Secondary structure calculation program - copyright by David Keith Smith, 1989
1f06A.pdb
1F06 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 320
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 0 999.9 113.3 179.4 999.9 999.9 999.9 0 0.0 3 -0.7 0 0.0 0 0.0 3 14
2 A 2 THR T - 0 0 -95.6 114.4 179.8 -133.7 999.9 147.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21
3 A 3 ASN N - 0 0 -63.9 154.7 178.4 -105.7 21.3 101.6 1 -0.7 0 0.0 0 0.0 0 0.0 8 31
4 A 4 ILE I E E Aa - 28 0 -83.3 128.6 179.3 -134.2 30.9 136.6 27 -3.4 29 -2.6 0 0.0 6 -0.7 12 46
5 A 5 ARG R E E Aa - 29 0 -89.0 115.2 -177.8 -177.6 31.9 143.8 0 0.0 60 -3.3 0 0.0 61 -1.8 12 49
6 A 6 VAL V E E Aab - 30 61 -118.7 150.4 177.9 -170.1 14.0 149.9 29 -2.6 31 -2.8 4 -0.7 32 -0.6 14 66
7 A 7 ALA A E E Aab - 32 62 -134.6 153.0 -179.9 -130.7 18.3 162.0 61 -2.0 63 -3.2 0 0.0 0 0.0 13 69
8 A 8 ILE I E E Aab - 33 63 -108.1 132.5 178.8 -160.5 10.8 153.2 32 -2.0 34 -3.5 0 0.0 10 -0.6 15 70
9 A 9 VAL V E E Aab S+ 34 64 -113.9 105.8 -179.1 21.4 70.9 159.5 63 -3.0 65 -3.2 0 0.0 0 0.0 14 68
10 A 10 GLY G e - 0 0 105.2 114.6 -178.3 -140.1 68.2 60.6 34 -2.1 12 -0.7 8 -0.6 0 0.0 12 60
11 A 11 TYR Y + 0 0 -107.8 67.1 178.1 115.0 56.3 121.5 0 0.0 0 0.0 0 0.0 0 0.0 13 46
12 A 12 GLY G S h > TS- 0 0 -105.7 -148.0 179.5 -56.6 89.0 92.5 10 -0.7 16 -2.0 0 0.0 0 0.0 8 41
13 A 13 ASN N H H > TS+ 0 0 -61.4 -48.0 179.6 44.0 139.9 19.5 0 0.0 17 -1.8 0 0.0 0 0.0 7 42
14 A 14 LEU L H H > TS+ 0 0 -62.0 -48.7 179.6 53.1 112.0 20.8 0 0.0 18 -2.5 0 0.0 0 0.0 12 50
15 A 15 GLY G H H > TS+ 0 0 -56.1 -40.2 179.2 47.9 109.6 31.8 0 0.0 19 -1.8 0 0.0 0 0.0 13 62
16 A 16 ARG R H H X TS+ 0 0 -69.8 -36.1 179.0 53.0 110.6 31.0 12 -2.0 20 -2.3 0 0.0 0 0.0 9 46
17 A 17 SER S H H X TS+ 0 0 -65.4 -45.3 -179.7 44.6 110.9 23.3 13 -1.8 21 -2.1 0 0.0 0 0.0 11 48
18 A 18 VAL V H H X TS+ 0 0 -69.1 -33.1 179.1 53.5 112.2 28.8 14 -2.5 22 -1.6 0 0.0 0 0.0 13 56
19 A 19 GLU E H H X TS+ 0 0 -62.2 -52.4 -180.0 43.2 112.8 14.9 15 -1.8 23 -0.6 0 0.0 0 0.0 10 53
20 A 20 LYS K H H < TS+ 0 0 -60.6 -38.5 -178.3 49.5 115.6 32.8 16 -2.3 0 0.0 0 0.0 0 0.0 8 42
21 A 21 LEU L H H < > TS+ 0 0 -79.7 -20.5 179.0 72.2 92.9 47.5 17 -2.1 24 -1.1 0 0.0 0 0.0 11 41
22 A 22 ILE I H H < > TS+ 0 0 -64.7 -27.0 178.9 64.8 89.0 35.7 18 -1.6 25 -1.6 0 0.0 0 0.0 11 45
23 A 23 ALA A T h < 3 TS+ 0 0 -65.9 -25.5 179.0 58.4 95.5 39.5 19 -0.6 0 0.0 0 0.0 0 0.0 8 32
24 A 24 LYS K T T < TS+ 0 0 -83.4 0.1 -179.7 95.3 89.0 64.5 21 -1.1 0 0.0 0 0.0 0 0.0 6 28
25 A 25 GLN Q t X T - 0 0 -96.7 135.6 179.8 -156.2 61.9 141.9 22 -1.6 28 -0.5 0 0.0 0 0.0 7 36
26 A 26 PRO P T T 3 TS+ 0 0 -83.6 -8.8 -177.0 40.9 92.6 51.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
27 A 27 ASP D T e 3 TS+ 0 0 -128.1 22.1 -179.2 87.8 96.2 83.5 0 0.0 4 -3.4 0 0.0 0 0.0 9 35
28 A 28 MET M E E Aa < T - 4 0 -131.9 143.5 179.1 -164.5 46.5 165.1 25 -0.5 0 0.0 0 0.0 0 0.0 11 44
29 A 29 ASP D E E Aa - 5 0 -123.9 121.8 179.1 -137.0 20.4 170.9 4 -2.6 6 -2.6 0 0.0 31 -0.7 9 37
30 A 30 LEU L E E Aa - 6 0 -79.9 111.6 179.6 -179.6 21.4 134.2 0 0.0 0 0.0 0 0.0 0 0.0 10 48
31 A 31 VAL V E E A* - 0 0 -82.1 -28.6 180.0 -68.4 53.7 40.8 6 -2.8 0 0.0 29 -0.7 0 0.0 11 46
32 A 32 GLY G E E Aa - 7 0 162.9 -176.8 -179.7 -80.7 44.8 164.8 6 -0.6 8 -2.0 0 0.0 0 0.0 11 53
33 A 33 ILE I E E Aac - 8 46 -124.2 129.2 177.9 -151.6 23.0 166.9 45 -2.5 47 -3.7 0 0.0 35 -0.7 13 54
34 A 34 PHE F E E Aac + 9 47 -99.8 111.0 -177.9 164.7 33.2 153.2 8 -3.5 10 -2.1 0 0.0 0 0.0 14 55
35 A 35 SER S E E A c - 0 48 -129.3 160.9 178.0 -136.7 50.1 147.0 47 -2.6 49 -1.5 33 -0.7 0 0.0 12 45
36 A 36 ARG R S S S+ 0 0 -85.9 -12.5 179.5 74.2 93.1 54.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
37 A 37 ARG R S S S- 0 0 -104.0 142.8 -178.3 -150.3 71.0 142.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
38 A 38 ALA A S S S+ 0 0 -79.9 -39.1 -177.9 55.4 81.6 30.1 0 0.0 40 -0.7 0 0.0 0 0.0 8 23
39 A 39 THR T + 0 0 -106.8 110.8 179.2 172.2 65.1 149.3 0 0.0 0 0.0 0 0.0 0 0.0 4 20
40 A 40 LEU L - 0 0 -115.2 149.4 179.6 -120.3 39.1 148.0 38 -0.7 42 -1.6 0 0.0 0 0.0 6 26
41 A 41 ASP D S S S+ 0 0 -87.2 70.7 -178.8 89.6 79.6 120.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
42 A 42 THR T S S S- 0 0 -161.7 154.1 179.2 -133.2 72.9 171.0 40 -1.6 0 0.0 0 0.0 0 0.0 5 29
43 A 43 LYS K S S S+ 0 0 -87.1 -9.1 179.5 107.2 77.8 60.7 0 0.0 0 0.0 0 0.0 0 0.0 4 23
44 A 44 THR T S S S- 0 0 -71.4 138.0 179.6 -96.3 87.7 120.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
45 A 45 PRO P e - 0 0 -55.9 134.0 179.1 -148.3 41.4 110.4 0 0.0 33 -2.5 0 0.0 0 0.0 8 36
46 A 46 VAL V E E Ac - 33 0 -109.8 139.2 -179.6 -174.9 16.2 151.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
47 A 47 PHE F E E Ac - 34 0 -130.4 159.5 178.6 -99.4 33.1 154.6 33 -3.7 35 -2.6 0 0.0 0 0.0 11 36
48 A 48 ASP D E E Ac > T - 35 0 -78.0 129.0 178.6 -133.4 27.2 130.0 0 0.0 51 -2.8 0 0.0 0 0.0 11 30
49 A 49 VAL V G e > TS+ 0 0 -54.0 -20.3 179.9 66.1 108.0 46.3 35 -1.5 52 -0.9 0 0.0 0 0.0 9 45
50 A 50 ALA A G G 3 TS+ 0 0 -76.0 -17.1 -179.2 57.8 94.8 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
51 A 51 ASP D G G X T + 0 0 -100.9 18.7 178.9 108.6 68.3 80.5 48 -2.8 54 -1.0 0 0.0 0 0.0 8 33
52 A 52 VAL V G G > X TS+ 0 0 -58.3 -43.4 -179.7 60.8 74.1 24.1 49 -0.9 55 -2.4 0 0.0 56 -0.5 12 42
53 A 53 ASP D G G 4 3 TS+ 0 0 -55.9 -25.0 -179.3 58.7 98.7 43.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
54 A 54 LYS K G G 4 < TS+ 0 0 -85.7 -4.7 179.9 40.9 110.0 63.2 51 -1.0 0 0.0 0 0.0 0 0.0 6 25
55 A 55 HIS H T g > X TS+ 0 0 -123.0 5.4 -178.8 117.5 75.3 72.3 52 -2.4 58 -3.2 0 0.0 59 -0.8 8 34
56 A 56 ALA A T T < 3 TS+ 0 0 -47.1 -26.5 179.9 46.6 81.3 46.3 52 -0.5 0 0.0 0 0.0 0 0.0 9 38
57 A 57 ASP D T T 4 3 TS+ 0 0 -100.2 1.7 179.1 56.0 106.9 65.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
58 A 58 ASP D T T 4 < TS+ 0 0 -108.8 -2.4 -178.0 64.6 102.5 63.6 55 -3.2 0 0.0 0 0.0 0 0.0 7 33
59 A 59 VAL V t < T - 0 0 -129.6 137.1 178.4 -177.8 47.2 165.6 55 -0.8 0 0.0 0 0.0 0 0.0 13 48
60 A 60 ASP D S e S+ 0 0 -94.6 -43.7 179.4 19.5 79.2 34.4 5 -3.3 84 -1.8 0 0.0 0 0.0 11 55
61 A 61 VAL V E E Abd - 6 84 -137.6 136.7 179.8 -151.0 62.5 175.0 5 -1.8 7 -2.0 0 0.0 63 -0.5 15 70
62 A 62 LEU L E E Abd - 7 85 -105.4 119.1 177.8 -147.6 11.8 156.5 84 -3.2 86 -1.9 0 0.0 64 -0.8 14 77
63 A 63 PHE F E E Abd - 8 86 -88.9 109.0 -179.6 -148.6 15.2 145.4 7 -3.2 9 -3.0 61 -0.5 65 -0.8 14 79
64 A 64 LEU L E E Ab + 9 0 -82.0 109.9 -177.1 163.9 28.5 136.0 86 -2.4 0 0.0 62 -0.8 0 0.0 13 73
65 A 65 CYS C e + 0 0 -117.7 24.6 178.5 118.4 29.8 86.3 9 -3.2 0 0.0 63 -0.8 0 0.0 13 66
66 A 66 MET M S S S- 0 0 -83.4 173.3 -179.1 -66.0 75.9 105.1 0 0.0 0 0.0 0 0.0 0 0.0 10 51
67 A 67 GLY G t >T - 0 0 -64.9 134.6 179.6 -150.9 31.4 112.5 0 0.0 72 -2.6 0 0.0 0 0.0 7 37
68 A 68 SER S T T 5TS+ 0 0 -69.0 -40.8 -178.2 69.0 90.3 25.8 0 0.0 0 0.0 0 0.0 0 0.0 11 44
69 A 69 ALA A T T 5TS- 0 0 -46.7 -47.7 -178.9 -18.0 128.9 33.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
70 A 70 THR T T h > 5TS+ 0 0 -129.9 -50.1 -177.3 57.1 129.0 45.7 0 0.0 74 -1.0 0 0.0 0 0.0 7 22
71 A 71 ASP D H H > 5TS+ 0 0 -55.8 -58.8 -178.8 54.4 101.1 21.9 0 0.0 75 -3.0 0 0.0 0 0.0 10 34
72 A 72 ILE I H H > TS+ 0 0 -86.2 -45.9 -178.1 72.8 98.3 24.4 71 -3.0 78 -1.8 0 0.0 79 -1.1 8 46
76 A 76 ALA A H H X > TS+ 0 0 -38.3 -53.5 -179.7 54.2 93.2 35.4 72 -1.5 80 -1.3 0 0.0 79 -0.6 11 62
77 A 77 PRO P H H 4 3 TS+ 0 0 -56.5 -32.6 -179.6 57.3 104.2 38.7 0 0.0 0 0.0 0 0.0 0 0.0 12 55
78 A 78 LYS K H H 4 X TS+ 0 0 -66.7 -41.4 -179.8 49.9 104.6 25.7 75 -1.8 81 -1.1 0 0.0 0 0.0 9 49
79 A 79 PHE F H H X X TS+ 0 0 -68.4 -27.2 -179.2 73.2 95.3 37.5 75 -1.1 82 -2.1 76 -0.6 83 -0.9 11 62
80 A 80 ALA A T h < 3 TS+ 0 0 -63.0 -15.4 179.8 62.7 88.3 50.2 76 -1.3 0 0.0 0 0.0 0 0.0 16 59
81 A 81 GLN Q T T 4 < TS+ 0 0 -87.5 -7.8 -178.9 45.7 105.1 54.2 78 -1.1 0 0.0 0 0.0 0 0.0 12 46
82 A 82 PHE F T T 4 < TS- 0 0 -107.6 -21.1 -179.8 -29.6 124.0 48.8 79 -2.1 0 0.0 0 0.0 0 0.0 11 51
83 A 83 ALA A S t < TS- 0 0 -177.1 177.9 177.3 -53.5 82.9 165.9 79 -0.9 0 0.0 0 0.0 0 0.0 13 62
84 A 84 CYS C E E Ad - 61 0 -68.0 143.8 -179.6 -154.9 58.5 116.4 60 -1.8 62 -3.2 0 0.0 0 0.0 16 69
85 A 85 THR T E E Ade - 62 113 -127.1 151.4 178.0 -167.0 17.0 160.8 112 -1.5 114 -3.2 0 0.0 0 0.0 16 78
86 A 86 VAL V E E Ade + 63 114 -137.1 123.1 178.7 172.5 15.3 171.6 62 -1.9 64 -2.4 0 0.0 0 0.0 17 80
87 A 87 ASP D e - 0 0 -126.4 166.4 178.7 -144.9 33.5 148.6 114 -2.1 117 -2.7 0 0.0 0 0.0 12 81
88 A 88 THR T + 0 0 -119.0 30.4 179.9 172.2 34.5 92.4 0 0.0 0 0.0 0 0.0 0 0.0 15 70
89 A 89 TYR Y - 0 0 -45.0 122.7 -176.0 -174.1 10.2 97.2 0 0.0 0 0.0 0 0.0 0 0.0 11 59
90 A 90 ASP D + 0 0 -111.9 10.3 178.7 113.2 44.6 76.7 0 0.0 92 -1.6 0 0.0 0 0.0 9 47
91 A 91 ASN N g > > T - 0 0 -84.4 86.8 -178.0 -171.0 46.5 131.9 0 0.0 94 -2.4 0 0.0 95 -0.7 8 33
92 A 92 HIS H G G 4 > TS+ 0 0 -45.3 -48.5 -178.8 55.3 80.1 31.4 90 -1.6 95 -1.3 0 0.0 0 0.0 6 32
93 A 93 ARG R G G 4 3 TS+ 0 0 -67.4 -6.0 -179.8 44.5 112.9 54.9 0 0.0 0 0.0 0 0.0 0 0.0 5 19
94 A 94 ASP D G h > < TS+ 0 0 -115.7 -4.0 -179.2 94.9 84.8 62.6 91 -2.4 98 -2.5 0 0.0 0 0.0 7 28
95 A 95 ILE I H H X < TS+ 0 0 -56.7 -48.3 179.4 53.8 81.1 26.5 92 -1.3 99 -3.0 91 -0.7 0 0.0 11 40
96 A 96 PRO P H H > TS+ 0 0 -54.7 -43.3 179.5 43.4 114.1 25.5 0 0.0 100 -1.8 0 0.0 0 0.0 7 33
97 A 97 ARG R H H > TS+ 0 0 -66.1 -47.6 180.0 51.5 112.8 23.8 0 0.0 101 -2.4 0 0.0 0 0.0 7 30
98 A 98 HIS H H H X TS+ 0 0 -55.1 -47.5 179.3 49.9 110.5 22.8 94 -2.5 102 -3.0 0 0.0 0 0.0 10 47
99 A 99 ARG R H H X TS+ 0 0 -59.2 -46.6 179.7 49.7 109.8 26.9 95 -3.0 103 -2.4 0 0.0 0 0.0 12 50
100 A 100 GLN Q H H X TS+ 0 0 -60.5 -43.8 179.1 45.2 114.5 24.8 96 -1.8 104 -1.6 0 0.0 0 0.0 9 34
101 A 101 VAL V H H X TS+ 0 0 -66.2 -46.0 179.9 46.6 115.0 24.7 97 -2.4 105 -1.7 0 0.0 0 0.0 9 39
102 A 102 MET M H H X TS+ 0 0 -66.0 -32.7 -179.5 57.5 108.7 32.7 98 -3.0 106 -2.8 0 0.0 0 0.0 14 50
103 A 103 ASN N H H X TS+ 0 0 -65.6 -42.9 179.1 48.2 105.7 26.0 99 -2.4 107 -2.5 0 0.0 0 0.0 12 43
104 A 104 GLU E H H X TS+ 0 0 -63.4 -44.8 180.0 44.2 115.8 22.9 100 -1.6 108 -1.9 0 0.0 0 0.0 10 36
105 A 105 ALA A H H X TS+ 0 0 -65.2 -49.9 -179.2 43.9 117.5 18.4 101 -1.7 109 -1.9 0 0.0 0 0.0 13 38
106 A 106 ALA A H H X >TS+ 0 0 -63.9 -43.2 179.6 50.9 113.1 27.7 102 -2.8 111 -2.5 0 0.0 110 -1.1 18 45
107 A 107 THR T H H < 5TS+ 0 0 -61.4 -45.7 -179.7 49.6 110.1 22.3 103 -2.5 0 0.0 0 0.0 0 0.0 12 35
108 A 108 ALA A H H < 5TS+ 0 0 -60.9 -43.0 -179.6 40.3 117.3 25.8 104 -1.9 0 0.0 0 0.0 0 0.0 8 28
109 A 109 ALA A H H < 5TS- 0 0 -82.7 -11.5 -179.6 -120.6 111.8 55.4 105 -1.9 0 0.0 0 0.0 0 0.0 9 33
110 A 110 GLY G T h < 5T + 0 0 76.8 25.8 -179.7 125.9 69.4 41.1 106 -1.1 0 0.0 0 0.0 0 0.0 10 38
111 A 111 ASN N e TS- 0 0 122.8 -145.1 178.3 -55.9 99.6 162.8 0 0.0 123 -1.8 0 0.0 0 0.0 14 61
119 A 119 TRP W T T >TS+ 0 0 -109.0 -23.6 175.2 38.1 124.9 49.1 0 0.0 124 -3.1 0 0.0 0 0.0 11 56
120 A 120 ASP D T T 5TS+ 0 0 -170.1 99.8 0.1 23.2 131.1 123.6 0 0.0 0 0.0 0 0.0 0 0.0 9 54
121 A 121 PRO P T T 5TS+ 0 0 -64.5 157.3 -179.5 34.5 139.6 57.5 0 0.0 0 0.0 0 0.0 0 0.0 13 52
122 A 122 GLY G T h > 5TS+ 0 0 136.2 -117.7 -179.2 21.7 119.8 169.0 0 0.0 126 -1.7 0 0.0 0 0.0 13 56
123 A 123 MET M H H > TS+ 0 0 -62.4 -39.2 -179.5 50.3 109.0 30.8 0 0.0 129 -1.7 0 0.0 0 0.0 12 53
126 A 126 ILE I H H X TS+ 0 0 -66.0 -47.3 179.8 44.8 112.1 23.3 122 -1.7 130 -2.3 0 0.0 0 0.0 10 44
127 A 127 ASN N H H X TS+ 0 0 -66.4 -37.3 178.4 57.2 109.8 29.5 123 -2.0 131 -2.6 0 0.0 0 0.0 10 43
128 A 128 ARG R H H X TS+ 0 0 -57.2 -48.6 -179.0 40.9 111.9 23.0 124 -2.3 132 -1.7 0 0.0 0 0.0 11 43
129 A 129 VAL V H H X TS+ 0 0 -69.6 -40.1 179.7 49.5 115.9 28.4 125 -1.7 133 -1.9 0 0.0 0 0.0 9 38
130 A 130 TYR Y H H X TS+ 0 0 -64.3 -51.3 -178.8 43.6 114.5 17.1 126 -2.3 134 -2.0 0 0.0 0 0.0 8 36
131 A 131 ALA A H H X TS+ 0 0 -63.9 -37.6 -180.0 47.6 116.0 31.2 127 -2.6 135 -2.1 0 0.0 0 0.0 10 36
132 A 132 ALA A H H < TS+ 0 0 -73.9 -33.2 -180.0 51.6 110.8 34.7 128 -1.7 0 0.0 0 0.0 0 0.0 11 33
133 A 133 ALA A H H < TS+ 0 0 -69.6 -43.2 179.7 43.0 114.3 25.6 129 -1.9 0 0.0 0 0.0 0 0.0 7 25
134 A 134 VAL V H H < TS+ 0 0 -67.8 -53.3 -179.8 55.3 110.7 19.0 130 -2.0 136 -1.3 0 0.0 0 0.0 6 25
135 A 135 LEU L h < T - 0 0 -87.8 89.0 -179.5 -172.4 69.8 133.2 131 -2.1 0 0.0 0 0.0 0 0.0 10 30
136 A 136 ALA A S S S+ 0 0 -43.6 -64.9 177.2 42.7 80.8 22.2 134 -1.3 138 -0.7 0 0.0 0 0.0 7 23
137 A 137 GLU E S e S+ 0 0 -85.8 114.9 -178.5 150.6 94.1 142.7 0 0.0 253 -0.7 0 0.0 0 0.0 7 28
138 A 138 HIS H E E BG - 252 0 -149.9 163.7 176.5 -147.9 46.3 165.6 136 -0.7 0 0.0 0 0.0 0 0.0 10 37
139 A 139 GLN Q E E BG - 251 0 -128.1 131.9 -177.6 -174.2 28.1 175.9 251 -2.2 251 -2.6 0 0.0 0 0.0 9 43
140 A 140 GLN Q E E BG + 250 0 -138.4 139.5 179.0 166.1 11.9 172.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
141 A 141 HIS H E E BG - 249 0 -146.3 148.7 177.1 -149.7 20.2 170.0 249 -2.3 249 -2.9 0 0.0 0 0.0 8 54
142 A 142 THR T E E BG - 248 0 -125.7 122.3 178.9 -165.0 12.9 173.5 0 0.0 0 0.0 0 0.0 0 0.0 8 60
143 A 143 PHE F E E BG - 247 0 -103.4 141.5 179.3 -144.0 11.0 156.0 247 -3.4 247 -2.8 0 0.0 0 0.0 10 55
144 A 144 TRP W E E BG - 246 0 -109.2 151.9 -179.6 -28.4 35.9 141.8 0 0.0 0 0.0 0 0.0 0 0.0 13 53
145 A 145 GLY G e - 0 0 91.1 -178.3 0.6 -143.7 23.2 107.6 245 -3.7 0 0.0 0 0.0 0 0.0 13 48
146 A 146 PRO P S S S+ 0 0 -52.8 132.2 -179.6 122.6 90.5 66.2 0 0.0 0 0.0 0 0.0 0 0.0 12 42
147 A 147 GLY G E E CH - 169 0 -174.7 156.4 179.8 -92.5 68.7 162.8 169 -1.1 169 -3.0 0 0.0 0 0.0 12 46
148 A 148 LEU L E E CH - 168 0 -73.1 130.3 178.6 -154.0 33.0 120.8 243 -1.8 150 -0.6 0 0.0 0 0.0 13 45
149 A 149 SER S h > T - 0 0 -111.1 109.9 -179.6 -166.4 6.2 159.5 167 -2.1 153 -2.1 0 0.0 0 0.0 10 42
150 A 150 GLN Q H H > TS+ 0 0 -61.4 -41.5 179.7 52.3 87.8 27.8 148 -0.6 154 -2.0 0 0.0 0 0.0 6 41
151 A 151 GLY G H H > TS+ 0 0 -62.3 -45.9 179.5 41.0 114.3 24.6 0 0.0 155 -1.0 0 0.0 0 0.0 6 34
152 A 152 HIS H H H > TS+ 0 0 -72.3 -32.7 178.3 56.9 111.7 37.0 0 0.0 156 -1.3 0 0.0 0 0.0 10 44
153 A 153 SER S H H X TS+ 0 0 -64.2 -41.4 -179.7 53.3 104.0 27.4 149 -2.1 157 -2.6 0 0.0 0 0.0 12 47
154 A 154 ASP D H H X TS+ 0 0 -63.1 -36.0 178.7 54.1 105.2 32.5 150 -2.0 158 -1.3 0 0.0 0 0.0 9 33
155 A 155 ALA A H H < TS+ 0 0 -65.4 -36.6 179.1 47.7 110.4 31.5 151 -1.0 0 0.0 0 0.0 0 0.0 9 40
156 A 156 LEU L H H < > TS+ 0 0 -67.2 -52.6 -179.3 51.0 110.1 15.8 152 -1.3 159 -2.1 0 0.0 0 0.0 12 49
157 A 157 ARG R H H < 3 TS+ 0 0 -59.0 -26.5 180.0 60.9 102.8 45.0 153 -2.6 0 0.0 0 0.0 0 0.0 12 41
158 A 158 ARG R T h < 3 TS+ 0 0 -83.3 -0.2 178.1 104.8 79.9 64.5 154 -1.3 0 0.0 0 0.0 0 0.0 7 31
159 A 159 ILE I S t X TS- 0 0 -80.5 132.4 -179.9 -103.1 86.5 131.9 156 -2.1 162 -1.8 0 0.0 0 0.0 9 39
160 A 160 PRO P T T 3 TS+ 0 0 -59.4 131.2 -179.8 23.1 105.1 109.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
161 A 161 GLY G T T 3 TS+ 0 0 98.4 -14.8 178.7 126.5 86.8 74.6 0 0.0 163 -0.5 0 0.0 0 0.0 8 30
162 A 162 VAL V t < T + 0 0 -80.3 119.4 179.3 177.8 31.1 136.0 159 -1.8 0 0.0 0 0.0 0 0.0 13 39
163 A 163 GLN Q S S S- 0 0 -86.6 -43.7 178.8 -2.7 71.8 34.6 200 -3.0 0 0.0 161 -0.5 0 0.0 8 37
164 A 164 LYS K E E C I S+ 0 200 -148.4 146.4 -179.5 166.6 74.1 167.1 200 -1.2 200 -3.0 0 0.0 0 0.0 10 45
165 A 165 ALA A E E C I + 0 199 -161.7 158.7 179.2 180.0 13.9 173.4 0 0.0 0 0.0 0 0.0 0 0.0 12 53
166 A 166 VAL V E E C I - 0 198 -159.0 146.1 178.1 -155.8 11.3 165.0 198 -1.5 198 -2.8 0 0.0 0 0.0 15 55
167 A 167 GLN Q E E C I - 0 197 -132.4 133.2 179.2 -151.8 7.5 178.4 0 0.0 149 -2.1 0 0.0 0 0.0 13 56
168 A 168 TYR Y E E CHI - 148 196 -105.3 135.8 177.4 -142.2 9.5 150.3 196 -3.2 196 -2.6 0 0.0 170 -0.6 12 55
169 A 169 THR T E E CHI - 147 195 -94.8 120.4 -178.3 -175.7 25.5 152.7 147 -3.0 147 -1.1 0 0.0 0 0.0 14 52
170 A 170 LEU L E E C I - 0 194 -122.8 129.7 179.5 -121.3 25.5 168.0 194 -2.5 194 -3.9 168 -0.6 0 0.0 12 48
171 A 171 PRO P E E C I - 0 193 -69.1 139.0 179.9 -107.4 35.7 114.0 0 0.0 173 -0.6 0 0.0 0 0.0 14 48
172 A 172 SER S h > T - 0 0 -69.1 117.0 179.9 -147.7 19.9 128.6 192 -2.7 176 -2.3 0 0.0 0 0.0 10 39
173 A 173 GLU E H H > TS+ 0 0 -55.0 -28.3 179.5 56.3 100.5 36.8 171 -0.6 177 -1.9 0 0.0 0 0.0 6 35
174 A 174 ASP D H H > TS+ 0 0 -70.4 -44.3 179.4 45.7 107.9 21.5 0 0.0 178 -1.9 0 0.0 0 0.0 7 29
175 A 175 ALA A H H > TS+ 0 0 -66.5 -36.8 178.7 56.3 109.1 32.8 0 0.0 179 -2.2 0 0.0 0 0.0 12 42
176 A 176 LEU L H H X TS+ 0 0 -60.0 -50.0 -179.7 46.8 109.0 16.9 172 -2.3 180 -2.0 0 0.0 0 0.0 11 45
177 A 177 GLU E H H X TS+ 0 0 -59.5 -46.0 178.1 50.3 111.0 28.2 173 -1.9 181 -1.4 0 0.0 0 0.0 8 37
178 A 178 LYS K H H X >TS+ 0 0 -59.4 -40.8 179.7 51.1 110.3 26.0 174 -1.9 183 -3.0 0 0.0 182 -1.1 10 37
179 A 179 ALA A H H < 5TS+ 0 0 -64.9 -38.1 179.5 55.0 106.0 29.2 175 -2.2 0 0.0 0 0.0 0 0.0 14 43
180 A 180 ARG R H H < 5TS+ 0 0 -64.7 -32.2 178.9 43.2 112.4 36.4 176 -2.0 0 0.0 0 0.0 0 0.0 11 39
181 A 181 ARG R H H < 5TS- 0 0 -87.9 -14.1 179.7 -113.2 118.2 52.1 177 -1.4 0 0.0 0 0.0 0 0.0 10 32
182 A 182 GLY G T h < 5TS+ 0 0 88.2 25.0 -179.3 112.6 86.8 44.1 178 -1.1 0 0.0 0 0.0 0 0.0 10 37
183 A 183 GLU E t T + 0 0 -113.0 18.9 -179.9 111.1 47.7 82.1 0 0.0 187 -0.7 0 0.0 0 0.0 9 36
185 A 185 GLY G T T 3 TS+ 0 0 -60.4 -35.3 -179.5 45.6 81.1 31.6 0 0.0 187 -0.5 0 0.0 0 0.0 7 30
186 A 186 ASP D T T 3 TS+ 0 0 -111.4 63.7 177.7 117.7 83.1 123.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
187 A 187 LEU L t < T - 0 0 -130.7 127.7 179.8 -139.4 52.9 178.1 184 -0.7 0 0.0 185 -0.5 0 0.0 9 32
188 A 188 THR T h > > T - 0 0 -80.8 162.4 178.8 -107.9 29.2 114.8 0 0.0 191 -2.2 0 0.0 192 -0.7 6 27
189 A 189 GLY G H H > 3 TS+ 0 0 -62.2 -16.7 179.5 67.9 119.1 46.7 0 0.0 193 -0.6 0 0.0 0 0.0 6 35
190 A 190 LYS K H H 4 3 TS+ 0 0 -79.0 -10.7 -179.3 37.2 106.6 55.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
191 A 191 GLN Q H H 4 < TS+ 0 0 -122.3 -0.2 178.4 65.1 104.4 63.7 188 -2.2 0 0.0 0 0.0 0 0.0 11 36
192 A 192 THR T H H < TS+ 0 0 -95.1 -16.1 -179.8 42.5 105.8 51.2 188 -0.7 172 -2.7 0 0.0 0 0.0 13 43
193 A 193 HIS H E E > T - 0 0 -67.5 133.2 -177.8 -121.0 44.0 118.6 0 0.0 205 -3.1 0 0.0 206 -0.6 7 27
203 A 203 ALA A G G 4 > TS+ 0 0 -45.1 -31.3 179.6 63.6 111.4 39.8 0 0.0 206 -1.0 0 0.0 0 0.0 5 24
204 A 204 ALA A G G 4 3 TS+ 0 0 -68.0 -24.6 -179.3 47.1 103.8 42.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
205 A 205 ASP D G h > < TS+ 0 0 -97.3 -1.3 -178.6 95.7 85.0 60.8 202 -3.1 209 -2.4 0 0.0 0 0.0 9 28
206 A 206 HIS H H H X < TS+ 0 0 -56.4 -46.2 -179.0 51.4 80.3 29.5 203 -1.0 210 -2.4 202 -0.6 0 0.0 10 32
207 A 207 GLU E H H > TS+ 0 0 -59.7 -48.8 179.0 40.0 116.0 24.4 0 0.0 211 -1.4 0 0.0 0 0.0 7 24
208 A 208 ARG R H H > TS+ 0 0 -64.2 -58.1 -179.8 49.4 115.8 14.7 0 0.0 212 -2.9 0 0.0 0 0.0 7 26
209 A 209 ILE I H H X TS+ 0 0 -48.2 -52.0 179.3 51.6 110.0 25.2 205 -2.4 213 -2.5 0 0.0 0 0.0 12 40
210 A 210 GLU E H H X TS+ 0 0 -54.6 -40.4 179.4 45.1 113.8 28.2 206 -2.4 214 -2.0 0 0.0 0 0.0 9 46
211 A 211 ASN N H H X TS+ 0 0 -72.7 -38.5 178.4 55.0 108.9 29.1 207 -1.4 215 -1.3 0 0.0 0 0.0 8 35
212 A 212 ASP D H H < TS+ 0 0 -59.4 -41.8 179.7 47.5 111.0 24.6 208 -2.9 0 0.0 0 0.0 0 0.0 9 39
213 A 213 ILE I H H < > TS+ 0 0 -62.9 -56.2 -178.1 49.4 110.1 15.2 209 -2.5 216 -1.5 0 0.0 0 0.0 9 49
214 A 214 ARG R H H < 3 TS+ 0 0 -60.3 -22.0 179.4 40.1 118.6 47.2 210 -2.0 0 0.0 0 0.0 0 0.0 9 35
215 A 215 THR T T h < 3 TS+ 0 0 -108.8 3.1 179.5 126.0 80.5 68.9 211 -1.3 0 0.0 0 0.0 0 0.0 8 26
216 A 216 MET M t > <>T - 0 0 -66.9 111.1 -179.7 -126.2 62.8 120.3 213 -1.5 221 -2.2 0 0.0 220 -2.0 9 33
217 A 217 PRO P T T 4 5TS+ 0 0 -58.9 149.2 177.8 3.2 81.7 103.9 0 0.0 219 -2.2 0 0.0 0 0.0 6 23
218 A 218 ASP D T T 4 5TS+ 0 0 71.4 -46.6 -179.1 58.3 129.2 102.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
219 A 219 TYR Y T T 4 5TS- 0 0 -78.7 -54.7 -177.3 -6.5 128.3 16.8 217 -2.2 0 0.0 0 0.0 0 0.0 7 40
220 A 220 PHE F T T < >5TS+ 0 0 -120.2 -22.2 -179.8 111.9 94.6 49.3 216 -2.0 223 -2.1 0 0.0 0 0.0 13 43
221 A 221 VAL V T T 3 T - 0 0 -76.7 147.3 179.6 -118.5 34.0 117.9 0 0.0 235 -2.1 0 0.0 0 0.0 7 28
232 A 232 GLU E H H > TS+ 0 0 -52.5 -40.7 179.9 56.8 116.7 27.4 0 0.0 236 -2.8 0 0.0 0 0.0 8 25
233 A 233 ALA A H H > TS+ 0 0 -58.0 -45.1 179.3 46.4 107.6 27.6 0 0.0 237 -1.7 0 0.0 0 0.0 6 20
234 A 234 THR T H H > TS+ 0 0 -67.2 -36.1 179.7 51.4 112.7 31.7 0 0.0 238 -2.3 0 0.0 0 0.0 9 22
235 A 235 PHE F H H X TS+ 0 0 -65.6 -54.3 -179.3 44.8 111.0 14.5 231 -2.1 239 -1.9 0 0.0 0 0.0 13 32
236 A 236 ASP D H H < TS+ 0 0 -58.5 -35.4 -178.9 49.3 116.7 32.0 232 -2.8 0 0.0 0 0.0 0 0.0 8 21
237 A 237 SER S H H < TS+ 0 0 -74.1 -45.2 -177.5 14.0 128.3 24.6 233 -1.7 0 0.0 0 0.0 0 0.0 7 18
238 A 238 GLU E H H < TS+ 0 0 -123.9 22.8 179.4 53.7 121.7 77.4 234 -2.3 0 0.0 0 0.0 0 0.0 7 28
239 A 239 HIS H S h < TS+ 0 0 -144.0 31.7 179.3 86.8 78.4 88.1 235 -1.9 0 0.0 0 0.0 0 0.0 8 38
240 A 240 THR T S S S+ 0 0 -117.9 21.0 179.6 100.1 71.6 86.3 0 0.0 0 0.0 0 0.0 0 0.0 7 34
241 A 241 GLY G - 0 0 -99.3 177.3 -179.2 -131.7 69.7 112.3 0 0.0 0 0.0 0 0.0 0 0.0 6 35
242 A 242 MET M + 0 0 -129.7 54.6 -179.9 159.7 41.1 113.0 0 0.0 270 -3.7 0 0.0 0 0.0 10 41
243 A 243 PRO P + 0 0 -78.8 155.8 179.2 143.6 7.7 112.4 0 0.0 148 -1.8 0 0.0 0 0.0 11 38
244 A 244 HIS H E E B K + 0 267 -170.0 -177.6 -179.7 137.7 5.1 163.9 267 -2.2 267 -2.7 0 0.0 0 0.0 14 47
245 A 245 GLY G E E B K - 0 266 154.7 -164.0 -179.6 -166.6 19.3 165.5 0 0.0 145 -3.7 0 0.0 0 0.0 13 45
246 A 246 GLY G E E BGK - 144 265 168.4 -177.5 -179.8 -95.5 20.4 168.9 265 -1.7 265 -2.4 0 0.0 0 0.0 13 52
247 A 247 HIS H E E BGK - 143 264 -132.6 139.8 175.1 -161.3 11.4 171.7 143 -2.8 143 -3.4 0 0.0 249 -0.6 12 50
248 A 248 VAL V E E BGK - 142 263 -118.6 109.5 -179.1 -172.0 22.0 169.3 263 -2.3 263 -2.1 0 0.0 0 0.0 14 55
249 A 249 ILE I E E BGK + 141 262 -110.3 128.4 179.1 179.1 8.3 159.1 141 -2.9 141 -2.3 247 -0.6 0 0.0 14 55
250 A 250 THR T E E BGK - 140 261 -130.0 127.7 178.4 -175.1 2.7 174.0 261 -2.6 261 -3.0 0 0.0 0 0.0 16 47
251 A 251 THR T E E BGK + 139 260 -119.6 150.4 179.7 175.2 5.8 153.3 139 -2.6 139 -2.2 0 0.0 0 0.0 16 43
252 A 252 GLY G E E BGK - 138 259 -153.3 154.9 179.7 -137.9 22.4 173.2 259 -1.7 259 -2.0 0 0.0 0 0.0 13 36
253 A 253 ASP D E E B K - 0 258 -117.6 133.9 -179.8 -172.1 7.9 163.0 137 -0.7 0 0.0 0 0.0 0 0.0 11 28
254 A 254 THR T S e S- 0 0 -113.9 31.9 180.0 -51.4 78.4 91.1 257 -2.5 0 0.0 0 0.0 0 0.0 8 22
255 A 255 GLY G S S S- 0 0 100.7 54.9 -179.0 -19.4 124.0 32.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
256 A 256 GLY G S S S+ 0 0 92.0 13.3 -179.8 100.4 118.6 54.0 0 0.0 0 0.0 0 0.0 0 0.0 5 14
257 A 257 PHE F e - 0 0 -135.0 124.1 -179.4 -149.7 59.1 172.6 0 0.0 254 -2.5 0 0.0 0 0.0 6 19
258 A 258 ASN N E E BK - 253 0 -95.6 149.1 179.0 -168.0 8.6 129.7 0 0.0 0 0.0 0 0.0 0 0.0 9 30
259 A 259 HIS H E E BK - 252 0 -136.6 132.5 179.4 -160.2 3.9 177.6 252 -2.0 252 -1.7 0 0.0 0 0.0 8 33
260 A 260 THR T E E BK - 251 0 -118.2 131.6 178.1 -170.9 4.5 165.0 0 0.0 0 0.0 0 0.0 0 0.0 10 40
261 A 261 VAL V E E BK - 250 0 -120.3 119.6 179.7 -177.8 10.9 170.8 250 -3.0 250 -2.6 0 0.0 0 0.0 8 44
262 A 262 GLU E E E BK - 249 0 -127.0 126.6 178.6 -172.2 12.5 168.8 0 0.0 264 -0.5 0 0.0 0 0.0 8 45
263 A 263 TYR Y E E BK - 248 0 -114.3 120.2 -178.8 -170.4 15.3 167.7 248 -2.1 248 -2.3 0 0.0 0 0.0 9 39
264 A 264 ILE I E E BK - 247 0 -118.9 139.1 177.6 -166.8 11.1 157.9 262 -0.5 0 0.0 0 0.0 0 0.0 8 42
265 A 265 LEU L E E BK - 246 0 -125.0 127.2 178.9 -178.4 5.0 172.8 246 -2.4 246 -1.7 0 0.0 0 0.0 7 43
266 A 266 LYS K E E BK - 245 0 -125.4 100.1 -177.6 -178.2 13.7 155.9 0 0.0 268 -0.5 0 0.0 0 0.0 7 36
267 A 267 LEU L E E BK - 244 0 -109.4 123.4 178.6 -168.7 25.0 152.9 244 -2.7 244 -2.2 0 0.0 0 0.0 9 36
268 A 268 ASP D S S S+ 0 0 -73.6 -27.2 -179.7 23.8 91.9 38.6 266 -0.5 0 0.0 0 0.0 0 0.0 7 29
269 A 269 ARG R h > > T - 0 0 -146.5 107.2 -179.7 -158.3 68.5 149.5 0 0.0 273 -1.6 0 0.0 272 -0.6 10 38
270 A 270 ASN N H H > 3 TS+ 0 0 -47.3 -58.7 179.9 49.4 92.9 25.7 242 -3.7 274 -2.4 0 0.0 0 0.0 11 49
271 A 271 PRO P H H > 3 TS+ 0 0 -57.8 -27.9 179.5 57.3 107.6 35.6 0 0.0 275 -2.3 0 0.0 0 0.0 10 53
272 A 272 ASP D H H > < TS+ 0 0 -69.0 -45.7 179.8 39.2 111.5 22.0 269 -0.6 276 -1.9 0 0.0 0 0.0 11 42
273 A 273 PHE F H H X TS+ 0 0 -72.3 -38.2 178.7 52.5 115.7 28.0 269 -1.6 277 -2.2 0 0.0 0 0.0 11 46
274 A 274 THR T H H X TS+ 0 0 -61.6 -41.9 180.0 48.4 110.7 22.4 270 -2.4 278 -2.7 0 0.0 0 0.0 13 57
275 A 275 ALA A H H X TS+ 0 0 -64.4 -41.2 -180.0 53.7 108.7 27.2 271 -2.3 279 -2.7 0 0.0 0 0.0 14 63
276 A 276 SER S H H X TS+ 0 0 -60.4 -42.9 179.5 44.0 112.4 26.1 272 -1.9 280 -1.9 0 0.0 0 0.0 11 52
277 A 277 SER S H H X TS+ 0 0 -68.1 -47.3 179.8 50.9 113.1 19.8 273 -2.2 281 -2.2 0 0.0 0 0.0 12 61
278 A 278 GLN Q H H X TS+ 0 0 -57.1 -43.2 179.8 50.4 110.4 27.6 274 -2.7 282 -1.0 0 0.0 0 0.0 14 70
279 A 279 ILE I H H X TS+ 0 0 -62.2 -47.0 -179.7 51.5 107.9 23.5 275 -2.7 283 -1.7 0 0.0 0 0.0 11 67
280 A 280 ALA A H H X TS+ 0 0 -58.6 -42.6 178.2 47.5 111.7 25.6 276 -1.9 284 -1.5 0 0.0 0 0.0 10 62
281 A 281 PHE F H H X TS+ 0 0 -71.4 -21.0 177.3 61.9 104.3 45.5 277 -2.2 285 -2.2 0 0.0 0 0.0 13 64
282 A 282 GLY G H H X TS+ 0 0 -69.1 -40.6 177.9 49.0 103.6 26.9 278 -1.0 286 -1.9 0 0.0 0 0.0 14 71
283 A 283 ARG R H H X TS+ 0 0 -62.8 -42.1 179.8 50.8 111.0 25.1 279 -1.7 287 -2.3 0 0.0 0 0.0 13 64
284 A 284 ALA A H H X TS+ 0 0 -63.4 -42.9 179.8 52.9 107.0 26.5 280 -1.5 288 -2.7 0 0.0 0 0.0 12 61
285 A 285 ALA A H H X TS+ 0 0 -59.7 -45.1 179.7 47.8 110.4 23.0 281 -2.2 289 -2.0 0 0.0 0 0.0 15 65
286 A 286 HIS H H H X TS+ 0 0 -60.9 -50.5 179.7 48.3 112.7 18.6 282 -1.9 290 -2.0 0 0.0 0 0.0 13 56
287 A 287 ARG R H H X TS+ 0 0 -57.9 -43.4 179.4 52.3 110.0 27.5 283 -2.3 291 -1.9 0 0.0 0 0.0 9 49
288 A 288 MET M H H < >TS+ 0 0 -62.5 -38.3 179.3 51.0 108.1 28.8 284 -2.7 293 -2.3 0 0.0 0 0.0 11 43
289 A 289 LYS K H H < >5TS+ 0 0 -65.4 -41.6 178.8 52.9 107.9 25.3 285 -2.0 292 -1.6 0 0.0 0 0.0 12 44
290 A 290 GLN Q H H < 35TS+ 0 0 -58.6 -42.5 180.0 59.3 102.5 27.3 286 -2.0 0 0.0 0 0.0 0 0.0 7 27
291 A 291 GLN Q T h < 35TS- 0 0 -70.0 5.3 179.4 -99.4 127.9 68.2 287 -1.9 0 0.0 0 0.0 0 0.0 6 20
292 A 292 GLY G T T <5TS+ 0 0 88.8 7.2 179.7 138.9 78.7 56.2 289 -1.6 0 0.0 0 0.0 0 0.0 6 21
293 A 293 GLN Q t T - 0 0 -97.7 174.0 179.6 -95.5 42.8 120.1 0 0.0 301 -1.7 0 0.0 0 0.0 11 59
299 A 299 VAL V G G > TS+ 0 0 -65.8 -14.6 179.2 68.4 121.3 47.8 0 0.0 302 -0.7 0 0.0 0 0.0 13 53
300 A 300 LEU L G G 3 TS+ 0 0 -78.9 -11.9 -176.9 55.5 95.5 51.9 0 0.0 0 0.0 0 0.0 0 0.0 8 40
301 A 301 GLU E G G < TS+ 0 0 -108.7 14.4 179.3 87.1 87.0 78.6 298 -1.7 0 0.0 0 0.0 0 0.0 6 40
302 A 302 VAL V S g < TS- 0 0 -119.3 125.8 177.5 -124.3 76.7 165.0 299 -0.7 0 0.0 0 0.0 0 0.0 9 44
303 A 303 ALA A g > T - 0 0 -62.4 137.0 -179.9 -119.0 28.9 118.8 0 0.0 306 -1.6 0 0.0 0 0.0 5 37
304 A 304 PRO P G G > TS+ 0 0 -45.2 -47.0 -177.0 64.0 107.1 34.4 0 0.0 307 -1.8 0 0.0 0 0.0 6 41
305 A 305 TYR Y G G > TS+ 0 0 -57.1 -21.6 -179.1 74.5 87.0 46.9 0 0.0 308 -0.7 0 0.0 0 0.0 7 33
306 A 306 LEU L G G < TS+ 0 0 -65.8 -23.5 -179.2 55.1 90.6 44.6 303 -1.6 0 0.0 0 0.0 0 0.0 10 40
307 A 307 LEU L G G < TS+ 0 0 -83.8 -20.4 -177.2 94.5 90.1 47.0 304 -1.8 0 0.0 0 0.0 0 0.0 10 46
308 A 308 SER S g < T - 0 0 -81.4 137.0 179.2 -146.1 67.1 123.9 305 -0.7 0 0.0 0 0.0 0 0.0 10 36
309 A 309 PRO P S S S+ 0 0 -73.1 -9.0 178.5 87.4 80.1 52.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
310 A 310 GLU E S S S- 0 0 -88.7 157.3 178.3 -102.9 89.1 121.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
311 A 311 ASN N h > > T - 0 0 -77.4 152.6 -178.9 -112.9 31.3 117.5 0 0.0 315 -1.7 0 0.0 314 -0.6 7 24
312 A 312 LEU L H H > 3 TS+ 0 0 -52.3 -45.7 -180.0 58.1 114.9 28.6 0 0.0 316 -3.0 0 0.0 0 0.0 7 20
313 A 313 ASP D H H > 3 TS+ 0 0 -55.2 -42.3 178.7 47.1 106.9 29.2 0 0.0 317 -2.2 0 0.0 0 0.0 6 15
314 A 314 ASP D H H > < TS+ 0 0 -67.1 -39.5 179.1 50.4 113.1 29.6 311 -0.6 318 -1.9 0 0.0 0 0.0 8 16
315 A 315 LEU L H H X >TS+ 0 0 -62.7 -50.7 -178.7 45.1 112.3 19.0 311 -1.7 319 -3.0 0 0.0 320 -0.9 11 17
316 A 316 ILE I H H X 5TS+ 0 0 -62.6 -41.9 -179.0 48.4 115.1 23.8 312 -3.0 320 -0.6 0 0.0 0 0.0 8 16
317 A 317 ALA A H H < 5TS+ 0 0 -69.6 -32.0 -177.7 23.4 127.0 32.5 313 -2.2 0 0.0 0 0.0 0 0.0 7 11
318 A 318 ARG R H H < 5TS+ 0 0 -106.3 -36.5 -175.9 31.1 128.2 33.4 314 -1.9 0 0.0 0 0.0 0 0.0 6 13
319 A 319 ASP D H H < 5T 0 0 -103.2 -16.0 -179.5 999.9 999.9 50.4 315 -3.0 0 0.0 0 0.0 0 0.0 5 14
320 A 320 VAL V h < 5555< 5-turns
3-turns >>3>3XX3>3XX3<< >>3<< 3-turns
bridge-2 bbbb ccc ddd ee bridge-2
bridge-1 aaaaaa aaa*aaa ccc bbbb ddd bridge-1
sheets AAAAAA AAAAAAAA AAA AAAA AAA sheets
4-turns >>>>XXXX<<<< >44><44< >>>444>X>>XXX 4-turns
summary EEEEEEe hHHHHHHHHHHhTtTeEEEEEEEESSS SSSSeEEEeGGGGGgTTTteEEEEeStTThHHHHHHHHHhTTtEEEe gGGhHHHHHH summary
sequence MTNIRVAIVGYGNLGRSVEKLIAKQPDMDLVGIFSRRATLDTKTPVFDVADVDKHADDVDVLFLCMGSATDIPEQAPKFAQFACTVDTYDNHRDIPRHRQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHT EEE S STTTTHHHHHHHHHHHH SSEEEEEEE SEE HHHHHHHHTSTT SEEEEEEEE HHHHHHHHHT TT HHHHEEEEEEEE Kabs/Sand
chirality ++++++++-+----+++-++++++++++++++++-++--+-----+---+++++++++-+++-++-------++++++++-+++++--++++-------+ chirality
bends SSSSSSSSS S SSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSS SS SSSSSSSSSS SS SSSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns >33X33< >33<>33< 3-turns
bridge-2 fff IIIIIIII jjjjjj bridge-2
bridge-1 ee GGGGGGG HH HH IIIIIIII bridge-1
sheets AAA BBBBBBB CC CCCCCCCC CCCCCCCC sheets
4-turns XXXXXX<<<< >>>>XXXXXX<<<< >>>>XX<<<< >>>>XXX<<<< >>44<< 4-turns
summary HHHHHHHHHheEEEeS tTTThHHHHHHHHHHHHhSeEEEEEEEeSEEhHHHHHHHHhtTTtSEEEEEEEEhHHHHHHHHHhttTTthHHHHEEEEEEEE summary
sequence VMNEAATAAGNVALVSTGWDPGMFSINRVYAAAVLAEHQQHTFWGPGLSQGHSDALRRIPGVQKAVQYTLPSEDALEKARRGEAGDLTGKQTHKRQCFVV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGGHHHHHHHHHT TTTTTTSEEEEEE HHHHHHHSS EEEEEEEEEESSS EEEEEEEEEES HHHHHHHHHHHHHHHHHHHHHTT EEE GG Kabs/Sand
chirality --+++++++++++++-++-+++------+--+++++++++-+++----+-+----+-----------+-+++++++++++++++++++++-+++----++ chirality
bends SSSSSSSSSSSSS SSSSSSS SSSSSSSSS SSS S SSSSSSSSSSSSSSSSSSSSSSS S SS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >>3 3-turns
bridge-2 KKKKKKKKKK bridge-2
bridge-1 jjjjjj GGGGGGG KKKKKKKKKK fff bridge-1
sheets CCCCCC BBBBBBBBBB BBBBBBBBBB AAA sheets
4-turns >44>X>>XXX<<<<>444< >>>>X<<<< >>>>XXXXXXXXXXXXXXX<<<< 4-turns
summary gGGhHHHHHHHHHhtTTTTTTtEEEEEEehHHHHHHHhS EEEEEEEEEEeSSeEEEEEEEEEEShHHHHHHHHHHHHHHHHHHHHHhTt EEEgGG summary
sequence ADAADHERIENDIRTMPDYFVGYEVEVNFIDEATFDSEHTGMPHGGHVITTGDTGGFNHTVEYILKLDRNPDFTASSQIAFGRAAHRMKQQGQSGAFTVL sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand GS GGGG SS HHHHHHHH Kabs/Sand
chirality +--++++-+--+++++++ chirality
bends SS SSSS SS SSSSSSS bends
turns TTTTTTTT TTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns <<>>><<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XX<<<< 4-turns
summary GggGGGGgSShHHHHHHHHh summary
sequence EVAPYLLSPENLDDLIARDV sequence
310 320