Smith, 1989
1iatA.pdb
1IAT ISOMERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 556
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 ALA A h > T 0 0 999.9 141.2 -177.5 999.9 999.9 999.9 0 0.0 5 -1.3 0 0.0 0 0.0 11 31
2 A 2 ALA A H H > T + 0 0 -55.2 -45.1 -174.2 54.7 999.9 31.5 0 0.0 6 -0.7 0 0.0 0 0.0 8 38
3 A 3 LEU L H H 4 > TS+ 0 0 -61.2 -45.5 -176.8 46.3 108.5 18.2 0 0.0 6 -1.3 0 0.0 0 0.0 10 51
4 A 4 THR T H H 4 3 TS+ 0 0 -71.2 -19.8 177.3 52.9 112.0 41.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
5 A 5 ARG R H H < 3 TS+ 0 0 -86.5 -7.5 -174.6 107.7 85.1 57.8 1 -1.3 0 0.0 0 0.0 0 0.0 8 29
6 A 6 ASP D h X < T - 0 0 -77.4 128.2 -177.6 -146.0 65.2 123.0 3 -1.3 10 -2.4 2 -0.7 0 0.0 10 34
7 A 7 PRO P H H > TS+ 0 0 -64.9 -29.8 176.5 53.7 99.1 36.1 0 0.0 11 -2.0 0 0.0 0 0.0 6 26
8 A 8 GLN Q H H > TS+ 0 0 -70.0 -37.0 177.0 48.9 109.3 29.4 0 0.0 12 -2.2 0 0.0 0 0.0 10 36
9 A 9 PHE F H H > TS+ 0 0 -64.9 -44.8 177.3 50.3 111.1 20.7 0 0.0 13 -2.5 0 0.0 0 0.0 11 49
10 A 10 GLN Q H H X TS+ 0 0 -58.6 -39.3 177.2 50.4 109.9 27.7 6 -2.4 14 -2.2 0 0.0 0 0.0 10 34
11 A 11 LYS K H H X TS+ 0 0 -64.3 -43.0 178.3 49.6 110.6 24.6 7 -2.0 15 -2.2 0 0.0 0 0.0 9 34
12 A 12 LEU L H H X TS+ 0 0 -62.3 -44.3 -179.7 48.9 111.1 22.5 8 -2.2 16 -2.5 0 0.0 0 0.0 11 47
13 A 13 GLN Q H H X TS+ 0 0 -63.8 -38.7 -177.8 50.2 110.7 27.5 9 -2.5 17 -2.3 0 0.0 0 0.0 9 39
14 A 14 GLN Q H H X TS+ 0 0 -69.5 -38.5 178.9 49.1 111.0 23.7 10 -2.2 18 -2.4 0 0.0 0 0.0 8 27
15 A 15 TRP W H H X TS+ 0 0 -65.1 -43.8 177.4 51.5 110.1 21.2 11 -2.2 19 -3.0 0 0.0 0 0.0 9 33
16 A 16 TYR Y H H X TS+ 0 0 -55.8 -48.1 -179.0 48.3 110.7 21.0 12 -2.5 20 -1.9 0 0.0 0 0.0 9 36
17 A 17 ARG R H H < TS+ 0 0 -61.0 -40.6 -178.4 43.5 116.9 24.6 13 -2.3 0 0.0 0 0.0 0 0.0 7 23
18 A 18 GLU E H H < TS+ 0 0 -73.5 -36.1 -170.9 24.1 127.8 33.0 14 -2.4 0 0.0 0 0.0 0 0.0 6 19
19 A 19 HIS H H H < > TS+ 0 0 -119.3 5.7 -177.3 105.9 84.5 68.3 15 -3.0 22 -1.4 0 0.0 0 0.0 8 25
20 A 20 ARG R G h < > TS+ 0 0 -52.4 -51.6 -176.5 54.6 80.0 24.3 16 -1.9 23 -2.3 0 0.0 0 0.0 8 32
21 A 21 SER S G G 3 TS+ 0 0 -60.5 -17.4 -178.6 60.7 102.9 48.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
22 A 22 GLU E G G < TS+ 0 0 -86.7 -8.0 -174.2 100.9 79.1 61.3 19 -1.4 24 -0.8 0 0.0 0 0.0 5 25
23 A 23 LEU L g < T + 0 0 -88.9 109.6 179.8 154.5 40.2 136.9 20 -2.3 0 0.0 0 0.0 0 0.0 9 39
24 A 24 ASN N h > T - 0 0 -137.3 123.5 -174.4 -148.4 36.1 168.5 22 -0.8 28 -2.3 0 0.0 0 0.0 9 39
25 A 25 LEU L H H > TS+ 0 0 -60.1 -45.5 180.0 52.6 97.0 27.7 0 0.0 29 -2.1 0 0.0 0 0.0 14 46
26 A 26 ARG R H H > TS+ 0 0 -55.2 -48.1 -177.9 44.1 113.7 18.8 0 0.0 30 -2.2 0 0.0 0 0.0 9 37
27 A 27 ARG R H H > TS+ 0 0 -68.3 -33.8 178.4 57.6 108.1 32.3 0 0.0 31 -1.6 0 0.0 0 0.0 7 34
28 A 28 LEU L H H X TS+ 0 0 -63.8 -36.5 179.7 47.1 109.4 26.4 24 -2.3 32 -0.7 0 0.0 0 0.0 10 37
29 A 29 PHE F H H < > TS+ 0 0 -74.4 -40.9 180.0 49.2 110.3 23.7 25 -2.1 32 -0.7 0 0.0 0 0.0 9 39
30 A 30 ASP D H H < 3 TS+ 0 0 -73.1 -15.4 177.2 50.8 111.8 38.3 26 -2.2 0 0.0 0 0.0 0 0.0 7 24
31 A 31 ALA A H H < 3 TS+ 0 0 -89.0 -14.5 -178.0 44.7 113.1 54.1 27 -1.6 0 0.0 0 0.0 0 0.0 6 23
32 A 32 ASN N h < X T - 0 0 -135.7 100.8 -177.1 -174.4 57.5 149.7 29 -0.7 35 -1.8 28 -0.7 0 0.0 7 25
33 A 33 LYS K T T 3 TS+ 0 0 -65.4 -26.8 -179.7 51.5 91.8 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 19
34 A 34 ASP D T h > 3 TS+ 0 0 -94.4 22.7 -175.6 118.3 75.4 84.4 0 0.0 38 -2.7 0 0.0 0 0.0 6 22
35 A 35 ARG R H H > < TS+ 0 0 -59.5 -46.6 176.4 44.4 76.5 23.9 32 -1.8 39 -1.3 0 0.0 0 0.0 10 32
36 A 36 PHE F H H 4 > TS+ 0 0 -61.4 -45.9 179.3 50.1 115.0 18.5 0 0.0 39 -0.5 0 0.0 0 0.0 9 37
37 A 37 ASN N H H 4 > TS+ 0 0 -59.3 -38.1 -175.3 44.0 114.5 27.8 0 0.0 40 -0.6 0 0.0 0 0.0 6 26
38 A 38 HIS H H H < 3 TS+ 0 0 -85.5 -13.2 -178.4 43.4 117.0 49.8 34 -2.7 0 0.0 0 0.0 0 0.0 7 34
39 A 39 PHE F T h < < TS+ 0 0 -128.3 45.1 174.3 74.3 101.2 104.9 35 -1.3 54 -1.6 36 -0.5 0 0.0 9 47
40 A 40 SER S E E AA < T - 53 0 -147.9 158.2 178.8 -155.2 56.3 168.9 37 -0.6 0 0.0 0 0.0 0 0.0 11 45
41 A 41 LEU L E E AA - 52 0 -132.6 141.1 169.9 -152.5 5.2 172.1 52 -2.0 52 -3.2 0 0.0 0 0.0 9 43
42 A 42 THR T E E AA - 51 0 -116.0 129.5 179.3 -160.3 7.9 167.7 0 0.0 44 -0.5 0 0.0 0 0.0 8 40
43 A 43 LEU L E E AA - 50 0 -103.9 125.1 177.8 -160.3 1.8 153.2 50 -3.0 50 -2.4 0 0.0 45 -0.7 8 50
44 A 44 ASN N E E AA + 49 0 -108.4 104.8 -174.3 175.1 13.7 155.3 42 -0.5 0 0.0 0 0.0 0 0.0 8 35
45 A 45 THR T e - 0 0 -86.9 -3.7 -173.7 -118.1 47.6 62.1 48 -2.3 0 0.0 43 -0.7 0 0.0 8 42
46 A 46 ASN N S S S+ 0 0 77.9 -9.0 175.7 63.5 112.0 75.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29
47 A 47 HIS H S S S- 0 0 -131.6 37.1 -178.1 -30.4 123.9 97.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
48 A 48 GLY G e - 0 0 126.4 150.7 176.0 -101.9 67.2 114.0 0 0.0 45 -2.3 0 0.0 0 0.0 10 37
49 A 49 HIS H E E AA - 44 0 -102.0 151.0 172.9 -154.1 21.0 140.8 0 0.0 479 -1.9 0 0.0 0 0.0 11 39
50 A 50 ILE I E E AAB - 43 478 -123.1 118.2 174.3 -160.0 4.3 170.0 43 -2.4 43 -3.0 0 0.0 52 -0.7 12 50
51 A 51 LEU L E E AAB - 42 477 -95.3 118.5 173.4 -167.1 2.9 152.9 477 -3.3 477 -2.3 0 0.0 53 -0.8 12 48
52 A 52 VAL V E E AAB - 41 476 -104.0 98.3 -176.6 -172.5 8.7 153.4 41 -3.2 41 -2.0 50 -0.7 54 -0.8 13 57
53 A 53 ASP D E E AAB + 40 475 -97.4 105.8 -179.3 160.7 19.4 147.4 475 -3.0 475 -2.5 51 -0.8 0 0.0 12 52
54 A 54 TYR Y e + 0 0 -109.7 24.2 -175.5 109.3 41.6 84.7 39 -1.6 0 0.0 52 -0.8 0 0.0 10 59
55 A 55 SER S + 0 0 -76.2 -22.9 176.5 69.7 62.9 42.4 0 0.0 57 -0.8 0 0.0 0 0.0 10 58
56 A 56 LYS K S S S+ 0 0 -86.7 43.5 179.2 109.2 82.6 101.8 0 0.0 473 -1.9 0 0.0 0 0.0 11 62
57 A 57 ASN N S S S- 0 0 -119.4 153.2 -178.0 -108.4 84.1 151.1 55 -0.8 59 -2.3 0 0.0 0 0.0 10 65
58 A 58 LEU L S S S+ 0 0 -80.1 64.4 -178.6 110.1 81.4 116.4 0 0.0 0 0.0 0 0.0 0 0.0 8 65
59 A 59 VAL V - 0 0 -138.1 154.7 173.0 -162.7 47.4 162.7 57 -2.3 0 0.0 0 0.0 0 0.0 8 59
60 A 60 THR T h > T - 0 0 -121.5 177.5 176.3 -91.9 47.0 134.6 0 0.0 64 -2.3 0 0.0 0 0.0 6 47
61 A 61 GLU E H H > TS+ 0 0 -58.2 -41.2 179.6 53.8 128.2 23.8 0 0.0 65 -2.4 0 0.0 0 0.0 6 39
62 A 62 ASP D H H > TS+ 0 0 -60.2 -42.7 179.4 50.3 107.8 26.3 0 0.0 66 -2.4 0 0.0 0 0.0 7 37
63 A 63 VAL V H H > TS+ 0 0 -62.6 -42.4 -177.7 48.3 111.0 21.6 0 0.0 67 -2.4 0 0.0 0 0.0 9 51
64 A 64 MET M H H X TS+ 0 0 -67.2 -36.4 178.1 51.1 110.6 26.5 60 -2.3 68 -2.4 0 0.0 0 0.0 9 50
65 A 65 ARG R H H X TS+ 0 0 -62.9 -45.6 -179.8 48.6 110.8 20.1 61 -2.4 69 -2.6 0 0.0 0 0.0 9 37
66 A 66 MET M H H X TS+ 0 0 -62.3 -39.5 178.8 50.9 110.9 29.8 62 -2.4 70 -1.8 0 0.0 0 0.0 11 42
67 A 67 LEU L H H X TS+ 0 0 -66.5 -40.7 177.4 48.0 110.5 23.7 63 -2.4 71 -2.2 0 0.0 0 0.0 11 60
68 A 68 VAL V H H X TS+ 0 0 -64.5 -41.1 178.9 52.4 110.3 22.6 64 -2.4 72 -2.2 0 0.0 0 0.0 11 48
69 A 69 ASP D H H X TS+ 0 0 -62.4 -33.1 176.9 53.5 107.4 30.6 65 -2.6 73 -2.7 0 0.0 0 0.0 9 41
70 A 70 LEU L H H X TS+ 0 0 -65.8 -46.1 177.5 51.8 106.1 21.4 66 -1.8 74 -2.4 0 0.0 0 0.0 11 52
71 A 71 ALA A H H < >TS+ 0 0 -56.1 -42.2 -179.4 46.1 112.9 24.2 67 -2.2 76 -2.1 0 0.0 0 0.0 11 58
72 A 72 LYS K H H < >5TS+ 0 0 -66.7 -43.6 -177.3 50.5 111.5 20.7 68 -2.2 75 -1.6 0 0.0 0 0.0 9 43
73 A 73 SER S H H < 35TS+ 0 0 -64.2 -32.5 -178.6 51.9 108.8 33.5 69 -2.7 0 0.0 0 0.0 0 0.0 9 37
74 A 74 ARG R T h < 35TS- 0 0 -86.9 2.6 173.5 -117.3 114.9 65.2 70 -2.4 0 0.0 0 0.0 0 0.0 10 45
75 A 75 GLY G T h > <5T + 0 0 72.3 33.2 -180.0 158.8 55.1 34.4 72 -1.6 79 -2.3 0 0.0 0 0.0 10 39
76 A 76 VAL V H H > TS+ 0 0 -64.3 -45.4 -179.7 45.6 111.0 22.5 0 0.0 81 -2.2 0 0.0 0 0.0 7 47
78 A 78 ALA A H H > TS+ 0 0 -66.1 -36.9 177.7 50.6 113.5 27.1 0 0.0 82 -2.1 0 0.0 0 0.0 7 33
79 A 79 ALA A H H X TS+ 0 0 -63.1 -43.1 178.1 53.5 108.2 23.9 75 -2.3 83 -2.0 0 0.0 0 0.0 9 45
80 A 80 ARG R H H X TS+ 0 0 -56.3 -45.3 -178.8 49.7 107.9 23.2 76 -2.4 84 -2.4 0 0.0 0 0.0 9 57
81 A 81 GLU E H H X TS+ 0 0 -66.0 -35.7 178.3 55.5 106.6 25.1 77 -2.2 85 -2.2 0 0.0 0 0.0 9 40
82 A 82 ARG R H H < >TS+ 0 0 -62.1 -39.1 178.1 49.0 108.8 25.5 78 -2.1 87 -2.3 0 0.0 0 0.0 11 42
83 A 83 MET M H H < >5TS+ 0 0 -61.1 -56.2 -177.8 43.6 113.9 13.3 79 -2.0 86 -1.6 0 0.0 0 0.0 13 52
84 A 84 PHE F H H < 35TS+ 0 0 -62.1 -26.4 -179.1 57.8 110.2 40.0 80 -2.4 0 0.0 0 0.0 0 0.0 12 54
85 A 85 ASN N T h < 35TS- 0 0 -87.4 2.6 177.1 -110.4 115.5 64.2 81 -2.2 0 0.0 0 0.0 0 0.0 8 39
86 A 86 GLY G T T <5T + 0 0 80.1 17.3 176.9 156.7 61.1 46.1 83 -1.6 0 0.0 0 0.0 0 0.0 12 43
87 A 87 GLU E t A >T + 95 0 -84.7 84.2 -167.1 173.3 67.7 133.8 95 -2.3 95 -2.3 0 0.0 94 -1.1 13 50
91 A 91 TYR Y T T 4 5T + 0 0 -76.0 -24.9 -179.6 57.8 63.1 43.5 89 -1.8 0 0.0 0 0.0 0 0.0 9 35
92 A 92 THR T T T 4 5TS+ 0 0 -76.8 -27.7 177.4 31.2 118.8 34.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
93 A 93 GLU E T T 4 5TS- 0 0 -101.4 -6.0 -177.0 -122.3 106.6 59.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
94 A 94 GLY G T T < 5T + 0 0 64.2 45.0 -177.3 134.4 66.4 23.4 90 -1.1 0 0.0 0 0.0 0 0.0 8 28
95 A 95 ARG R B B A > T + 0 0 -132.5 40.3 169.4 128.9 22.6 97.2 268 -2.5 102 -1.0 0 0.0 101 -0.9 11 66
99 A 99 HIS H H H > 3 TS+ 0 0 -57.7 -26.8 179.9 65.2 81.3 32.3 0 0.0 103 -0.7 0 0.0 0 0.0 13 78
100 A 100 VAL V H H 4 3 TS+ 0 0 -66.8 -26.4 177.9 57.0 94.7 34.3 0 0.0 0 0.0 0 0.0 0 0.0 9 73
101 A 101 ALA A H H 4 X TS+ 0 0 -69.9 -31.9 -177.1 65.8 94.8 31.4 98 -0.9 104 -1.7 0 0.0 0 0.0 11 64
102 A 102 LEU L H H < 3 TS+ 0 0 -59.5 -30.6 -177.5 30.6 113.9 34.7 98 -1.0 0 0.0 0 0.0 0 0.0 11 69
103 A 103 ARG R T h < 3 TS+ 0 0 -116.9 23.1 179.8 133.4 79.5 86.8 99 -0.7 105 -2.1 0 0.0 0 0.0 11 64
104 A 104 ASN N t X T + 0 0 -76.6 80.0 -175.5 171.2 23.8 120.3 101 -1.7 107 -1.8 0 0.0 0 0.0 11 52
105 A 105 ARG R T T 3 TS+ 0 0 -64.5 -22.3 -179.7 66.2 71.6 43.8 103 -2.1 0 0.0 0 0.0 0 0.0 7 42
106 A 106 SER S T T 3 TS- 0 0 -74.1 -15.5 176.5 -144.7 95.5 48.9 0 0.0 0 0.0 0 0.0 0 0.0 4 30
107 A 107 ASN N t < T + 0 0 59.7 21.2 173.2 162.4 36.2 50.4 104 -1.8 0 0.0 0 0.0 0 0.0 6 33
108 A 108 THR T - 0 0 -63.4 140.6 180.0 -93.6 51.6 114.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
109 A 109 PRO P - 0 0 -60.2 136.3 176.2 -170.4 40.8 110.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
110 A 110 ILE I e - 0 0 -130.2 119.8 -171.7 -144.2 16.1 171.3 0 0.0 117 -2.7 0 0.0 0 0.0 12 40
111 A 111 LEU L E E BC - 116 0 -96.7 134.3 167.5 -177.9 20.9 134.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
112 A 112 VAL V E E BC > TS- 115 0 -121.2 123.5 -176.7 -12.8 88.0 176.6 115 -2.2 115 -2.1 0 0.0 0 0.0 10 38
113 A 113 ASP D T T 3 TS- 0 0 50.0 44.0 176.8 -55.0 132.4 26.1 0 0.0 0 0.0 0 0.0 0 0.0 4 26
114 A 114 GLY G T T 3 TS+ 0 0 79.6 -8.0 -173.6 109.8 116.9 75.0 0 0.0 116 -0.5 0 0.0 0 0.0 5 19
115 A 115 LYS K E E BC < TS- 112 0 -110.2 127.6 179.5 -119.5 71.6 151.2 112 -2.1 112 -2.2 0 0.0 0 0.0 7 24
116 A 116 ASP D E E BC - 111 0 -61.6 129.6 -179.8 -161.3 18.1 111.5 114 -0.5 0 0.0 0 0.0 0 0.0 9 30
117 A 117 VAL V S h > TS+ 0 0 -88.5 -9.9 -174.1 88.2 70.5 53.9 110 -2.7 121 -2.3 0 0.0 0 0.0 11 43
118 A 118 MET M H H > TS+ 0 0 -62.0 -41.9 178.7 55.7 80.8 29.1 0 0.0 122 -2.9 0 0.0 0 0.0 13 42
119 A 119 PRO P H H > TS+ 0 0 -57.1 -41.0 -179.6 43.0 112.6 22.5 0 0.0 123 -2.1 0 0.0 0 0.0 7 30
120 A 120 GLU E H H > TS+ 0 0 -74.8 -34.5 176.1 53.4 112.0 27.3 0 0.0 124 -2.3 0 0.0 0 0.0 7 41
121 A 121 VAL V H H X TS+ 0 0 -58.8 -48.6 -178.1 42.6 114.6 17.3 117 -2.3 125 -2.3 0 0.0 0 0.0 12 52
122 A 122 ASN N H H X TS+ 0 0 -69.6 -32.4 178.6 57.4 109.3 33.6 118 -2.9 126 -2.6 0 0.0 0 0.0 8 41
123 A 123 LYS K H H X TS+ 0 0 -64.3 -42.7 177.8 45.2 109.7 21.2 119 -2.1 127 -2.1 0 0.0 0 0.0 8 32
124 A 124 VAL V H H X TS+ 0 0 -66.8 -42.8 175.7 52.7 111.0 21.0 120 -2.3 128 -3.0 0 0.0 0 0.0 11 48
125 A 125 LEU L H H X TS+ 0 0 -55.7 -43.9 -179.6 48.6 110.5 21.7 121 -2.3 129 -2.6 0 0.0 0 0.0 10 53
126 A 126 ASP D H H X TS+ 0 0 -64.6 -37.2 178.6 49.7 111.2 26.2 122 -2.6 130 -2.6 0 0.0 0 0.0 8 38
127 A 127 LYS K H H X TS+ 0 0 -66.4 -43.0 175.7 50.2 110.8 24.2 123 -2.1 131 -2.6 0 0.0 0 0.0 9 39
128 A 128 MET M H H X TS+ 0 0 -58.8 -44.8 -177.1 48.1 111.6 21.5 124 -3.0 132 -2.8 0 0.0 0 0.0 12 51
129 A 129 LYS K H H X TS+ 0 0 -66.5 -43.1 179.6 49.2 111.4 20.6 125 -2.6 133 -2.4 0 0.0 0 0.0 10 43
130 A 130 SER S H H X TS+ 0 0 -61.5 -45.8 178.1 44.5 114.7 19.1 126 -2.6 134 -1.9 0 0.0 0 0.0 8 33
131 A 131 PHE F H H X TS+ 0 0 -62.2 -44.8 -179.4 53.1 112.0 22.4 127 -2.6 135 -2.7 0 0.0 0 0.0 8 55
132 A 132 CYS C H H X TS+ 0 0 -59.0 -42.3 178.7 52.3 106.8 29.1 128 -2.8 136 -2.9 0 0.0 0 0.0 13 57
133 A 133 GLN Q H H X TS+ 0 0 -60.9 -43.8 -178.4 48.7 110.0 21.2 129 -2.4 137 -2.3 0 0.0 0 0.0 8 38
134 A 134 ARG R H H < >TS+ 0 0 -63.4 -44.8 -178.7 43.4 115.8 21.7 130 -1.9 140 -2.4 0 0.0 139 -0.9 10 38
135 A 135 VAL V H H < >5TS+ 0 0 -67.3 -50.6 -175.7 44.0 116.6 16.0 131 -2.7 138 -0.8 0 0.0 0 0.0 13 52
136 A 136 ARG R H H < 35TS+ 0 0 -65.9 -32.2 -176.2 51.4 112.7 31.4 132 -2.9 0 0.0 0 0.0 0 0.0 13 44
137 A 137 SER S T h < 35TS- 0 0 -79.4 -15.4 -178.5 -115.1 112.9 49.9 133 -2.3 0 0.0 0 0.0 0 0.0 7 33
138 A 138 GLY G T T <5TS+ 0 0 94.0 2.4 178.7 118.5 85.6 65.2 135 -0.8 0 0.0 0 0.0 0 0.0 9 34
139 A 139 ASP D t T - 0 0 -74.8 -178.2 -169.8 -79.4 49.1 96.8 146 -2.9 145 -2.5 0 0.0 0 0.0 13 42
143 A 143 TYR Y T T 3 TS+ 0 0 -65.8 -19.3 176.9 43.9 132.8 46.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
144 A 144 THR T T T 3 TS- 0 0 -105.9 11.7 177.8 -98.7 124.3 76.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
145 A 145 GLY G S t < TS+ 0 0 88.6 9.3 -176.6 132.1 79.2 56.4 142 -2.5 0 0.0 0 0.0 0 0.0 7 26
146 A 146 LYS K - 0 0 -94.1 158.4 175.9 -104.9 59.0 122.5 0 0.0 142 -2.9 0 0.0 0 0.0 9 29
147 A 147 THR T B B B - 141 0 -78.0 157.0 -179.1 -98.8 41.4 118.4 0 0.0 0 0.0 0 0.0 0 0.0 11 35
148 A 148 ILE I + 0 0 -79.0 127.0 -179.1 168.8 42.6 127.1 140 -0.6 0 0.0 0 0.0 0 0.0 16 47
149 A 149 THR T e + 0 0 -111.3 -15.5 -175.1 43.9 63.4 55.6 202 -2.5 179 -2.3 0 0.0 0 0.0 8 47
150 A 150 ASP D E E Cde - 179 203 -140.8 133.2 177.3 -164.9 57.2 179.1 202 -1.8 204 -2.8 0 0.0 0 0.0 12 53
151 A 151 VAL V E E Cde - 180 204 -116.4 128.3 -177.8 -163.8 10.2 167.6 179 -2.8 181 -2.3 0 0.0 153 -0.6 14 67
152 A 152 ILE I E E Cde - 181 205 -120.7 113.7 177.1 -158.5 3.9 162.1 204 -3.0 206 -3.0 0 0.0 0 0.0 12 67
153 A 153 ASN N E E Cde - 182 206 -88.2 128.1 177.8 -165.4 6.8 141.7 181 -3.0 183 -3.0 151 -0.6 155 -0.6 14 71
154 A 154 ILE I E E Cde + 183 207 -115.7 115.2 -177.3 103.3 40.4 167.1 206 -3.0 208 -2.9 0 0.0 0 0.0 16 67
155 A 155 GLY G e - 0 0 -178.0 167.1 -178.9 -131.6 51.3 163.5 183 -2.1 0 0.0 153 -0.6 0 0.0 15 63
156 A 156 ILE I g > T - 0 0 -138.8 156.5 -178.8 -11.1 63.8 162.6 0 0.0 159 -1.9 0 0.0 0 0.0 14 57
157 A 157 GLY G G G > > TS+ 0 0 60.1 -122.3 -175.7 9.1 135.6 112.4 0 0.0 161 -2.8 0 0.0 160 -2.2 10 56
158 A 158 GLY G G G 4 3 TS+ 0 0 -66.2 -17.3 178.7 57.1 131.4 43.2 0 0.0 0 0.0 0 0.0 0 0.0 14 66
159 A 159 SER S G G 4 < TS+ 0 0 -91.6 7.5 -178.2 23.5 122.6 67.1 156 -1.9 0 0.0 0 0.0 0 0.0 17 68
160 A 160 ASP D T h > < TS+ 0 0 -132.0 -51.5 -166.1 61.7 108.5 50.5 157 -2.2 164 -2.5 0 0.0 0 0.0 15 64
161 A 161 LEU L H H X TS+ 0 0 -64.0 -38.9 -179.7 47.6 104.8 32.4 157 -2.8 165 -2.6 0 0.0 0 0.0 11 55
162 A 162 GLY G H H > TS+ 0 0 -66.7 -58.0 179.5 43.1 114.3 15.0 0 0.0 166 -2.9 0 0.0 0 0.0 13 71
163 A 163 PRO P H H > TS+ 0 0 -57.0 -39.5 178.6 47.9 117.6 24.1 0 0.0 167 -2.6 0 0.0 0 0.0 13 70
164 A 164 LEU L H H X TS+ 0 0 -66.3 -46.3 -177.4 47.4 113.2 18.5 160 -2.5 168 -2.3 0 0.0 0 0.0 10 61
165 A 165 MET M H H X TS+ 0 0 -61.8 -41.4 -176.6 44.9 115.8 23.1 161 -2.6 169 -2.2 0 0.0 0 0.0 13 65
166 A 166 VAL V H H X TS+ 0 0 -73.5 -41.7 175.8 49.4 112.0 24.8 162 -2.9 170 -2.1 0 0.0 0 0.0 9 70
167 A 167 THR T H H < TS+ 0 0 -64.2 -34.9 175.0 48.5 113.5 26.9 163 -2.6 0 0.0 0 0.0 0 0.0 11 60
168 A 168 GLU E H H < > TS+ 0 0 -65.4 -44.7 -176.8 46.6 113.7 22.4 164 -2.3 171 -1.0 0 0.0 0 0.0 11 51
169 A 169 ALA A H H < 3 TS+ 0 0 -68.1 -29.9 -174.8 42.3 117.6 38.5 165 -2.2 0 0.0 0 0.0 0 0.0 9 57
170 A 170 LEU L T h < > TS+ 0 0 -108.2 24.8 179.0 128.1 72.3 85.8 166 -2.1 173 -2.5 0 0.0 0 0.0 12 58
171 A 171 LYS K G G X T + 0 0 -49.8 -38.7 179.6 62.1 67.1 32.1 168 -1.0 174 -1.9 0 0.0 0 0.0 9 45
172 A 172 PRO P G G 3 TS+ 0 0 -63.3 -17.1 -177.9 57.0 99.6 47.6 0 0.0 0 0.0 0 0.0 0 0.0 6 38
173 A 173 TYR Y G G < TS+ 0 0 -97.1 14.7 -173.8 90.0 82.3 77.7 170 -2.5 0 0.0 0 0.0 0 0.0 7 41
174 A 174 SER S g X T + 0 0 -100.6 14.2 178.6 140.0 47.2 77.5 171 -1.9 177 -2.3 0 0.0 0 0.0 10 44
175 A 175 SER S T T 3 TS+ 0 0 -58.4 132.3 178.7 13.3 77.3 109.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
176 A 176 GLY G T T 3 TS+ 0 0 80.7 2.8 178.3 116.7 102.8 58.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
177 A 177 GLY G t < T - 0 0 -101.9 157.0 176.2 -105.2 69.6 135.2 174 -2.3 0 0.0 0 0.0 0 0.0 10 45
178 A 178 PRO P - 0 0 -68.9 163.5 175.6 -89.2 46.3 107.7 0 0.0 0 0.0 0 0.0 0 0.0 11 52
179 A 179 ARG R E E Cd - 150 0 -69.4 147.9 177.3 -143.6 44.1 118.3 149 -2.3 151 -2.8 0 0.0 0 0.0 8 49
180 A 180 VAL V E E Cd - 151 0 -121.4 139.3 179.3 -173.2 16.0 161.2 0 0.0 0 0.0 0 0.0 0 0.0 10 58
181 A 181 TRP W E E Cd - 152 0 -127.4 146.0 179.2 -150.0 11.6 165.4 151 -2.3 153 -3.0 0 0.0 0 0.0 9 59
182 A 182 TYR Y E E Cd - 153 0 -121.3 119.1 176.7 -177.8 12.1 166.6 0 0.0 0 0.0 0 0.0 0 0.0 10 60
183 A 183 VAL V E E Cd + 154 0 -114.7 128.6 -175.3 139.2 23.9 169.8 153 -3.0 155 -2.1 0 0.0 0 0.0 13 56
184 A 184 SER S + 0 0 -138.8 -42.8 -175.0 88.6 35.6 51.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
185 A 185 ASN N - 0 0 -68.4 145.8 167.9 -139.6 64.0 112.2 0 0.0 0 0.0 0 0.0 0 0.0 8 39
186 A 186 ILE I S S S+ 0 0 -65.5 -32.1 176.0 113.0 74.7 33.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
187 A 187 ASP D S h > > TS- 0 0 -41.0 121.7 -172.2 -133.5 76.3 100.6 0 0.0 190 -2.2 0 0.0 191 -0.6 6 26
188 A 188 GLY G H H > 3 TS+ 0 0 -64.8 -19.1 170.2 76.7 97.9 45.8 0 0.0 192 -2.6 0 0.0 0 0.0 7 29
189 A 189 THR T H H > 3 TS+ 0 0 -49.9 -41.2 -171.6 58.6 89.8 28.6 0 0.0 193 -2.4 0 0.0 0 0.0 6 23
190 A 190 HIS H H H > < TS+ 0 0 -64.4 -56.0 177.9 30.1 114.5 14.7 187 -2.2 194 -1.1 0 0.0 0 0.0 11 32
191 A 191 ILE I H H X TS+ 0 0 -68.9 -37.3 -176.2 56.6 119.3 27.8 187 -0.6 195 -3.0 0 0.0 0 0.0 12 45
192 A 192 ALA A H H X TS+ 0 0 -61.5 -48.0 -177.6 44.0 108.8 20.3 188 -2.6 196 -1.8 0 0.0 0 0.0 8 33
193 A 193 LYS K H H < TS+ 0 0 -70.2 -23.6 176.7 49.8 116.0 38.6 189 -2.4 0 0.0 0 0.0 0 0.0 8 24
194 A 194 THR T H H < > TS+ 0 0 -76.7 -51.5 -179.3 48.9 109.1 18.1 190 -1.1 197 -1.9 0 0.0 0 0.0 10 40
195 A 195 LEU L H H < > TS+ 0 0 -58.0 -32.9 -179.6 66.0 101.5 32.5 191 -3.0 198 -1.9 0 0.0 0 0.0 9 45
196 A 196 ALA A T h < 3 TS+ 0 0 -61.6 -21.2 -177.9 48.5 102.4 43.0 192 -1.8 0 0.0 0 0.0 0 0.0 6 27
197 A 197 GLN Q T G < TS+ 0 0 -99.0 5.1 -170.4 83.7 102.3 65.8 194 -1.9 0 0.0 0 0.0 0 0.0 6 28
198 A 198 LEU L g < T - 0 0 -117.5 157.9 173.4 -141.3 63.4 136.7 195 -1.9 0 0.0 0 0.0 0 0.0 9 40
199 A 199 ASN N g > T - 0 0 -110.0 122.5 -178.0 -144.7 18.0 164.3 0 0.0 202 -1.8 0 0.0 0 0.0 7 41
200 A 200 PRO P G G > TS+ 0 0 -58.0 -27.6 -177.5 65.3 96.6 35.4 0 0.0 203 -0.9 0 0.0 0 0.0 8 48
201 A 201 GLU E G G 3 TS+ 0 0 -67.0 -22.3 -173.0 28.5 113.4 44.7 0 0.0 0 0.0 0 0.0 0 0.0 10 43
202 A 202 SER S G e < TS+ 0 0 -127.5 18.8 -176.0 102.1 98.3 80.2 199 -1.8 149 -2.5 0 0.0 150 -1.8 12 48
203 A 203 SER S E E Ce < T - 150 0 -113.9 131.7 177.3 -163.1 47.5 155.5 200 -0.9 0 0.0 0 0.0 0 0.0 14 58
204 A 204 LEU L E E Ce - 151 0 -112.4 124.7 179.1 -153.0 10.6 162.7 150 -2.8 152 -3.0 0 0.0 0 0.0 12 69
205 A 205 PHE F E E Cef - 152 242 -100.5 136.7 -179.6 -161.2 3.6 143.8 241 -3.4 243 -2.3 0 0.0 207 -0.5 11 78
206 A 206 ILE I E E Cef - 153 243 -116.7 115.2 -178.4 -155.0 7.1 167.6 152 -3.0 154 -3.0 0 0.0 208 -0.8 13 78
207 A 207 ILE I E E Cef - 154 244 -97.2 112.6 -169.5 -170.0 16.0 147.0 243 -3.1 245 -2.5 205 -0.5 209 -0.6 14 74
208 A 208 ALA A E E C f + 0 245 -112.9 110.3 179.7 132.8 25.1 150.1 154 -2.9 0 0.0 206 -0.8 0 0.0 16 75
209 A 209 SER S e - 0 0 -160.6 121.1 -178.0 -149.8 44.1 148.3 245 -2.4 0 0.0 207 -0.6 0 0.0 15 68
210 A 210 LYS K S S S+ 0 0 -56.1 -48.6 -177.0 25.0 106.5 22.1 0 0.0 247 -2.2 0 0.0 248 -0.5 11 55
211 A 211 THR T S S S- 0 0 -85.1 -25.3 -169.3 -139.3 94.7 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
212 A 212 PHE F S S S+ 0 0 62.1 26.6 172.9 83.5 86.5 43.2 0 0.0 0 0.0 0 0.0 0 0.0 13 51
213 A 213 THR T + 0 0 -128.7 -0.5 -175.3 133.7 47.8 65.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
214 A 214 THR T h > T - 0 0 -57.1 125.7 -173.4 -137.7 55.2 108.0 0 0.0 218 -2.6 0 0.0 0 0.0 8 42
215 A 215 GLN Q H H > TS+ 0 0 -57.6 -46.0 -176.5 49.2 97.1 27.5 0 0.0 219 -2.3 0 0.0 0 0.0 6 39
216 A 216 GLU E H H > TS+ 0 0 -60.6 -46.6 -175.8 43.8 115.6 21.8 0 0.0 220 -2.4 0 0.0 0 0.0 11 42
217 A 217 THR T H H > TS+ 0 0 -67.6 -46.4 -179.9 46.3 114.5 24.2 0 0.0 221 -2.6 0 0.0 0 0.0 17 52
218 A 218 ILE I H H X TS+ 0 0 -66.8 -37.3 177.4 49.3 114.0 27.7 214 -2.6 222 -2.4 0 0.0 0 0.0 11 49
219 A 219 THR T H H X TS+ 0 0 -66.4 -43.5 176.6 47.2 112.8 18.5 215 -2.3 223 -2.3 0 0.0 0 0.0 9 42
220 A 220 ASN N H H X TS+ 0 0 -60.6 -41.0 179.4 51.7 112.0 25.0 216 -2.4 224 -2.3 0 0.0 0 0.0 12 48
221 A 221 ALA A H H X TS+ 0 0 -61.6 -42.6 179.4 49.0 109.4 26.9 217 -2.6 225 -2.6 0 0.0 0 0.0 10 62
222 A 222 GLU E H H X TS+ 0 0 -66.2 -38.1 177.2 51.2 110.3 27.5 218 -2.4 226 -2.5 0 0.0 0 0.0 8 50
223 A 223 THR T H H X TS+ 0 0 -65.0 -41.3 177.4 47.0 111.8 22.6 219 -2.3 227 -2.2 0 0.0 0 0.0 9 44
224 A 224 ALA A H H X TS+ 0 0 -64.2 -42.4 -177.4 50.5 111.8 26.1 220 -2.3 228 -2.6 0 0.0 0 0.0 10 63
225 A 225 LYS K H H X TS+ 0 0 -65.3 -38.9 178.0 50.4 110.2 25.8 221 -2.6 229 -3.0 0 0.0 0 0.0 9 51
226 A 226 GLU E H H X TS+ 0 0 -63.7 -44.6 179.0 47.3 111.4 21.7 222 -2.5 230 -1.8 0 0.0 0 0.0 8 35
227 A 227 TRP W H H X TS+ 0 0 -61.4 -43.5 179.5 49.1 113.7 22.6 223 -2.2 231 -0.9 0 0.0 0 0.0 8 37
228 A 228 PHE F H H X > TS+ 0 0 -61.3 -47.0 -176.8 49.2 110.9 21.7 224 -2.6 232 -2.9 0 0.0 231 -0.9 10 47
229 A 229 LEU L H H X 3 TS+ 0 0 -69.1 -24.4 177.4 66.7 98.4 40.3 225 -3.0 233 -2.1 0 0.0 0 0.0 11 36
230 A 230 GLN Q H H < 3 TS+ 0 0 -62.5 -31.2 178.5 30.7 115.7 30.8 226 -1.8 0 0.0 0 0.0 0 0.0 7 24
231 A 231 ALA A H H < < TS+ 0 0 -90.6 -47.5 -172.8 38.8 127.4 29.1 228 -0.9 0 0.0 227 -0.9 0 0.0 7 28
232 A 232 ALA A H H < TS- 0 0 -80.4 -32.3 177.3 -166.1 76.8 35.3 228 -2.9 0 0.0 0 0.0 0 0.0 10 31
233 A 233 LYS K h < T + 0 0 52.6 31.9 179.4 93.8 57.3 39.1 229 -2.1 0 0.0 0 0.0 0 0.0 7 22
234 A 234 ASP D g > T - 0 0 -153.9 110.8 178.2 -150.3 65.5 146.3 0 0.0 237 -2.3 0 0.0 0 0.0 7 24
235 A 235 PRO P G G > TS+ 0 0 -52.9 -26.3 179.0 65.9 97.8 39.0 0 0.0 238 -1.2 0 0.0 0 0.0 7 30
236 A 236 SER S G G > TS+ 0 0 -68.5 -22.4 -179.6 66.8 88.7 41.7 0 0.0 239 -0.7 0 0.0 0 0.0 6 30
237 A 237 ALA A G h > X TS+ 0 0 -69.2 -18.6 -176.9 76.7 82.2 43.4 234 -2.3 240 -1.7 0 0.0 241 -0.5 10 37
238 A 238 VAL V H H > X TS+ 0 0 -60.8 -35.3 -178.8 64.2 84.2 27.5 235 -1.2 241 -1.7 0 0.0 242 -1.6 13 49
239 A 239 ALA A H H 4 < TS+ 0 0 -63.6 -16.9 176.6 50.5 101.1 49.3 236 -0.7 0 0.0 0 0.0 0 0.0 10 47
240 A 240 LYS K H H 4 < TS+ 0 0 -93.3 -9.6 -173.3 31.1 121.7 55.7 237 -1.7 0 0.0 0 0.0 0 0.0 11 52
241 A 241 HIS H H H < < TS+ 0 0 -130.4 -1.6 -178.3 61.0 108.1 63.8 238 -1.7 205 -3.4 237 -0.5 0 0.0 11 68
242 A 242 PHE F E E T + 0 0 -105.0 90.0 178.0 174.9 47.5 133.1 210 -0.5 252 -1.9 0 0.0 0 0.0 9 38
249 A 249 THR T H H > TS+ 0 0 -51.8 -47.2 -178.6 54.1 80.1 27.1 247 -1.0 253 -2.1 0 0.0 0 0.0 9 33
250 A 250 THR T H H > TS+ 0 0 -57.7 -49.5 -177.6 44.6 109.8 21.0 0 0.0 254 -2.4 0 0.0 0 0.0 6 27
251 A 251 LYS K H H > TS+ 0 0 -69.4 -29.0 178.7 56.0 109.9 33.3 0 0.0 255 -1.3 0 0.0 0 0.0 9 36
252 A 252 VAL V H H X >TS+ 0 0 -65.9 -41.3 -178.9 47.0 109.6 20.8 248 -1.9 257 -1.8 0 0.0 256 -0.7 14 43
253 A 253 LYS K H H < >5TS+ 0 0 -66.0 -45.7 178.8 53.6 108.8 22.0 249 -2.1 256 -1.4 0 0.0 0 0.0 10 35
254 A 254 GLU E H H < 35TS+ 0 0 -59.2 -27.3 -178.8 59.5 102.6 37.7 250 -2.4 0 0.0 0 0.0 0 0.0 7 31
255 A 255 PHE F H H < 35TS- 0 0 -76.0 -18.9 -179.7 -105.9 122.2 43.3 251 -1.3 0 0.0 0 0.0 0 0.0 6 46
256 A 256 GLY G T h < <5TS+ 0 0 105.0 14.2 178.6 143.9 70.1 54.4 253 -1.4 258 -0.5 252 -0.7 0 0.0 7 42
257 A 257 ILE I t T - 0 0 -47.3 127.1 -178.3 -130.1 24.4 105.1 256 -0.5 261 -2.7 0 0.0 0 0.0 9 34
259 A 259 PRO P G G > TS+ 0 0 -57.0 -30.8 177.6 58.3 108.6 36.8 0 0.0 262 -1.3 0 0.0 0 0.0 8 34
260 A 260 GLN Q G G 3 TS+ 0 0 -74.7 -6.8 -178.2 62.4 98.5 55.0 0 0.0 0 0.0 0 0.0 0 0.0 4 37
261 A 261 ASN N G e < TS+ 0 0 -102.6 15.3 178.4 103.8 81.4 82.1 258 -2.7 244 -2.4 0 0.0 0 0.0 10 52
262 A 262 MET M E E Cg < T - 244 0 -101.6 127.2 177.6 -162.2 54.1 154.1 259 -1.3 264 -0.6 0 0.0 0 0.0 13 56
263 A 263 PHE F E E Cg - 245 0 -109.3 110.4 -169.2 -142.7 26.0 162.9 244 -2.9 246 -1.4 0 0.0 0 0.0 12 60
264 A 264 GLU E E E Cg + 246 0 -82.8 146.3 160.0 171.7 26.6 114.8 262 -0.6 0 0.0 0 0.0 0 0.0 9 57
265 A 265 PHE F e - 0 0 -133.3 -169.4 -164.2 -113.7 25.5 139.8 246 -1.6 0 0.0 0 0.0 0 0.0 12 61
266 A 266 TRP W t > T - 0 0 -132.8 163.6 -175.3 -105.9 23.0 142.0 0 0.0 269 -2.0 0 0.0 0 0.0 6 62
267 A 267 ASP D T T 3 TS+ 0 0 -61.6 -24.0 -179.6 63.4 113.9 39.4 0 0.0 0 0.0 0 0.0 0 0.0 8 52
268 A 268 TRP W T T 3 TS+ 0 0 -85.9 8.0 170.6 88.0 83.3 70.6 0 0.0 98 -2.5 0 0.0 270 -0.7 9 58
269 A 269 VAL V S t < TS- 0 0 -102.5 106.2 176.6 -148.8 73.8 155.2 266 -2.0 0 0.0 0 0.0 0 0.0 12 63
270 A 270 GLY G g > T - 0 0 -70.6 145.5 -178.2 -121.4 19.3 117.3 268 -0.7 273 -2.2 0 0.0 0 0.0 11 67
271 A 271 GLY G G G > TS+ 0 0 -56.3 -41.9 179.7 52.6 113.6 25.2 0 0.0 274 -1.7 0 0.0 0 0.0 10 63
272 A 272 ARG R G G 3 TS+ 0 0 -74.5 4.1 175.4 41.9 116.2 64.2 0 0.0 0 0.0 0 0.0 0 0.0 11 64
273 A 273 TYR Y G G < TS+ 0 0 -129.1 26.5 -169.7 97.8 92.8 93.5 270 -2.2 0 0.0 0 0.0 0 0.0 11 72
274 A 274 SER S g X>T + 0 0 -100.8 -8.7 -174.3 92.3 43.4 57.1 271 -1.7 277 -2.3 0 0.0 279 -0.5 15 69
275 A 275 LEU L T T 35TS+ 0 0 -61.2 -18.4 -178.0 62.3 84.3 41.2 0 0.0 0 0.0 0 0.0 0 0.0 13 82
276 A 276 TRP W T T 35TS+ 0 0 -80.5 -12.0 -178.6 60.0 102.9 53.8 0 0.0 0 0.0 0 0.0 0 0.0 11 82
277 A 277 SER S T g X5TS- 0 0 -95.2 -161.5 168.9 -57.5 121.8 93.3 274 -2.3 280 -2.5 0 0.0 0 0.0 13 71
278 A 278 ALA A G G >5TS+ 0 0 -47.6 -32.0 177.8 75.7 126.8 38.8 0 0.0 281 -2.3 0 0.0 0 0.0 15 73
279 A 279 ILE I G G > X T + 0 0 -75.7 6.9 -177.3 108.8 67.4 68.2 277 -2.5 284 -2.0 0 0.0 283 -1.0 12 84
281 A 281 LEU L H H > < TS+ 0 0 -55.1 -41.8 179.1 52.4 75.8 26.3 278 -2.3 285 -2.6 0 0.0 0 0.0 10 78
282 A 282 SER S H H > < TS+ 0 0 -64.4 -28.2 176.0 54.1 107.4 34.4 279 -0.6 286 -1.7 0 0.0 0 0.0 12 81
283 A 283 ILE I H H > < TS+ 0 0 -65.3 -49.9 -177.1 46.0 109.9 14.7 280 -1.0 287 -2.9 0 0.0 0 0.0 12 73
284 A 284 ALA A H H X TS+ 0 0 -64.4 -36.9 177.1 51.7 111.8 27.8 280 -2.0 288 -2.1 0 0.0 0 0.0 14 69
285 A 285 LEU L H H < TS+ 0 0 -65.1 -36.4 -176.7 42.8 114.8 27.2 281 -2.6 0 0.0 0 0.0 0 0.0 13 68
286 A 286 HIS H H H < TS+ 0 0 -77.8 -42.3 -174.9 19.8 130.9 24.6 282 -1.7 0 0.0 0 0.0 0 0.0 13 60
287 A 287 VAL V H H < TS- 0 0 -110.0 -3.1 179.7 -108.1 110.0 61.9 283 -2.9 0 0.0 0 0.0 0 0.0 15 52
288 A 288 GLY G h X T - 0 0 92.2 156.0 -176.3 -84.5 30.4 86.4 284 -2.1 292 -1.7 0 0.0 0 0.0 12 48
289 A 289 PHE F H H > TS+ 0 0 -69.4 -32.1 179.8 58.3 122.2 35.6 0 0.0 293 -3.0 0 0.0 0 0.0 10 50
290 A 290 ASP D H H > TS+ 0 0 -61.8 -46.7 179.0 45.9 109.8 18.3 0 0.0 294 -2.2 0 0.0 0 0.0 6 40
291 A 291 ASN N H H > TS+ 0 0 -63.6 -36.8 179.2 51.4 111.8 27.1 0 0.0 295 -2.2 0 0.0 0 0.0 12 50
292 A 292 PHE F H H X TS+ 0 0 -67.1 -41.1 176.3 49.5 109.9 22.9 288 -1.7 296 -2.5 0 0.0 0 0.0 12 66
293 A 293 GLU E H H X TS+ 0 0 -64.3 -35.0 176.5 53.1 108.7 30.0 289 -3.0 297 -2.4 0 0.0 0 0.0 8 56
294 A 294 GLN Q H H X TS+ 0 0 -64.8 -38.3 176.5 51.9 107.5 23.8 290 -2.2 298 -2.2 0 0.0 0 0.0 11 50
295 A 295 LEU L H H X TS+ 0 0 -60.6 -47.9 177.3 45.5 111.9 18.5 291 -2.2 299 -1.9 0 0.0 0 0.0 14 65
296 A 296 LEU L H H X TS+ 0 0 -62.0 -39.0 -177.1 54.1 111.1 26.5 292 -2.5 300 -2.5 0 0.0 0 0.0 14 63
297 A 297 SER S H H X TS+ 0 0 -66.5 -37.3 176.6 52.9 104.6 30.8 293 -2.4 301 -2.2 0 0.0 0 0.0 14 47
298 A 298 GLY G H H X TS+ 0 0 -61.5 -43.8 174.9 48.4 110.3 24.2 294 -2.2 302 -2.1 0 0.0 0 0.0 15 54
299 A 299 ALA A H H X TS+ 0 0 -59.7 -43.7 178.6 53.1 109.6 22.3 295 -1.9 303 -2.4 0 0.0 0 0.0 16 59
300 A 300 HIS H H H X TS+ 0 0 -60.5 -39.1 176.2 53.4 105.9 28.8 296 -2.5 304 -2.0 0 0.0 0 0.0 13 52
301 A 301 TRP W H H X TS+ 0 0 -58.1 -48.2 -177.5 45.6 111.3 18.1 297 -2.2 305 -2.3 0 0.0 0 0.0 10 51
302 A 302 MET M H H X TS+ 0 0 -67.6 -33.2 177.4 57.1 107.9 31.5 298 -2.1 306 -3.0 0 0.0 0 0.0 12 64
303 A 303 ASP D H H X TS+ 0 0 -62.1 -41.2 -179.4 46.8 108.8 24.6 299 -2.4 307 -2.4 0 0.0 0 0.0 11 61
304 A 304 GLN Q H H X TS+ 0 0 -69.8 -37.0 175.6 51.3 111.4 27.4 300 -2.0 308 -1.9 0 0.0 0 0.0 8 49
305 A 305 HIS H H H X TS+ 0 0 -59.4 -49.1 -176.7 44.4 113.7 18.4 301 -2.3 309 -1.9 0 0.0 0 0.0 9 51
306 A 306 PHE F H H < TS+ 0 0 -64.4 -38.8 -175.9 48.2 115.3 27.2 302 -3.0 0 0.0 0 0.0 0 0.0 13 55
307 A 307 ARG R H H < TS+ 0 0 -73.9 -30.1 -170.5 27.4 122.8 37.1 303 -2.4 0 0.0 0 0.0 0 0.0 8 46
308 A 308 THR T H H < TS+ 0 0 -116.6 -5.0 -178.2 99.0 91.9 54.9 304 -1.9 0 0.0 0 0.0 0 0.0 6 30
309 A 309 THR T S h < TS- 0 0 -88.0 132.9 175.3 -106.3 79.0 129.8 305 -1.9 0 0.0 0 0.0 0 0.0 8 35
310 A 310 PRO P g > T - 0 0 -51.7 143.2 -172.4 -113.3 36.5 105.0 0 0.0 313 -2.3 0 0.0 0 0.0 6 34
311 A 311 LEU L G G > TS+ 0 0 -52.5 -39.7 -173.4 63.0 111.1 35.6 0 0.0 314 -1.7 0 0.0 0 0.0 8 48
312 A 312 GLU E G G 3 TS+ 0 0 -67.4 -11.9 179.4 30.4 116.5 53.7 0 0.0 0 0.0 0 0.0 0 0.0 8 45
313 A 313 LYS K G G < TS+ 0 0 -130.1 24.0 -174.9 116.4 90.4 84.8 310 -2.3 315 -0.6 0 0.0 0 0.0 8 44
314 A 314 ASN N h > < T - 0 0 -102.1 112.1 -169.1 -149.9 55.4 145.0 311 -1.7 318 -2.5 0 0.0 0 0.0 11 56
315 A 315 ALA A H H > TS+ 0 0 -57.6 -53.2 178.8 43.9 92.5 25.2 313 -0.6 319 -2.7 0 0.0 0 0.0 10 63
316 A 316 PRO P H H > TS+ 0 0 -58.6 -36.5 -179.7 52.5 114.9 29.0 0 0.0 320 -2.3 0 0.0 0 0.0 12 63
317 A 317 VAL V H H > TS+ 0 0 -64.1 -44.7 -176.4 45.8 110.5 21.3 0 0.0 321 -2.7 0 0.0 0 0.0 13 63
318 A 318 LEU L H H X TS+ 0 0 -69.3 -39.6 176.2 50.4 112.4 23.0 314 -2.5 322 -2.5 0 0.0 0 0.0 12 69
319 A 319 LEU L H H X TS+ 0 0 -60.9 -41.7 178.1 48.5 113.0 22.9 315 -2.7 323 -1.7 0 0.0 0 0.0 9 74
320 A 320 ALA A H H X TS+ 0 0 -60.1 -47.8 -176.0 48.8 111.1 22.4 316 -2.3 324 -2.0 0 0.0 0 0.0 12 73
321 A 321 LEU L H H X TS+ 0 0 -64.4 -37.2 177.0 53.4 107.5 29.5 317 -2.7 325 -2.4 0 0.0 0 0.0 12 76
322 A 322 LEU L H H X TS+ 0 0 -63.2 -39.3 176.4 51.6 109.5 26.1 318 -2.5 326 -2.2 0 0.0 0 0.0 8 75
323 A 323 GLY G H H X TS+ 0 0 -62.2 -42.0 177.3 52.0 106.6 25.7 319 -1.7 327 -2.7 0 0.0 0 0.0 9 68
324 A 324 ILE I H H X >TS+ 0 0 -59.3 -42.6 -179.9 52.6 108.6 21.7 320 -2.0 328 -2.8 0 0.0 329 -0.6 10 69
325 A 325 TRP W H H X >TS+ 0 0 -59.6 -47.6 -178.4 40.5 114.6 21.2 321 -2.4 330 -2.0 0 0.0 329 -1.3 10 68
326 A 326 TYR Y H H < 5TS+ 0 0 -72.7 -31.8 -179.6 40.3 122.7 30.1 322 -2.2 332 -2.6 0 0.0 0 0.0 11 57
327 A 327 ILE I H H < 5TS+ 0 0 -79.5 -53.4 -173.2 29.7 125.4 16.5 323 -2.7 0 0.0 0 0.0 0 0.0 13 54
328 A 328 ASN N H H < 5TS+ 0 0 -89.8 -15.4 175.6 27.3 133.7 49.5 324 -2.8 0 0.0 0 0.0 0 0.0 11 56
329 A 329 CYS C T h < T - 0 0 -167.5 117.2 -177.7 -151.9 64.5 146.7 339 -1.8 344 -0.7 0 0.0 0 0.0 10 59
342 A 342 GLN Q G G > TS+ 0 0 -68.0 -31.1 176.2 62.1 99.2 33.9 0 0.0 345 -1.7 0 0.0 0 0.0 8 48
343 A 343 TYR Y G G 3 TS+ 0 0 -61.7 -30.8 177.8 55.0 101.4 30.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
344 A 344 LEU L G G X TS+ 0 0 -86.5 25.9 -177.9 125.3 70.4 85.4 341 -0.7 347 -2.3 0 0.0 0 0.0 12 55
345 A 345 HIS H T g < TS+ 0 0 -63.1 -16.7 177.9 41.9 77.1 45.6 342 -1.7 0 0.0 0 0.0 0 0.0 13 41
346 A 346 ARG R T h > 3 TS+ 0 0 -111.1 14.0 179.1 96.9 87.3 76.5 0 0.0 350 -1.8 0 0.0 0 0.0 11 45
347 A 347 PHE F H H > < TS+ 0 0 -66.1 -49.2 177.9 46.3 84.9 21.0 344 -2.3 351 -2.0 0 0.0 0 0.0 9 63
348 A 348 ALA A H H > TS+ 0 0 -60.8 -40.4 179.2 52.6 111.9 23.5 0 0.0 352 -1.6 0 0.0 0 0.0 15 56
349 A 349 ALA A H H > TS+ 0 0 -63.7 -35.9 176.3 53.0 107.2 26.0 0 0.0 353 -1.2 0 0.0 0 0.0 10 48
350 A 350 TYR Y H H X TS+ 0 0 -61.9 -45.0 -178.9 46.0 110.7 22.0 346 -1.8 354 -2.5 0 0.0 0 0.0 11 57
351 A 351 PHE F H H X >TS+ 0 0 -77.1 -14.2 170.4 72.7 96.6 47.0 347 -2.0 355 -2.8 0 0.0 356 -0.7 10 64
352 A 352 GLN Q H H X >TS+ 0 0 -60.1 -46.2 171.2 33.0 110.2 14.1 348 -1.6 356 -1.5 0 0.0 357 -0.5 12 48
353 A 353 GLN Q H H X >TS+ 0 0 -68.3 -51.5 -176.0 52.1 119.1 15.9 349 -1.2 357 -1.9 0 0.0 358 -0.6 12 53
354 A 354 GLY G H H < 5TS+ 0 0 -53.5 -43.1 -177.6 27.3 123.6 25.5 350 -2.5 0 0.0 0 0.0 0 0.0 12 64
355 A 355 ASP D H H X 5TS+ 0 0 -85.5 -53.9 -172.4 42.2 125.6 15.2 351 -2.8 359 -3.0 0 0.0 0 0.0 14 62
356 A 356 MET M H H X T - 0 0 -87.3 176.7 179.4 -95.0 32.6 106.2 368 -3.1 367 -2.0 0 0.0 0 0.0 14 41
365 A 365 LYS K T T 3 TS+ 0 0 -58.8 -27.2 -177.8 57.1 126.2 37.8 505 -1.9 0 0.0 0 0.0 0 0.0 9 38
366 A 366 SER S T T 3 TS- 0 0 -86.3 0.9 179.4 -111.3 119.6 63.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
367 A 367 GLY G S t < TS+ 0 0 80.7 13.4 -177.6 124.3 79.2 52.4 364 -2.0 0 0.0 0 0.0 0 0.0 6 23
368 A 368 THR T - 0 0 -103.6 159.4 -178.1 -101.5 65.9 130.3 0 0.0 364 -3.1 0 0.0 0 0.0 8 23
369 A 369 ARG R B B C - 363 0 -82.5 142.7 174.5 -112.5 34.9 126.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
370 A 370 VAL V - 0 0 -66.0 148.7 173.5 -162.0 17.8 113.9 362 -2.8 0 0.0 0 0.0 0 0.0 9 33
371 A 371 ASP D S S S+ 0 0 -119.1 35.5 179.7 55.3 73.9 99.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
372 A 372 HIS H S S S- 0 0 -154.0 168.1 178.0 -76.2 97.6 159.4 0 0.0 0 0.0 0 0.0 0 0.0 6 42
373 A 373 GLN Q - 0 0 -70.5 151.2 169.6 -175.6 41.7 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
374 A 374 THR T + 0 0 -118.5 -138.0 -168.1 5.2 50.0 98.7 0 0.0 0 0.0 0 0.0 0 0.0 11 54
375 A 375 GLY G - 0 0 -54.4 146.2 179.2 -129.0 69.1 88.7 359 -2.3 0 0.0 0 0.0 0 0.0 9 64
376 A 376 PRO P - 0 0 -86.9 167.4 169.9 -98.0 25.9 112.7 0 0.0 378 -0.6 0 0.0 0 0.0 13 57
377 A 377 ILE I E E Ah - 334 0 -80.5 119.7 -179.9 -151.9 43.7 140.9 333 -2.8 335 -2.4 0 0.0 0 0.0 9 43
378 A 378 VAL V E E Ah + 335 0 -98.1 139.8 -178.1 146.4 28.6 143.5 376 -0.6 0 0.0 0 0.0 0 0.0 13 45
379 A 379 TRP W E E Ah + 336 0 -159.2 171.0 176.4 129.1 4.5 163.2 335 -1.6 337 -2.6 0 0.0 0 0.0 11 44
380 A 380 GLY G - 0 0 154.8 168.8 174.3 -134.8 31.9 145.9 0 0.0 0 0.0 0 0.0 0 0.0 10 49
381 A 381 GLU E - 0 0 -143.9 155.8 179.4 -84.2 44.6 161.4 0 0.0 0 0.0 0 0.0 0 0.0 12 43
382 A 382 PRO P t > T - 0 0 -64.4 146.8 171.6 -81.2 59.6 108.3 0 0.0 386 -1.7 0 0.0 0 0.0 13 45
383 A 383 GLY G T T 4 TS+ 0 0 -80.8 150.1 3.7 25.8 106.8 130.5 339 -1.6 0 0.0 0 0.0 0 0.0 13 50
384 A 384 THR T T g > > TS+ 0 0 -88.2 1.6 -176.6 61.5 117.3 178.0 0 0.0 387 -1.5 0 0.0 388 -0.6 10 41
385 A 385 ASN N G G 4 > TS+ 0 0 -49.5 -46.8 -179.0 57.3 99.2 28.1 0 0.0 388 -1.7 0 0.0 0 0.0 8 36
386 A 386 GLY G G G X > TS+ 0 0 -57.5 -31.4 176.9 66.5 94.8 39.6 382 -1.7 390 -2.1 0 0.0 389 -1.7 12 39
387 A 387 GLN Q G G 4 < TS+ 0 0 -55.4 -32.4 -178.8 44.5 105.2 40.1 384 -1.5 0 0.0 0 0.0 0 0.0 9 40
388 A 388 HIS H G G < < TS+ 0 0 -97.4 10.7 177.6 38.1 122.0 80.3 385 -1.7 0 0.0 384 -0.6 0 0.0 8 22
389 A 389 ALA A T g 4 < TS- 0 0 -122.3 -59.7 -170.6 -7.4 131.4 49.8 386 -1.7 0 0.0 0 0.0 0 0.0 7 21
390 A 390 PHE F S h X > TS+ 0 0 -129.1 0.2 -177.6 97.3 95.1 63.8 386 -2.1 394 -1.3 0 0.0 393 -1.1 8 30
391 A 391 TYR Y H H > 3 TS+ 0 0 -68.6 -21.4 172.8 74.4 74.2 38.9 0 0.0 395 -2.9 0 0.0 0 0.0 9 47
392 A 392 GLN Q H H > 3 TS+ 0 0 -47.9 -45.8 -177.9 43.6 101.2 21.8 0 0.0 396 -2.5 0 0.0 0 0.0 10 34
393 A 393 LEU L H H > < TS+ 0 0 -72.3 -37.6 177.4 55.2 109.6 28.5 390 -1.1 397 -2.1 0 0.0 0 0.0 9 33
394 A 394 ILE I H H < TS+ 0 0 -60.1 -40.8 -178.5 35.1 118.6 22.2 390 -1.3 0 0.0 0 0.0 0 0.0 10 49
395 A 395 HIS H H H < TS+ 0 0 -80.1 -36.2 -169.2 13.1 137.7 32.5 391 -2.9 0 0.0 0 0.0 0 0.0 11 39
396 A 396 GLN Q H H < TS+ 0 0 -136.1 16.6 172.1 95.7 100.3 80.0 392 -2.5 0 0.0 0 0.0 0 0.0 8 35
397 A 397 GLY G S h < TS- 0 0 -88.0 -158.0 -177.1 -103.4 81.4 90.4 393 -2.1 0 0.0 0 0.0 0 0.0 7 27
398 A 398 THR T S S S+ 0 0 -118.1 17.0 179.3 95.3 85.6 81.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
399 A 399 LYS K - 0 0 -110.6 142.5 171.4 -139.3 65.0 153.1 0 0.0 401 -0.5 0 0.0 0 0.0 7 32
400 A 400 MET M - 0 0 -96.2 126.0 -172.0 -178.8 28.9 150.8 0 0.0 0 0.0 0 0.0 0 0.0 7 50
401 A 401 ILE I - 0 0 -135.3 99.7 174.4 -144.7 21.7 151.1 399 -0.5 0 0.0 0 0.0 0 0.0 12 52
402 A 402 PRO P e - 0 0 -60.0 133.5 180.0 -164.1 27.4 114.9 0 0.0 336 -2.5 0 0.0 0 0.0 13 64
403 A 403 CYS C E E Aij - 336 473 -127.3 137.6 169.0 -151.6 19.9 171.6 472 -1.0 474 -2.4 0 0.0 405 -0.6 11 71
404 A 404 ASP D E E Aij - 337 474 -102.6 121.0 176.1 -162.8 14.8 160.0 336 -2.7 338 -3.0 0 0.0 0 0.0 13 75
405 A 405 PHE F E E Aij - 338 475 -100.1 128.1 -179.9 -174.5 12.3 150.8 474 -3.1 476 -3.1 403 -0.6 0 0.0 14 64
406 A 406 LEU L E E Aij + 339 476 -124.8 143.9 174.0 158.1 10.0 164.1 338 -1.7 340 -3.5 0 0.0 0 0.0 11 66
407 A 407 ILE I E E A j - 0 477 -159.1 145.0 166.9 -125.3 34.9 162.5 476 -2.0 478 -2.0 0 0.0 0 0.0 12 61
408 A 408 PRO P E E A j - 0 478 -82.0 141.0 175.3 -143.5 17.2 135.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
409 A 409 VAL V E E A * S+ 0 0 -65.5 -44.0 -177.9 51.2 89.2 24.5 478 -3.1 0 0.0 0 0.0 0 0.0 9 41
410 A 410 GLN Q E E A j S- 0 480 -101.1 132.7 176.6 -142.4 81.5 148.7 479 -2.6 481 -0.6 0 0.0 0 0.0 7 42
411 A 411 THR T - 0 0 -88.5 153.0 174.4 -135.1 14.8 124.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
412 A 412 GLN Q S S S+ 0 0 -73.2 -16.5 -175.2 41.7 105.1 46.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
413 A 413 HIS H - 0 0 -135.8 78.7 -174.4 -179.1 66.2 133.2 0 0.0 415 -2.5 0 0.0 0 0.0 4 30
414 A 414 PRO P g > > T + 0 0 -78.8 55.1 -178.3 167.7 25.7 104.6 0 0.0 418 -0.5 0 0.0 417 -0.5 10 23
415 A 415 ILE I G G 4 >>T + 0 0 -68.0 161.9 -179.0 24.6 55.8 100.5 413 -2.5 418 -1.3 0 0.0 420 -0.7 7 14
416 A 416 ARG R G G 4 >5TS- 0 0 49.7 43.4 178.1 -61.6 136.4 29.5 0 0.0 419 -1.6 0 0.0 0 0.0 6 14
417 A 417 LYS K G G 4 <5TS- 0 0 53.7 34.3 176.1 -53.0 102.3 36.2 414 -0.5 0 0.0 0 0.0 0 0.0 5 14
418 A 418 GLY G G h X <5TS+ 0 0 85.2 8.4 -175.8 132.7 100.9 58.6 415 -1.3 422 -2.3 414 -0.5 0 0.0 8 18
419 A 419 LEU L H H > <5TS+ 0 0 -61.1 -44.1 -177.5 49.9 71.5 27.2 416 -1.6 423 -2.2 0 0.0 0 0.0 9 18
420 A 420 HIS H H H > TS+ 0 0 -68.8 -34.7 176.5 56.0 107.8 30.3 0 0.0 425 -2.8 0 0.0 0 0.0 9 36
422 A 422 LYS K H H X TS+ 0 0 -61.3 -41.6 -179.6 45.6 110.7 22.1 418 -2.3 426 -2.4 0 0.0 0 0.0 8 27
423 A 423 ILE I H H X TS+ 0 0 -68.6 -40.0 178.4 52.7 111.3 24.0 419 -2.2 427 -2.3 0 0.0 0 0.0 8 30
424 A 424 LEU L H H X TS+ 0 0 -58.2 -47.5 178.5 45.7 111.8 19.7 420 -2.4 428 -2.4 0 0.0 0 0.0 11 43
425 A 425 LEU L H H X TS+ 0 0 -62.0 -42.5 -178.0 55.3 109.0 27.3 421 -2.8 429 -2.5 0 0.0 0 0.0 10 41
426 A 426 ALA A H H X TS+ 0 0 -61.6 -41.2 176.6 45.5 110.8 25.9 422 -2.4 430 -2.5 0 0.0 0 0.0 8 31
427 A 427 ASN N H H X TS+ 0 0 -66.7 -41.3 177.3 54.5 109.6 24.0 423 -2.3 431 -2.2 0 0.0 0 0.0 9 35
428 A 428 PHE F H H X TS+ 0 0 -55.1 -45.3 -178.4 39.4 115.8 23.1 424 -2.4 432 -1.0 0 0.0 0 0.0 13 48
429 A 429 LEU L H H X TS+ 0 0 -72.6 -42.8 -175.4 51.9 114.6 25.5 425 -2.5 433 -1.9 0 0.0 0 0.0 8 43
430 A 430 ALA A H H X TS+ 0 0 -66.1 -33.5 -174.1 58.3 103.4 35.7 426 -2.5 434 -2.7 0 0.0 0 0.0 8 39
431 A 431 GLN Q H H X TS+ 0 0 -69.1 -42.7 179.7 40.5 110.0 24.3 427 -2.2 435 -2.3 0 0.0 0 0.0 8 54
432 A 432 THR T H H X TS+ 0 0 -73.0 -33.5 175.4 53.4 114.9 30.1 428 -1.0 436 -1.9 0 0.0 0 0.0 13 59
433 A 433 GLU E H H X TS+ 0 0 -61.0 -43.6 -179.6 45.8 112.4 21.6 429 -1.9 437 -3.1 0 0.0 0 0.0 8 44
434 A 434 ALA A H H X TS+ 0 0 -65.2 -44.3 178.6 53.9 108.7 26.3 430 -2.7 438 -2.3 0 0.0 0 0.0 9 43
435 A 435 LEU L H H < TS+ 0 0 -58.6 -35.6 179.4 40.4 116.5 29.9 431 -2.3 471 -2.4 0 0.0 0 0.0 13 53
436 A 436 MET M H H < TS+ 0 0 -77.8 -48.3 -166.5 36.2 122.5 20.6 432 -1.9 470 -2.1 0 0.0 0 0.0 13 49
437 A 437 ARG R H H < TS+ 0 0 -81.0 -37.5 -172.5 177.8 77.6 28.4 433 -3.1 0 0.0 0 0.0 0 0.0 11 39
438 A 438 GLY G h < T - 0 0 61.6 -157.3 -176.3 -92.8 35.7 102.9 434 -2.3 0 0.0 0 0.0 0 0.0 11 40
439 A 439 LYS K B B D - 467 0 -159.9 117.6 -175.1 -134.2 34.4 151.6 467 -2.6 467 -2.2 0 0.0 0 0.0 11 34
440 A 440 SER S h > T - 0 0 -75.3 166.7 172.1 -103.3 28.6 101.4 0 0.0 444 -2.8 0 0.0 0 0.0 9 29
441 A 441 THR T H H > TS+ 0 0 -48.4 -48.5 -176.3 47.4 123.6 21.3 0 0.0 445 -2.6 0 0.0 0 0.0 10 25
442 A 442 GLU E H H > TS+ 0 0 -68.3 -37.8 177.7 51.5 110.3 27.5 0 0.0 446 -2.5 0 0.0 0 0.0 6 23
443 A 443 GLU E H H > TS+ 0 0 -62.3 -43.2 -177.9 44.9 113.5 21.4 0 0.0 447 -1.9 0 0.0 0 0.0 8 26
444 A 444 ALA A H H X TS+ 0 0 -69.2 -36.6 178.0 53.4 111.3 29.0 440 -2.8 448 -2.2 0 0.0 0 0.0 12 31
445 A 445 ARG R H H X TS+ 0 0 -60.5 -48.1 178.9 51.9 106.9 20.1 441 -2.6 449 -2.6 0 0.0 0 0.0 10 29
446 A 446 LYS K H H X TS+ 0 0 -54.9 -45.7 179.1 49.3 110.4 24.6 442 -2.5 450 -2.6 0 0.0 0 0.0 8 24
447 A 447 GLU E H H X TS+ 0 0 -61.5 -43.5 -179.3 48.1 111.0 25.5 443 -1.9 451 -1.3 0 0.0 0 0.0 8 27
448 A 448 LEU L H H < >TS+ 0 0 -66.3 -37.8 179.7 49.7 112.2 27.8 444 -2.2 453 -2.0 0 0.0 0 0.0 11 27
449 A 449 GLN Q H H < >5TS+ 0 0 -66.7 -47.5 180.0 50.3 109.4 16.7 445 -2.6 452 -2.2 0 0.0 0 0.0 10 23
450 A 450 ALA A H H < 35TS+ 0 0 -61.7 -23.1 -179.6 59.5 105.1 38.9 446 -2.6 0 0.0 0 0.0 0 0.0 7 16
451 A 451 ALA A T h < 35TS- 0 0 -84.9 0.4 178.4 -109.1 120.7 64.1 447 -1.3 0 0.0 0 0.0 0 0.0 6 19
452 A 452 GLY G T T <5T + 0 0 82.3 22.2 176.7 161.4 58.8 46.0 449 -2.2 0 0.0 0 0.0 0 0.0 6 17
453 A 453 LYS K t T - 0 0 -73.2 162.8 177.7 -103.2 28.6 106.4 0 0.0 458 -2.8 0 0.0 0 0.0 7 17
455 A 455 PRO P H H > TS+ 0 0 -54.2 -49.3 -177.7 47.7 121.2 21.2 0 0.0 459 -2.7 0 0.0 0 0.0 6 19
456 A 456 GLU E H H > TS+ 0 0 -61.5 -43.3 -178.3 44.6 115.8 20.7 0 0.0 460 -1.7 0 0.0 0 0.0 6 15
457 A 457 ASP D H H > TS+ 0 0 -69.4 -37.5 177.7 49.3 113.6 31.0 0 0.0 461 -2.1 0 0.0 0 0.0 8 21
458 A 458 LEU L H H X TS+ 0 0 -63.5 -45.6 -171.5 55.3 107.6 18.0 454 -2.8 462 -3.0 0 0.0 0 0.0 12 25
459 A 459 GLU E H H < TS+ 0 0 -60.7 -37.1 -178.2 41.6 112.7 25.9 455 -2.7 0 0.0 0 0.0 0 0.0 8 24
460 A 460 ARG R H H < TS+ 0 0 -76.7 -41.0 -175.6 37.7 122.0 21.3 456 -1.7 0 0.0 0 0.0 0 0.0 7 18
461 A 461 LEU L H H X > TS+ 0 0 -79.7 -34.6 -175.7 80.5 97.0 32.4 457 -2.1 464 -1.3 0 0.0 465 -0.6 8 26
462 A 462 LEU L G h < > TS+ 0 0 -42.9 -52.5 -173.5 55.5 84.7 35.1 458 -3.0 465 -1.9 0 0.0 0 0.0 12 30
463 A 463 PRO P G G 4 > TS+ 0 0 -58.3 -33.5 -178.1 56.1 104.5 31.4 0 0.0 466 -1.2 0 0.0 0 0.0 8 28
464 A 464 HIS H G G 4 < TS+ 0 0 -71.6 -14.0 -178.6 59.8 100.9 50.7 461 -1.3 0 0.0 0 0.0 0 0.0 5 28
465 A 465 LYS K G G < < TS+ 0 0 -94.1 0.9 -177.5 106.7 81.3 66.8 462 -1.9 0 0.0 461 -0.6 0 0.0 9 34
466 A 466 VAL V g < T - 0 0 -87.0 138.7 176.8 -161.4 51.6 128.9 463 -1.2 0 0.0 0 0.0 0 0.0 11 35
467 A 467 PHE F B B D - 439 0 -118.6 122.7 -177.6 -159.6 8.4 168.2 439 -2.2 439 -2.6 0 0.0 0 0.0 9 40
468 A 468 GLU E - 0 0 -73.4 -25.8 178.9 -178.8 28.0 38.9 0 0.0 0 0.0 0 0.0 0 0.0 10 40
469 A 469 GLY G + 0 0 64.7 -149.6 -178.3 121.5 39.9 106.7 0 0.0 0 0.0 0 0.0 0 0.0 11 46
470 A 470 ASN N + 0 0 59.6 28.9 -175.1 144.7 42.0 39.0 436 -2.1 0 0.0 0 0.0 0 0.0 11 47
471 A 471 ARG R - 0 0 -105.0 113.8 -167.8 -135.6 43.5 151.8 435 -2.4 0 0.0 0 0.0 0 0.0 12 56
472 A 472 PRO P e + 0 0 -82.2 148.0 -179.0 171.3 27.2 112.7 0 0.0 403 -1.0 0 0.0 0 0.0 14 64
473 A 473 THR T E E A j - 0 403 -143.1 157.1 162.7 -135.7 27.5 161.0 56 -1.9 0 0.0 0 0.0 0 0.0 13 64
474 A 474 ASN N E E A j - 0 404 -105.4 144.9 172.3 -154.2 18.2 162.4 403 -2.4 405 -3.1 0 0.0 476 -0.5 14 62
475 A 475 SER S E E ABj - 53 405 -118.8 122.8 -178.5 -172.8 9.4 168.8 53 -2.5 53 -3.0 0 0.0 477 -0.6 12 61
476 A 476 ILE I E E ABj + 52 406 -117.8 114.5 -173.2 178.6 8.2 162.5 405 -3.1 407 -2.0 474 -0.5 0 0.0 12 62
477 A 477 VAL V E E ABj - 51 407 -123.5 131.5 -176.9 -178.3 1.4 161.9 51 -2.3 51 -3.3 475 -0.6 0 0.0 11 56
478 A 478 PHE F E E ABj - 50 408 -132.5 156.6 -172.1 -111.5 36.4 155.4 407 -2.0 409 -3.1 0 0.0 0 0.0 13 51
479 A 479 THR T E E A * S- 0 0 -53.8 -52.4 -177.9 -24.2 88.3 25.2 49 -1.9 410 -2.6 0 0.0 0 0.0 10 39
480 A 480 LYS K E E A j - 0 410 -160.7 147.2 178.2 -108.9 60.9 165.8 0 0.0 482 -1.8 0 0.0 0 0.0 11 47
481 A 481 LEU L e + 0 0 -86.0 82.4 174.3 152.8 58.2 126.2 410 -0.6 0 0.0 0 0.0 0 0.0 12 54
482 A 482 THR T h > T - 0 0 -96.0 170.2 176.6 -96.7 62.8 119.5 480 -1.8 486 -2.8 0 0.0 0 0.0 7 53
483 A 483 PRO P H H > TS+ 0 0 -55.3 -43.7 -178.5 48.9 126.1 19.7 0 0.0 487 -2.3 0 0.0 0 0.0 12 61
484 A 484 PHE F H H > TS+ 0 0 -63.0 -47.2 -177.2 46.8 112.0 21.0 0 0.0 488 -2.1 0 0.0 0 0.0 15 53
485 A 485 MET M H H > TS+ 0 0 -65.0 -39.2 179.1 53.2 110.3 25.4 0 0.0 489 -2.6 0 0.0 0 0.0 14 58
486 A 486 LEU L H H X TS+ 0 0 -61.1 -42.9 178.0 50.9 108.5 19.3 482 -2.8 490 -2.7 0 0.0 0 0.0 11 75
487 A 487 GLY G H H X TS+ 0 0 -59.0 -43.0 177.9 49.2 110.2 24.4 483 -2.3 491 -2.2 0 0.0 0 0.0 14 70
488 A 488 ALA A H H X TS+ 0 0 -61.5 -43.9 -178.4 48.7 112.3 22.7 484 -2.1 492 -2.1 0 0.0 0 0.0 15 67
489 A 489 LEU L H H X TS+ 0 0 -66.5 -40.9 178.8 48.2 110.9 26.9 485 -2.6 493 -1.7 0 0.0 0 0.0 11 76
490 A 490 VAL V H H X TS+ 0 0 -65.2 -43.7 -179.7 48.7 112.6 20.0 486 -2.7 494 -2.2 0 0.0 0 0.0 9 73
491 A 491 ALA A H H X TS+ 0 0 -63.0 -34.3 179.6 60.8 105.1 29.7 487 -2.2 495 -2.5 0 0.0 0 0.0 11 63
492 A 492 MET M H H X TS+ 0 0 -58.0 -47.4 179.4 41.8 108.5 20.5 488 -2.1 496 -1.9 0 0.0 0 0.0 14 70
493 A 493 TYR Y H H X TS+ 0 0 -70.4 -35.3 173.5 59.4 109.2 29.7 489 -1.7 497 -2.4 0 0.0 0 0.0 9 71
494 A 494 GLU E H H X TS+ 0 0 -53.4 -47.1 -177.2 43.6 110.4 18.7 490 -2.2 498 -2.0 0 0.0 0 0.0 11 74
495 A 495 HIS H H H X TS+ 0 0 -72.2 -31.5 173.2 56.9 108.0 31.8 491 -2.5 499 -2.4 0 0.0 0 0.0 11 68
496 A 496 LYS K H H X TS+ 0 0 -57.0 -47.6 -177.3 48.1 109.2 18.8 492 -1.9 500 -2.3 0 0.0 0 0.0 13 72
497 A 497 ILE I H H X TS+ 0 0 -62.9 -39.1 176.3 53.4 109.4 25.9 493 -2.4 501 -2.3 0 0.0 0 0.0 14 67
498 A 498 PHE F H H X TS+ 0 0 -58.4 -50.1 -175.5 48.7 108.5 20.6 494 -2.0 502 -2.2 0 0.0 0 0.0 9 71
499 A 499 VAL V H H X TS+ 0 0 -61.7 -43.2 179.4 50.2 110.8 22.5 495 -2.4 503 -2.3 0 0.0 0 0.0 12 68
500 A 500 GLN Q H H X TS+ 0 0 -60.9 -42.1 178.7 52.8 108.9 22.5 496 -2.3 504 -2.6 0 0.0 0 0.0 13 69
501 A 501 GLY G H H X >TS+ 0 0 -61.4 -41.1 178.0 48.9 108.9 26.2 497 -2.3 506 -1.9 0 0.0 505 -0.8 13 69
502 A 502 ILE I H H < >5TS+ 0 0 -65.6 -42.3 178.8 50.9 110.4 21.5 498 -2.2 505 -0.8 0 0.0 0 0.0 13 66
503 A 503 ILE I H H < 35TS+ 0 0 -60.7 -41.1 177.6 45.9 112.9 22.1 499 -2.3 0 0.0 0 0.0 0 0.0 13 69
504 A 504 TRP W H H < 35TS- 0 0 -76.2 -9.4 179.8 -127.3 108.6 54.1 500 -2.6 0 0.0 0 0.0 0 0.0 10 64
505 A 505 ASP D T h < <5T + 0 0 67.7 27.5 177.2 128.9 65.9 39.7 502 -0.8 365 -1.9 501 -0.8 0 0.0 11 56
506 A 506 ILE I t T - 0 0 -97.2 107.6 -178.2 -173.0 28.1 148.5 0 0.0 510 -0.7 0 0.0 0 0.0 16 61
508 A 508 SER S T T 3 TS+ 0 0 -75.1 -2.3 -164.6 58.8 77.2 58.6 506 -0.8 0 0.0 0 0.0 0 0.0 12 63
509 A 509 PHE F T T 3 TS+ 0 0 -118.4 -2.2 173.2 65.9 89.8 62.7 0 0.0 0 0.0 0 0.0 0 0.0 8 63
510 A 510 ASP D t < T - 0 0 -106.1 -178.2 177.9 -159.5 54.2 116.8 507 -0.7 0 0.0 0 0.0 0 0.0 9 51
511 A 511 GLN Q g > T + 0 0 -161.2 60.3 -178.8 152.7 27.9 100.8 0 0.0 514 -1.5 0 0.0 0 0.0 7 45
512 A 512 TRP W G G > T + 0 0 -65.8 -18.4 -176.7 79.4 63.9 43.6 0 0.0 515 -1.5 0 0.0 0 0.0 5 31
513 A 513 GLY G G G 3 TS+ 0 0 -71.1 -7.7 177.7 60.6 83.8 56.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
514 A 514 VAL V G h > < TS+ 0 0 -92.7 -7.6 -173.3 79.1 86.7 53.3 511 -1.5 518 -1.2 0 0.0 0 0.0 7 29
515 A 515 GLU E H H > < TS+ 0 0 -68.7 -44.8 -173.3 55.7 83.4 28.3 512 -1.5 519 -2.5 0 0.0 0 0.0 7 19
516 A 516 LEU L H H > TS+ 0 0 -59.8 -45.9 -179.0 48.8 107.8 22.7 0 0.0 520 -2.7 0 0.0 0 0.0 7 13
517 A 517 GLY G H H > TS+ 0 0 -63.9 -35.8 177.3 51.2 110.8 29.6 0 0.0 521 -2.0 0 0.0 0 0.0 7 18
518 A 518 LYS K H H X TS+ 0 0 -64.4 -43.4 178.7 48.7 111.3 22.5 514 -1.2 522 -1.8 0 0.0 0 0.0 8 21
519 A 519 GLN Q H H X TS+ 0 0 -59.8 -47.3 -174.9 47.0 112.2 21.2 515 -2.5 523 -1.3 0 0.0 0 0.0 8 19
520 A 520 LEU L H H X TS+ 0 0 -70.1 -32.3 177.7 55.6 108.2 31.8 516 -2.7 524 -1.8 0 0.0 0 0.0 8 22
521 A 521 ALA A H H X TS+ 0 0 -66.7 -36.6 176.5 55.4 103.2 27.4 517 -2.0 525 -2.4 0 0.0 0 0.0 8 25
522 A 522 LYS K H H < TS+ 0 0 -62.4 -35.9 178.8 48.3 108.8 29.0 518 -1.8 0 0.0 0 0.0 0 0.0 8 22
523 A 523 LYS K H H X TS+ 0 0 -70.2 -37.3 -175.8 45.3 114.6 30.0 519 -1.3 527 -0.5 0 0.0 0 0.0 8 23
524 A 524 ILE I H H X > TS+ 0 0 -77.0 -32.2 -175.7 76.9 94.6 32.5 520 -1.8 528 -0.9 0 0.0 527 -0.7 8 30
525 A 525 GLU E H H < > TS+ 0 0 -47.1 -56.5 -179.9 41.7 98.2 25.3 521 -2.4 528 -1.4 0 0.0 0 0.0 8 30
526 A 526 PRO P H H 4 > TS+ 0 0 -64.1 -26.5 -178.4 64.7 106.7 36.3 0 0.0 529 -1.1 0 0.0 0 0.0 7 24
527 A 527 GLU E H H < < TS+ 0 0 -70.3 -16.3 -178.8 65.0 91.3 48.2 524 -0.7 0 0.0 523 -0.5 0 0.0 8 30
528 A 528 LEU L T h < < TS+ 0 0 -79.3 -20.7 178.0 91.3 84.1 42.4 525 -1.4 0 0.0 524 -0.9 0 0.0 8 30
529 A 529 ASP D S t < TS+ 0 0 -70.8 144.7 174.7 15.7 81.8 115.2 526 -1.1 0 0.0 0 0.0 0 0.0 6 23
530 A 530 GLY G S S S- 0 0 82.4 168.9 -172.1 -84.0 89.2 85.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
531 A 531 SER S S S S+ 0 0 -93.2 -7.6 -173.0 122.8 80.5 57.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
532 A 532 ALA A - 0 0 -65.5 139.3 174.4 -114.8 66.0 105.7 0 0.0 0 0.0 0 0.0 0 0.0 4 24
533 A 533 GLN Q - 0 0 -67.2 142.3 -178.9 -133.6 29.6 114.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
534 A 534 VAL V + 0 0 -103.9 135.8 -177.3 162.4 34.7 147.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
535 A 535 THR T + 0 0 -132.0 8.7 -170.6 101.3 47.5 75.0 0 0.0 0 0.0 0 0.0 0 0.0 7 24
536 A 536 SER S S S S+ 0 0 -80.6 -10.3 -178.7 45.5 78.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
537 A 537 HIS H S S S- 0 0 -116.3 -168.2 172.5 -55.4 103.1 116.9 0 0.0 0 0.0 0 0.0 0 0.0 8 23
538 A 538 ASP D h > T - 0 0 -62.8 162.5 -174.2 -98.9 63.2 103.5 0 0.0 542 -2.6 0 0.0 0 0.0 7 17
539 A 539 ALA A H H > TS+ 0 0 -61.4 -31.2 178.3 51.7 121.0 37.0 0 0.0 543 -2.4 0 0.0 0 0.0 7 14
540 A 540 SER S H H > TS+ 0 0 -70.8 -52.4 177.5 45.1 110.6 15.4 0 0.0 544 -3.0 0 0.0 0 0.0 7 16
541 A 541 THR T H H > TS+ 0 0 -56.3 -43.3 177.6 47.9 116.9 22.6 0 0.0 545 -2.3 0 0.0 0 0.0 8 24
542 A 542 ASN N H H X TS+ 0 0 -61.2 -47.3 -177.0 49.2 111.9 20.7 538 -2.6 546 -2.6 0 0.0 0 0.0 13 28
543 A 543 GLY G H H X TS+ 0 0 -60.9 -40.5 179.1 48.9 111.4 26.5 539 -2.4 547 -2.2 0 0.0 0 0.0 8 23
544 A 544 LEU L H H X TS+ 0 0 -66.1 -44.9 178.3 48.8 111.6 20.9 540 -3.0 548 -2.5 0 0.0 0 0.0 8 26
545 A 545 ILE I H H X TS+ 0 0 -60.7 -44.1 -178.0 50.2 111.5 21.5 541 -2.3 549 -2.7 0 0.0 0 0.0 11 32
546 A 546 ASN N H H X TS+ 0 0 -66.0 -34.9 174.0 49.7 109.9 28.3 542 -2.6 550 -2.3 0 0.0 0 0.0 10 30
547 A 547 PHE F H H X TS+ 0 0 -64.7 -43.6 176.2 52.0 109.9 23.8 543 -2.2 551 -2.4 0 0.0 0 0.0 8 24
548 A 548 ILE I H H X TS+ 0 0 -57.0 -46.7 179.3 47.4 110.9 20.4 544 -2.5 552 -1.3 0 0.0 0 0.0 8 27
549 A 549 LYS K H H < TS+ 0 0 -64.6 -38.5 178.7 49.9 112.1 25.2 545 -2.7 0 0.0 0 0.0 0 0.0 11 26
550 A 550 GLN Q H H < > TS+ 0 0 -63.2 -37.7 -173.0 42.8 115.5 27.5 546 -2.3 553 -0.5 0 0.0 0 0.0 8 22
551 A 551 GLN Q H H < > TS+ 0 0 -88.7 -11.3 -176.3 84.8 88.8 53.4 547 -2.4 554 -0.6 0 0.0 0 0.0 7 19
552 A 552 ARG R T h < 3 TS+ 0 0 -58.4 -29.0 -174.7 44.6 98.2 37.5 548 -1.3 0 0.0 0 0.0 0 0.0 6 19
553 A 553 GLU E T T < TS+ 0 0 -87.2 -29.8 -173.7 116.0 84.8 53.2 550 -0.5 0 0.0 0 0.0 0 0.0 6 16
554 A 554 ALA A t < T - 0 0 -54.1 142.1 -178.9 -142.2 57.4 96.4 551 -0.6 556 -0.7 0 0.0 0 0.0 6 11
555 A 555 ARG R 0 0 -113.6 103.3 -173.3 999.9 999.9 150.4 0 0.0 0 0.0 0 0.0 0 0.0 3 8
556 A 556 VAL V 0 0 -124.7 999.9 999.9 999.9 999.9 82.1 554 -0.7 0 0.0 0 0.0 0 0.0 2 6
1iatA.pdb
1IAT ISOMERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHH HHHHHHHHHHHHHGGG HHHHHHH TTHHHHTEEEEE SS EEEEE SSS HHHHHHHHHHHHHTTHHHHHHHHHTT BTTTTB HH Kabs/Sand
chirality ++++-+++++++++++++++++-+++++++-+++++++----+-+------++++-+--+++++++++++++-++++++++++-+-+++++-+--++++ chirality
bends SSS SSSSSSSSSSSSSSSS SSSSSSS SSSSSSS SS SSS SSSSSSSSSSSSSS SSSSSSSSSS SS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >33X33<>>3<< >33< >33< >33 3-turns
bridge-2 BBBB bridge-2
bridge-1 AAAAA AAAAA A A bridge-1
sheets AAAAA AAAAA sheets
4-turns >>44>>XXXXXXX<<<< >>>>X<<<< >>44<< >>>>XXXXXXX<<<<>>>>XXX<<<< >444< >>4 4-turns
summary hHHHHhHHHHHHHHHHHHHhGGghHHHHHHHhThHHHHhEEEEEeSSeEEEEEe SSS hHHHHHHHHHHHHHhhHHHHHHHHHhTt BTTTTB hHH summary
sequence AALTRDPQFQKLQQWYREHRSELNLRRLFDANKDRFNHFSLTLNTNHGHILVDYSKNLVTEDVMRMLVDLAKSRGVEAARERMFNGEKINYTEGRAVLHV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHT TT EETTEESHHHHHHHHHHHHHHHHHHHTT SB TTS B EEEEE GGGTHHHHHHHHHTGGG TT EEEEE SSHHHHHHHHTT G Kabs/Sand
chirality +++++-+------+--++++++++++++++++++++-++---+-+--++----+--++++++++++++++++++++------++-+-++++++++++--+ chirality
bends SSS SS SSSS SSSSSSSSSSSSSSSSSSSSSS S SSS SSSSSSSSSSSSSS SS SS SSSSSSSSSSSS S bends
turns TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns X33X33< >33< >33< >33< >>3<< >3>X333< >>3<<>> 3-turns
bridge-2 eeeee bridge-2
bridge-1 CC CC B B ddddd ddddd bridge-1
sheets BB BB CCCCC CCCCC sheets
4-turns 4<< >>>>XXXXXXXXXXXXX<<<< >44>X>>XXX<<<< >>>>XX<<<< 4-turns
summary HHhtTTt eEETTEEhHHHHHHHHHHHHHHHHHHHhTtSBtTTt B eEEEEEegGGGhHHHHHHHHHhGGGgTTt EEEEE ShHHHHHHHHhGggG summary
sequence ALRNRSNTPILVDGKDVMPEVNKVLDKMKSFCQRVRSGDWKGYTGKTITDVINIGIGGSDLGPLMVTEALKPYSSGGPRVWYVSNIDGTHIAKTLAQLNP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGEEEEEE SSS HHHHHHHHHHHHHHHHHH GGGHHHHEEEEES HHHHHHHT GGGEEE TTS GGG TTTGGGHHHHHHH HHHHHHHHHHHH Kabs/Sand
chirality ++-----+-+-++-+++++++++++++++++-+-++++++++--+-++++++++-+--+++--+--++--++++++-+++++++++--++++++++++++ chirality
bends SS SSS SSSSSSSSSSSSSSSSSS SSSSSSS S SSSSSSSS SSS SSS SSS SSSSS SSSSSSS SSSSSSSSSSSS bends
turns TTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3<< >33< >>>XX<<< >33< >>3<< >33<>>3>X<<< 3-turns
bridge-2 ffff ggg bridge-2
bridge-1 eeeee ffff ggg bridge-1
sheets CCCCCC CCCCC CCC sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>44<< >>>>X<<<< >>>>X<<>>XXXXXXXXX 4-turns
summary GeEEEEEEeSSS hHHHHHHHHHHHHHHHHHHhgGGhHHHHEEEEEShHHHHHHHhtgGGeEEEetTTtgGGGgTTgGGhHHHHHHHhHHHHHHHHHHHH summary
sequence ESSLFIIASKTFTTQETITNAETAKEWFLQAAKDPSAVAKHFVALSTNTTKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDNFEQLLSGAH sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHS GGG HHHHHHHHHHHHHHTS EEEEEES GGGTTHHHHHHHHHHHHH B TTS B SS EEE TTGGGGTSHHHHHHSS Kabs/Sand
chirality ++++++++--+++-+++++++++++++++-+-+---+--+-+++++++++++++++++++-+--+-+---+--+---++---++++++-+++++++-+-- chirality
bends SSSSSSSSS SSS SSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS SSS SS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns >>555<< >>>55<<< 5-turns
3-turns >>3<< >>3X<3< >33< >>><<<>33< 3-turns
bridge-2 iiii bridge-2
bridge-1 hhh C C hhh bridge-1
sheets AAAAAA AAA sheets
4-turns XXXXX<<<< >>>>XXXXXXXX<<<< >>>>XXXX4>4X4<4X>>><<<< 4-turns
summary HHHHHHHHhgGGGhHHHHHHHHHHHHHHht eEEEEEEegGGGghHHHHHHHHHHHHHh BtTTt B SS EEE tTgGGGGghHHHHHHhS summary
sequence WMDQHFRTTPLEKNAPVLLALLGIWYINCFGCETHAMLPYDQYLHRFAAYFQQGDMESNGKYITKSGTRVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKM sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEEEEEE S GGGGHHHHHHHHHHHHHHHHHHH B HHHHHHHHHHTT HHHHHHHGGGG B EEEEEEEE HHHHHHHHHHHHHHHHHH Kabs/Sand
chirality -----+--+--+-++--++++++++++++++++++++---++++++++++-+--+++++++++++---++-+---+----+-++++++++++++++++++ chirality
bends SS S SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSSS S SSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>><<< >33< >>><<< 3-turns
bridge-2 jjjjjj*j jjjjjj*j bridge-2
bridge-1 iiii D D BBBB bridge-1
sheets AAAAAAAA AAAAAAAA sheets
4-turns >444X>>>XXXXXXXXXXXXX<<<< >>>>XXXX<<<< >>>>X<>>>XXXXXXXXXXXXXXX 4-turns
summary eEEEEEEEE S gGGGhHHHHHHHHHHHHHHHHHHHhBhHHHHHHHHHHhTthHHHHHHHhGGGgB eEEEEEEEEehHHHHHHHHHHHHHHHHHH summary
sequence IPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMRGKSTEEARKELQAAGKSPEDLERLLPHKVFEGNRPTNSIVFTKLTPFMLGALVAMYEHKIFVQ sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HHHHT TT GGGHHHHHHHHHHHHHTSSS SS HHHHHHHHHHHHHTT Kabs/Sand
chirality +++-+--++-+++++++++++++++++++-+--+++--+++++++++++++++- chirality
bends SSSS SS SSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33<>>3<< >>><<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< >>>>XXXX>>>XXXXXXX<<<< 4-turns
summary HHHHhttTTtgGGhHHHHHHHHHHHHHhtSS SShHHHHHHHHHHHHHhTt summary
sequence GIIWDINSFDQWGVELGKQLAKKIEPELDGSAQVTSHDASTNGLINFIKQQREARV sequence
510 520 530 540 550