Secondary structure calculation program - copyright by David Keith Smith, 1989
1dxhA.pdb
1DXH TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 335
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 0 0 999.9 162.5 176.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 A 2 PHE F + 0 0 -64.1 125.6 -177.3 158.0 999.9 122.8 0 0.0 0 0.0 0 0.0 0 0.0 3 23
3 A 3 ASN N - 0 0 -150.5 167.5 178.2 -150.1 52.7 163.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
4 A 4 MET M t > T + 0 0 -132.1 39.2 179.6 164.5 41.3 102.5 330 -0.5 7 -1.4 0 0.0 0 0.0 8 39
5 A 5 HIS H T T 3 T + 0 0 -60.8 138.4 177.5 9.0 66.1 108.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
6 A 6 ASN N T T 3 TS+ 0 0 65.1 17.2 179.3 145.0 95.3 47.5 331 -2.1 0 0.0 0 0.0 0 0.0 8 38
7 A 7 ARG R t < T - 0 0 -89.8 142.6 177.6 -138.5 41.7 132.3 4 -1.4 0 0.0 0 0.0 0 0.0 8 48
8 A 8 ASN N - 0 0 -89.1 169.7 177.0 -141.7 4.2 113.3 0 0.0 0 0.0 0 0.0 0 0.0 9 58
9 A 9 LEU L B B a + 126 0 -134.4 96.6 -178.4 140.7 43.7 151.6 125 -2.3 127 -2.4 0 0.0 0 0.0 10 61
10 A 10 LEU L S S S- 0 0 -111.6 -26.9 -179.1 -26.8 81.4 45.8 0 0.0 0 0.0 0 0.0 0 0.0 10 57
11 A 11 SER S S S S- 0 0 -162.6 -18.7 -177.3 -115.1 70.1 62.2 0 0.0 0 0.0 0 0.0 0 0.0 9 60
12 A 12 LEU L S t > TS+ 0 0 85.3 -8.0 -179.9 115.8 84.6 74.7 0 0.0 15 -1.6 0 0.0 0 0.0 8 57
13 A 13 MET M T T 3 TS+ 0 0 -61.8 -30.2 -179.8 41.5 79.2 37.1 0 0.0 0 0.0 0 0.0 0 0.0 5 47
14 A 14 HIS H T T 3 TS+ 0 0 -108.8 28.3 177.0 101.5 92.6 93.9 0 0.0 16 -0.5 0 0.0 0 0.0 5 32
15 A 15 HIS H t < T - 0 0 -113.9 123.4 -179.9 -137.5 66.2 169.0 12 -1.6 0 0.0 0 0.0 0 0.0 7 47
16 A 16 SER S h > T - 0 0 -73.1 168.9 179.2 -103.0 26.4 102.3 14 -0.5 20 -2.3 0 0.0 0 0.0 7 38
17 A 17 THR T H H > TS+ 0 0 -60.8 -39.5 -179.5 52.1 122.9 24.1 0 0.0 21 -2.1 0 0.0 0 0.0 9 40
18 A 18 ARG R H H > TS+ 0 0 -66.4 -35.5 179.9 51.1 108.6 29.9 0 0.0 22 -1.8 0 0.0 0 0.0 6 31
19 A 19 GLU E H H > TS+ 0 0 -67.9 -43.9 178.7 47.4 110.7 20.0 0 0.0 23 -2.3 0 0.0 0 0.0 9 41
20 A 20 LEU L H H X TS+ 0 0 -65.5 -37.1 178.4 50.4 111.6 34.4 16 -2.3 24 -1.6 0 0.0 0 0.0 10 56
21 A 21 ARG R H H X TS+ 0 0 -68.6 -37.0 179.0 53.3 108.3 26.1 17 -2.1 25 -2.5 0 0.0 0 0.0 8 46
22 A 22 TYR Y H H X TS+ 0 0 -60.7 -50.6 177.2 47.7 110.2 15.9 18 -1.8 26 -3.0 0 0.0 0 0.0 8 42
23 A 23 LEU L H H X TS+ 0 0 -58.9 -34.4 -179.5 51.2 111.0 34.1 19 -2.3 27 -2.1 0 0.0 0 0.0 12 56
24 A 24 LEU L H H X TS+ 0 0 -71.7 -36.3 179.6 46.9 112.4 28.8 20 -1.6 28 -1.9 0 0.0 0 0.0 11 54
25 A 25 ASP D H H X TS+ 0 0 -69.0 -45.7 180.0 49.4 111.6 20.4 21 -2.5 29 -2.5 0 0.0 0 0.0 8 40
26 A 26 LEU L H H X TS+ 0 0 -62.0 -38.2 177.4 52.3 109.8 27.6 22 -3.0 30 -3.0 0 0.0 0 0.0 9 50
27 A 27 SER S H H X TS+ 0 0 -61.7 -49.5 177.8 48.5 110.0 22.4 23 -2.1 31 -2.0 0 0.0 0 0.0 13 53
28 A 28 ARG R H H X TS+ 0 0 -56.2 -47.3 -178.5 44.7 115.5 24.3 24 -1.9 32 -2.2 0 0.0 0 0.0 10 45
29 A 29 ASP D H H X TS+ 0 0 -70.7 -37.2 177.4 49.8 111.9 31.1 25 -2.5 33 -2.0 0 0.0 0 0.0 8 39
30 A 30 LEU L H H X TS+ 0 0 -68.5 -31.5 179.4 52.0 111.3 34.8 26 -3.0 34 -1.4 0 0.0 0 0.0 12 47
31 A 31 LYS K H H X TS+ 0 0 -67.3 -49.0 179.6 45.4 111.1 18.9 27 -2.0 35 -2.0 0 0.0 0 0.0 9 45
32 A 32 ARG R H H X TS+ 0 0 -62.6 -36.1 -179.7 56.1 110.9 29.0 28 -2.2 36 -1.9 0 0.0 0 0.0 8 29
33 A 33 ALA A H H < >TS+ 0 0 -68.0 -33.6 178.3 48.5 106.3 37.0 29 -2.0 38 -1.8 0 0.0 39 -1.7 10 27
34 A 34 LYS K H H < 5TS+ 0 0 -71.8 -48.6 179.3 43.2 115.4 17.8 30 -1.4 0 0.0 0 0.0 0 0.0 9 32
35 A 35 TYR Y H H < 5TS+ 0 0 -63.6 -31.7 -179.2 48.0 117.2 35.7 31 -2.0 0 0.0 0 0.0 0 0.0 7 20
36 A 36 THR T T h < 5TS- 0 0 -83.3 -17.9 -178.8 -121.4 110.5 46.4 32 -1.9 0 0.0 0 0.0 0 0.0 7 15
37 A 37 GLY G T T 5TS+ 0 0 83.8 19.4 -179.5 112.6 83.0 47.1 0 0.0 0 0.0 0 0.0 0 0.0 6 14
38 A 38 THR T t T + 0 0 -123.7 21.5 -179.6 150.7 67.6 88.8 70 -2.5 46 -1.8 0 0.0 0 0.0 13 41
44 A 44 LYS K T T 3 TS+ 0 0 -57.4 134.2 178.8 13.1 72.5 109.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
45 A 45 ARG R T T 3 TS+ 0 0 70.8 22.0 176.7 133.4 93.5 42.1 71 -1.3 0 0.0 0 0.0 0 0.0 7 28
46 A 46 LYS K e < T - 0 0 -102.7 140.2 178.4 -154.5 42.1 152.5 43 -1.8 73 -3.0 0 0.0 0 0.0 10 44
47 A 47 ASN N E E Aa - 73 0 -116.3 128.0 -178.3 -168.0 10.5 166.6 0 0.0 102 -2.6 0 0.0 103 -0.6 11 43
48 A 48 ILE I E E Aab - 74 103 -124.3 130.0 178.1 -145.7 12.7 166.4 73 -2.8 75 -2.2 0 0.0 0 0.0 13 60
49 A 49 ALA A E E Aab - 75 104 -91.7 128.8 178.3 -161.2 10.0 142.1 103 -1.7 105 -2.8 0 0.0 51 -0.6 13 58
50 A 50 LEU L E E Aab - 76 105 -113.6 106.2 179.7 -168.9 7.1 161.1 75 -3.2 77 -3.7 0 0.0 52 -0.5 12 61
51 A 51 ILE I E E Aab - 77 106 -97.3 123.1 178.7 -175.0 3.8 148.7 105 -2.6 107 -1.4 49 -0.6 53 -0.5 13 59
52 A 52 PHE F E E A b + 0 107 -123.6 106.7 -179.8 178.1 15.1 158.9 77 -2.7 0 0.0 50 -0.5 0 0.0 14 49
53 A 53 GLU E S e S+ 0 0 -75.2 -20.9 178.2 29.0 85.7 48.4 107 -2.9 0 0.0 51 -0.5 0 0.0 12 41
54 A 54 LYS K S S S- 0 0 -142.8 130.1 179.4 -101.5 101.6 171.4 107 -0.7 0 0.0 0 0.0 0 0.0 8 36
55 A 55 THR T + 0 0 -51.8 132.9 179.5 168.3 42.7 104.4 0 0.0 0 0.0 0 0.0 0 0.0 7 31
56 A 56 SER S h > T - 0 0 -153.2 81.3 -179.5 -178.8 9.8 126.4 0 0.0 60 -3.0 0 0.0 0 0.0 7 39
57 A 57 THR T H H > TS+ 0 0 -52.2 -43.6 179.7 51.7 81.1 31.7 0 0.0 61 -3.1 0 0.0 0 0.0 6 34
58 A 58 ARG R H H > TS+ 0 0 -66.2 -39.8 179.3 40.0 115.4 27.5 0 0.0 62 -1.5 0 0.0 0 0.0 7 42
59 A 59 THR T H H > TS+ 0 0 -74.5 -39.6 179.3 49.9 117.9 24.0 0 0.0 63 -2.1 0 0.0 0 0.0 9 57
60 A 60 ARG R H H X TS+ 0 0 -61.8 -51.1 -179.4 45.4 112.2 20.3 56 -3.0 64 -2.6 0 0.0 0 0.0 9 50
61 A 61 CYS C H H X TS+ 0 0 -62.2 -34.9 179.7 55.2 111.0 29.9 57 -3.1 65 -2.7 0 0.0 0 0.0 9 42
62 A 62 ALA A H H X TS+ 0 0 -64.9 -42.5 177.6 42.9 111.9 26.5 58 -1.5 66 -1.8 0 0.0 0 0.0 11 60
63 A 63 PHE F H H X TS+ 0 0 -69.7 -42.6 -179.5 50.3 114.7 29.5 59 -2.1 67 -2.2 0 0.0 0 0.0 11 63
64 A 64 GLU E H H X TS+ 0 0 -61.9 -52.8 -180.0 44.1 113.0 12.8 60 -2.6 68 -2.6 0 0.0 0 0.0 9 52
65 A 65 VAL V H H X TS+ 0 0 -59.1 -43.9 178.9 50.5 113.9 24.3 61 -2.7 69 -2.8 0 0.0 0 0.0 9 45
66 A 66 ALA A H H X TS+ 0 0 -58.3 -50.9 179.7 45.5 113.4 21.2 62 -1.8 70 -1.5 0 0.0 0 0.0 12 64
67 A 67 ALA A H H < >TS+ 0 0 -58.9 -47.8 179.9 48.6 113.8 27.1 63 -2.2 72 -2.8 0 0.0 0 0.0 14 53
68 A 68 TYR Y H H < >5TS+ 0 0 -62.5 -44.1 179.0 54.4 107.8 24.6 64 -2.6 71 -1.6 0 0.0 0 0.0 9 40
69 A 69 ASP D H H < 35TS+ 0 0 -56.5 -38.3 -179.3 47.2 111.1 31.8 65 -2.8 0 0.0 0 0.0 0 0.0 8 44
70 A 70 GLN Q T h < 35TS- 0 0 -86.3 1.9 177.2 -105.6 122.6 67.0 66 -1.5 43 -2.5 0 0.0 0 0.0 12 48
71 A 71 GLY G T T <5TS+ 0 0 87.7 10.6 -179.1 127.8 76.1 55.4 68 -1.6 45 -1.3 0 0.0 0 0.0 12 31
72 A 72 ALA A t T - 0 0 -73.5 169.4 -179.9 -96.3 29.3 98.8 76 -0.8 82 -0.6 0 0.0 0 0.0 11 32
79 A 79 PRO P T T 4 TS+ 0 0 -57.3 -30.1 178.8 50.6 123.5 41.3 0 0.0 0 0.0 0 0.0 0 0.0 11 29
80 A 80 ASN N T T 4 TS+ 0 0 -75.2 -47.4 178.9 43.0 112.9 21.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
81 A 81 SER S T T 4 TS+ 0 0 -76.6 0.3 -179.0 70.0 113.1 63.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
82 A 82 SER S t < T + 0 0 -131.2 119.6 179.1 140.9 40.1 162.5 78 -0.6 0 0.0 0 0.0 0 0.0 10 37
83 A 83 GLN Q t > > T - 0 0 -148.6 62.1 179.7 -171.1 27.0 119.2 0 0.0 86 -1.5 0 0.0 87 -0.6 9 32
84 A 84 ILE I T T 4 3 TS+ 0 0 -62.5 120.2 -179.9 25.7 77.3 118.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
85 A 85 GLY G T T 4 3 TS+ 0 0 117.7 -37.5 -179.4 79.6 104.4 99.5 88 -2.2 0 0.0 0 0.0 0 0.0 7 29
86 A 86 HIS H T T 4 < TS- 0 0 -64.1 -77.7 -177.3 -2.6 115.9 7.9 83 -1.5 0 0.0 0 0.0 0 0.0 6 19
87 A 87 LYS K S t < TS+ 0 0 -92.9 -19.5 -179.7 28.1 136.8 49.5 83 -0.6 0 0.0 0 0.0 0 0.0 6 15
88 A 88 GLU E S S S- 0 0 -148.6 136.1 -179.2 -113.4 81.0 171.0 0 0.0 85 -2.2 0 0.0 0 0.0 8 19
89 A 89 SER S h > T - 0 0 -65.1 154.6 178.4 -122.7 22.9 100.4 0 0.0 93 -2.2 0 0.0 0 0.0 9 26
90 A 90 MET M H H > TS+ 0 0 -68.3 -23.8 179.6 62.7 113.3 38.7 0 0.0 94 -2.5 0 0.0 0 0.0 11 41
91 A 91 LYS K H H > TS+ 0 0 -67.0 -38.8 179.6 40.4 108.7 20.4 0 0.0 95 -1.3 0 0.0 0 0.0 10 31
92 A 92 ASP D H H > TS+ 0 0 -73.1 -44.5 179.9 49.0 116.2 26.4 0 0.0 96 -1.7 0 0.0 0 0.0 8 28
93 A 93 THR T H H X TS+ 0 0 -61.4 -44.6 -179.5 51.6 110.5 24.2 89 -2.2 97 -2.7 0 0.0 0 0.0 10 42
94 A 94 ALA A H H X TS+ 0 0 -62.2 -37.5 -178.4 52.1 108.3 30.7 90 -2.5 98 -2.2 0 0.0 0 0.0 12 46
95 A 95 ARG R H H < TS+ 0 0 -70.4 -35.0 179.3 42.0 113.8 32.2 91 -1.3 0 0.0 0 0.0 0 0.0 11 31
96 A 96 VAL V H H X > TS+ 0 0 -75.1 -53.8 -179.2 44.5 118.2 12.4 92 -1.7 99 -1.7 0 0.0 100 -0.6 9 30
97 A 97 LEU L H H X > TS+ 0 0 -59.4 -37.4 179.1 61.4 105.5 34.2 93 -2.7 101 -2.7 0 0.0 100 -1.2 11 43
98 A 98 GLY G H H < 3 TS+ 0 0 -63.3 -17.8 179.3 54.0 103.3 44.4 94 -2.2 0 0.0 0 0.0 0 0.0 14 38
99 A 99 ARG R H H 4 < TS+ 0 0 -91.8 -12.8 179.4 33.4 116.6 51.2 96 -1.7 0 0.0 0 0.0 0 0.0 9 27
100 A 100 MET M H H < < TS+ 0 0 -109.7 -32.5 -178.5 54.7 114.3 42.4 97 -1.2 0 0.0 96 -0.6 0 0.0 6 32
101 A 101 TYR Y h < T - 0 0 -107.5 160.1 -179.3 -139.3 65.5 131.6 97 -2.7 0 0.0 0 0.0 0 0.0 12 41
102 A 102 ASP D S S S- 0 0 -88.9 -16.2 178.9 -0.8 87.7 55.6 47 -2.6 0 0.0 0 0.0 0 0.0 11 51
103 A 103 ALA A E E Ab - 48 0 -168.0 154.5 -178.6 -140.2 66.4 159.2 47 -0.6 49 -1.7 0 0.0 0 0.0 12 61
104 A 104 ILE I E E Abc - 49 125 -131.7 133.3 178.3 -157.7 4.0 170.1 124 -2.5 126 -2.8 0 0.0 0 0.0 15 68
105 A 105 GLU E E E Abc - 50 126 -106.1 138.4 177.2 -166.5 13.3 153.2 49 -2.8 51 -2.6 0 0.0 0 0.0 12 80
106 A 106 TYR Y E E Abc + 51 127 -130.2 132.8 -179.2 178.4 13.4 172.3 126 -3.2 128 -3.4 0 0.0 129 -0.8 14 74
107 A 107 ARG R E E Abc + 52 129 -130.7 103.9 -177.3 105.1 38.6 158.5 51 -1.4 53 -2.9 0 0.0 54 -0.7 12 63
108 A 108 GLY G e - 0 0 -147.6 -135.0 -176.9 -80.2 67.8 113.3 129 -2.2 0 0.0 0 0.0 0 0.0 13 52
109 A 109 PHE F S S S+ 0 0 -115.8 -70.5 -178.7 56.8 91.3 38.4 0 0.0 131 -2.5 0 0.0 0 0.0 9 40
110 A 110 LYS K h > > T - 0 0 -77.3 124.1 -179.9 -148.9 62.5 124.7 0 0.0 113 -1.6 0 0.0 114 -0.9 9 35
111 A 111 GLN Q H H > 3 TS+ 0 0 -57.6 -35.9 -179.2 64.2 96.3 31.1 0 0.0 115 -2.1 0 0.0 0 0.0 11 41
112 A 112 GLU E H H > 3 TS+ 0 0 -64.0 -17.7 178.5 60.9 95.0 44.0 0 0.0 116 -1.2 0 0.0 0 0.0 6 35
113 A 113 ILE I H H > < TS+ 0 0 -72.3 -42.7 179.6 45.6 105.8 24.0 110 -1.6 117 -2.2 0 0.0 0 0.0 9 47
114 A 114 VAL V H H X TS+ 0 0 -67.3 -37.7 178.4 51.5 112.5 24.3 110 -0.9 118 -2.9 0 0.0 0 0.0 13 57
115 A 115 GLU E H H X TS+ 0 0 -68.9 -26.0 178.7 48.4 110.5 39.7 111 -2.1 119 -1.2 0 0.0 0 0.0 9 48
116 A 116 GLU E H H X TS+ 0 0 -79.1 -37.5 177.2 52.2 109.8 35.1 112 -1.2 120 -2.0 0 0.0 0 0.0 10 41
117 A 117 LEU L H H X TS+ 0 0 -59.3 -53.6 -179.9 47.2 111.8 9.9 113 -2.2 121 -2.4 0 0.0 0 0.0 12 55
118 A 118 ALA A H H < TS+ 0 0 -59.6 -32.8 -179.7 55.2 108.5 37.4 114 -2.9 0 0.0 0 0.0 0 0.0 13 49
119 A 119 LYS K H H < TS+ 0 0 -69.2 -40.0 -176.4 25.3 122.1 24.0 115 -1.2 0 0.0 0 0.0 0 0.0 7 36
120 A 120 PHE F H H < TS+ 0 0 -105.0 -9.2 -177.0 79.8 99.2 56.0 116 -2.0 0 0.0 0 0.0 0 0.0 10 37
121 A 121 ALA A S h < TS- 0 0 -68.0 -43.2 -178.7 -146.8 73.2 22.4 117 -2.4 0 0.0 0 0.0 0 0.0 15 43
122 A 122 GLY G S S S+ 0 0 88.9 0.9 179.2 77.5 72.5 61.8 0 0.0 0 0.0 0 0.0 0 0.0 9 37
123 A 123 VAL V S S S- 0 0 -135.4 162.5 -179.9 -70.1 99.1 153.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
124 A 124 PRO P e - 0 0 -57.7 141.0 -179.3 -156.6 48.7 107.1 0 0.0 104 -2.5 0 0.0 0 0.0 13 51
125 A 125 VAL V E E Ac - 104 0 -124.6 133.6 -179.6 -161.0 4.8 166.8 0 0.0 9 -2.3 0 0.0 0 0.0 16 65
126 A 126 PHE F E E Aca - 105 9 -117.8 138.7 179.4 -136.4 15.2 158.1 104 -2.8 106 -3.2 0 0.0 128 -0.7 11 78
127 A 127 ASN N E E Ac - 106 0 -94.3 112.2 180.0 -178.7 17.9 146.3 9 -2.4 136 -0.6 0 0.0 0 0.0 15 66
128 A 128 GLY G E E A* - 0 0 -84.2 -12.6 177.8 -36.8 69.9 57.3 106 -3.4 0 0.0 126 -0.7 0 0.0 12 69
129 A 129 LEU L E E Ac + 107 0 154.4 138.4 176.4 170.3 58.3 115.7 106 -0.8 108 -2.2 0 0.0 0 0.0 11 57
130 A 130 THR T - 0 0 -143.5 -176.1 -179.3 -89.4 53.0 145.1 133 -1.8 0 0.0 0 0.0 0 0.0 13 46
131 A 131 ASP D S S S+ 0 0 -72.1 -30.5 -178.8 42.3 123.8 36.9 109 -2.5 167 -1.0 0 0.0 0 0.0 10 39
132 A 132 GLU E S S S+ 0 0 -86.6 -37.3 -177.1 14.4 120.1 35.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
133 A 133 TYR Y - 0 0 -145.8 160.1 177.7 -168.7 35.0 172.5 0 0.0 130 -1.8 0 0.0 0 0.0 13 53
134 A 134 HIS H h > T + 0 0 -141.9 69.1 -179.4 170.5 22.1 128.8 167 -0.6 138 -1.3 0 0.0 0 0.0 14 63
135 A 135 PRO P H H > TS+ 0 0 -52.4 -44.0 -179.7 54.4 73.2 31.9 0 0.0 139 -1.4 0 0.0 0 0.0 14 68
136 A 136 THR T H H > TS+ 0 0 -61.8 -40.3 -179.8 53.0 106.4 23.5 127 -0.6 140 -1.7 0 0.0 0 0.0 11 70
137 A 137 GLN Q H H > TS+ 0 0 -62.6 -38.4 -179.5 54.9 105.0 30.8 0 0.0 141 -2.2 0 0.0 0 0.0 9 71
138 A 138 MET M H H X TS+ 0 0 -64.3 -40.4 179.0 48.2 107.0 30.8 134 -1.3 142 -2.5 0 0.0 0 0.0 11 75
139 A 139 LEU L H H X TS+ 0 0 -67.8 -36.6 179.2 50.6 112.8 26.1 135 -1.4 143 -2.2 0 0.0 0 0.0 13 74
140 A 140 ALA A H H X TS+ 0 0 -67.7 -38.4 -179.7 49.4 110.8 29.0 136 -1.7 144 -2.0 0 0.0 0 0.0 13 66
141 A 141 ASP D H H X TS+ 0 0 -68.4 -48.8 -180.0 45.7 111.7 18.1 137 -2.2 145 -2.5 0 0.0 0 0.0 10 72
142 A 142 VAL V H H X TS+ 0 0 -61.9 -42.0 179.2 51.9 112.2 24.1 138 -2.5 146 -3.6 0 0.0 0 0.0 8 74
143 A 143 LEU L H H X TS+ 0 0 -59.0 -46.9 -178.8 48.9 110.4 18.2 139 -2.2 147 -2.8 0 0.0 0 0.0 12 63
144 A 144 THR T H H X TS+ 0 0 -58.4 -45.4 -179.3 45.1 114.3 22.2 140 -2.0 148 -1.0 0 0.0 0 0.0 11 58
145 A 145 MET M H H < > TS+ 0 0 -63.9 -44.4 -179.7 53.7 112.1 20.2 141 -2.5 148 -0.9 0 0.0 0 0.0 9 59
146 A 146 ARG R H H < > TS+ 0 0 -59.7 -41.7 -179.4 42.7 111.5 31.0 142 -3.6 149 -0.9 0 0.0 0 0.0 11 54
147 A 147 GLU E H H < 3 TS+ 0 0 -82.9 -10.6 178.4 53.2 113.4 53.8 143 -2.8 0 0.0 0 0.0 0 0.0 7 46
148 A 148 HIS H T h < < TS+ 0 0 -109.4 30.5 -179.6 67.0 105.7 94.3 144 -1.0 0 0.0 145 -0.9 0 0.0 6 42
149 A 149 SER S t < T - 0 0 -146.8 155.8 -179.8 -148.5 64.1 168.2 146 -0.9 0 0.0 0 0.0 0 0.0 9 36
150 A 150 ASP D S S S+ 0 0 -101.3 -14.2 179.1 81.0 77.2 53.0 0 0.0 0 0.0 0 0.0 0 0.0 6 23
151 A 151 LYS K S S S- 0 0 -89.7 159.8 178.8 -102.4 87.9 116.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
152 A 152 PRO P g > T - 0 0 -74.6 165.6 -178.5 -90.9 47.1 113.2 0 0.0 155 -2.4 0 0.0 0 0.0 8 29
153 A 153 LEU L G G > TS+ 0 0 -45.4 -47.0 -179.1 54.5 125.6 34.2 0 0.0 156 -1.5 0 0.0 0 0.0 9 47
154 A 154 HIS H G G 3 TS+ 0 0 -68.3 -9.8 178.3 57.2 104.3 55.6 0 0.0 0 0.0 0 0.0 0 0.0 11 43
155 A 155 ASP D G G < TS+ 0 0 -96.4 -6.8 -179.4 104.0 85.5 63.4 152 -2.4 0 0.0 0 0.0 0 0.0 8 36
156 A 156 ILE I e < T - 0 0 -85.0 135.5 177.9 -165.9 51.0 128.5 153 -1.5 182 -2.3 0 0.0 0 0.0 12 52
157 A 157 SER S E E Bd + 182 0 -114.6 143.1 177.1 170.8 12.9 156.0 0 0.0 226 -1.6 0 0.0 227 -0.8 12 60
158 A 158 TYR Y E E Bde - 183 227 -153.9 151.6 -179.8 -153.9 17.6 172.3 182 -2.2 184 -2.7 0 0.0 0 0.0 13 71
159 A 159 ALA A E E Bde - 184 228 -129.2 139.4 177.1 -157.0 3.2 170.3 227 -2.3 229 -3.5 0 0.0 161 -0.5 14 72
160 A 160 TYR Y E E Bde - 185 229 -116.8 125.4 -179.9 -163.4 14.3 169.8 184 -2.3 186 -1.8 0 0.0 0 0.0 12 79
161 A 161 LEU L E E Bde + 186 230 -109.8 143.6 179.1 35.3 46.4 148.3 229 -2.7 231 -0.5 159 -0.5 0 0.0 16 74
162 A 162 GLY G S e S+ 0 0 125.3 -152.5 179.2 0.0 103.0 156.0 186 -1.7 164 -0.6 0 0.0 0 0.0 14 65
163 A 163 ASP D + 0 0 -79.3 117.4 -178.3 173.6 56.1 134.4 0 0.0 0 0.0 0 0.0 0 0.0 13 56
164 A 164 ALA A + 0 0 -104.3 -6.3 -179.7 94.7 52.4 59.3 191 -1.8 166 -1.9 162 -0.6 0 0.0 14 59
165 A 165 ARG R S S S+ 0 0 -86.3 64.5 -178.9 67.4 81.4 115.5 191 -0.6 0 0.0 0 0.0 0 0.0 12 45
166 A 166 ASN N S h > TS- 0 0 -165.0 175.9 -179.6 -69.6 104.9 164.7 164 -1.9 170 -3.6 0 0.0 0 0.0 11 48
167 A 167 ASN N H H > TS+ 0 0 -54.2 -16.5 179.0 49.8 127.3 56.6 131 -1.0 134 -0.6 0 0.0 171 -0.5 12 53
168 A 168 MET M H H > TS+ 0 0 -90.2 -44.4 179.2 39.5 115.2 34.0 0 0.0 172 -2.8 0 0.0 0 0.0 10 60
169 A 169 GLY G H H > TS+ 0 0 -69.4 -43.3 179.1 49.5 118.9 23.3 0 0.0 173 -1.6 0 0.0 0 0.0 14 64
170 A 170 ASN N H H X TS+ 0 0 -59.2 -44.7 -177.6 40.7 117.6 26.0 166 -3.6 174 -1.7 0 0.0 0 0.0 14 62
171 A 171 SER S H H X TS+ 0 0 -75.8 -42.2 179.5 54.6 109.6 26.8 167 -0.5 175 -2.4 0 0.0 0 0.0 12 68
172 A 172 LEU L H H X TS+ 0 0 -61.1 -33.7 179.6 45.9 113.0 29.8 168 -2.8 176 -0.9 0 0.0 0 0.0 10 75
173 A 173 LEU L H H X TS+ 0 0 -73.7 -46.5 179.6 51.9 111.3 23.8 169 -1.6 177 -2.3 0 0.0 0 0.0 13 73
174 A 174 LEU L H H X TS+ 0 0 -58.9 -49.7 -179.6 45.3 110.4 24.3 170 -1.7 178 -1.7 0 0.0 0 0.0 10 69
175 A 175 ILE I H H X TS+ 0 0 -69.1 -27.6 177.8 51.4 112.6 39.7 171 -2.4 179 -0.6 0 0.0 0 0.0 11 74
176 A 176 GLY G H H < >>TS+ 0 0 -71.7 -40.3 -179.7 49.8 110.9 23.5 172 -0.9 181 -2.4 0 0.0 179 -0.6 13 72
177 A 177 ALA A H H < 35TS+ 0 0 -65.5 -33.3 179.5 50.0 109.3 37.1 173 -2.3 0 0.0 0 0.0 0 0.0 17 60
178 A 178 LYS K H H < 35TS+ 0 0 -79.1 -16.9 -177.5 43.8 116.1 48.6 174 -1.7 0 0.0 0 0.0 0 0.0 15 53
179 A 179 LEU L T h < <5TS- 0 0 -114.4 13.3 179.2 -113.9 110.1 77.9 175 -0.6 0 0.0 176 -0.6 0 0.0 12 54
180 A 180 GLY G T T 5T + 0 0 56.8 43.3 178.4 153.0 62.4 25.7 0 0.0 0 0.0 0 0.0 0 0.0 13 42
181 A 181 MET M e T - 0 0 -65.1 143.8 179.9 -114.1 52.1 120.7 0 0.0 191 -1.5 0 0.0 0 0.0 11 39
189 A 189 LYS K G G > TS+ 0 0 -48.5 -35.1 179.9 57.0 116.7 37.7 0 0.0 192 -1.0 0 0.0 0 0.0 7 32
190 A 190 ALA A G G 3 TS+ 0 0 -69.2 -27.2 -179.5 54.2 103.9 37.2 0 0.0 0 0.0 0 0.0 0 0.0 5 29
191 A 191 LEU L G G < TS+ 0 0 -97.5 28.9 178.8 113.0 84.5 90.5 188 -1.5 164 -1.8 0 0.0 165 -0.6 9 45
192 A 192 TRP W S g < TS- 0 0 -95.0 163.2 179.5 -89.7 78.5 124.8 189 -1.0 0 0.0 0 0.0 0 0.0 12 47
193 A 193 PRO P - 0 0 -65.7 160.7 179.6 -78.0 61.4 104.9 0 0.0 0 0.0 0 0.0 0 0.0 11 44
194 A 194 HIS H h > > T - 0 0 -62.4 143.4 -178.9 -126.2 36.0 110.2 0 0.0 198 -2.5 0 0.0 197 -0.6 7 34
195 A 195 ASP D H H > 3 TS+ 0 0 -57.6 -34.7 179.1 57.9 112.2 35.0 0 0.0 199 -2.4 0 0.0 0 0.0 6 26
196 A 196 GLU E H H > 3 TS+ 0 0 -63.7 -37.9 179.1 44.2 110.3 30.3 0 0.0 200 -1.1 0 0.0 0 0.0 6 21
197 A 197 PHE F H H > < TS+ 0 0 -75.9 -40.7 178.8 49.9 112.1 26.1 194 -0.6 201 -1.7 0 0.0 0 0.0 9 39
198 A 198 VAL V H H X TS+ 0 0 -63.6 -36.5 179.8 57.8 107.4 28.4 194 -2.5 202 -1.9 0 0.0 0 0.0 10 45
199 A 199 ALA A H H X TS+ 0 0 -62.4 -37.4 177.7 48.5 105.2 31.5 195 -2.4 203 -1.3 0 0.0 0 0.0 8 29
200 A 200 GLN Q H H X TS+ 0 0 -72.4 -31.3 178.3 50.4 111.5 32.0 196 -1.1 204 -1.4 0 0.0 0 0.0 8 34
201 A 201 CYS C H H X TS+ 0 0 -73.9 -29.6 178.6 55.5 105.4 37.9 197 -1.7 205 -2.0 0 0.0 0 0.0 12 48
202 A 202 LYS K H H X TS+ 0 0 -66.9 -35.3 178.8 55.5 105.0 28.3 198 -1.9 206 -2.2 0 0.0 0 0.0 10 38
203 A 203 LYS K H H X TS+ 0 0 -60.0 -47.3 179.8 41.2 111.7 26.7 199 -1.3 207 -0.7 0 0.0 0 0.0 8 32
204 A 204 PHE F H H X TS+ 0 0 -70.7 -36.5 -178.7 56.5 111.9 38.2 200 -1.4 208 -1.4 0 0.0 0 0.0 10 40
205 A 205 ALA A H H X >TS+ 0 0 -66.1 -38.2 -179.6 53.7 103.0 28.2 201 -2.0 209 -2.2 0 0.0 210 -1.4 16 40
206 A 206 GLU E H H < 5TS+ 0 0 -69.6 -21.7 178.2 47.3 111.1 38.3 202 -2.2 0 0.0 0 0.0 0 0.0 8 29
207 A 207 GLU E H H < 5TS+ 0 0 -87.8 -24.1 -179.7 36.2 120.9 41.2 203 -0.7 0 0.0 0 0.0 0 0.0 7 29
208 A 208 SER S H H < 5TS- 0 0 -105.2 -11.7 179.6 -110.3 108.8 55.8 204 -1.4 0 0.0 0 0.0 0 0.0 11 36
209 A 209 GLY G T h < 5T + 0 0 91.3 15.6 -179.4 148.6 65.6 51.3 205 -2.2 0 0.0 0 0.0 0 0.0 9 31
210 A 210 ALA A t T - 0 0 -94.5 107.0 -179.7 -170.2 55.5 142.7 0 0.0 221 -2.2 0 0.0 0 0.0 8 37
218 A 218 PRO P H H > TS+ 0 0 -61.8 -45.2 179.8 52.3 84.9 30.2 0 0.0 222 -2.2 0 0.0 0 0.0 13 50
219 A 219 LYS K H H 4 TS+ 0 0 -63.0 -30.7 178.7 48.0 112.8 29.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
220 A 220 GLU E H H 4 > TS+ 0 0 -72.8 -45.4 178.5 49.4 110.9 22.8 0 0.0 223 -0.8 0 0.0 0 0.0 6 40
221 A 221 ALA A H H < 3 TS+ 0 0 -63.0 -30.7 -177.9 49.1 112.6 34.8 217 -2.2 0 0.0 0 0.0 0 0.0 13 50
222 A 222 VAL V T h < > TS+ 0 0 -91.6 -2.0 -178.9 124.7 78.1 59.0 218 -2.2 225 -1.4 0 0.0 0 0.0 14 51
223 A 223 LYS K T T < TS- 0 0 -65.6 121.9 179.1 -11.2 89.3 112.2 220 -0.8 0 0.0 0 0.0 0 0.0 9 43
224 A 224 GLY G T T 3 TS+ 0 0 63.7 22.2 -178.1 147.9 98.0 47.3 263 -2.8 0 0.0 0 0.0 0 0.0 8 38
225 A 225 VAL V t < T - 0 0 -87.1 155.1 179.8 -146.7 46.3 117.0 222 -1.4 0 0.0 0 0.0 0 0.0 13 52
226 A 226 ASP D S e S+ 0 0 -91.8 -31.1 -179.0 27.9 80.6 43.9 157 -1.6 269 -2.0 0 0.0 0 0.0 12 55
227 A 227 PHE F E E Beg - 158 269 -138.9 135.5 178.0 -154.1 61.1 178.3 157 -0.8 159 -2.3 0 0.0 229 -0.6 12 72
228 A 228 VAL V E E Beg - 159 270 -109.4 121.3 -179.1 -172.7 21.3 161.8 269 -2.8 271 -3.0 0 0.0 0 0.0 16 77
229 A 229 HIS H E E Beg + 160 271 -113.5 151.9 175.0 154.3 11.9 145.8 159 -3.5 161 -2.7 227 -0.6 0 0.0 11 79
230 A 230 THR T E E Beg - 161 272 -157.7 -176.1 -179.3 -159.4 17.2 156.1 271 -1.3 273 -0.7 0 0.0 0 0.0 13 74
231 A 231 ASP D e - 0 0 -166.1 162.2 179.8 -69.4 41.3 167.7 161 -0.5 0 0.0 0 0.0 0 0.0 12 61
232 A 232 VAL V + 0 0 -62.4 124.6 178.0 170.5 43.2 115.5 0 0.0 0 0.0 0 0.0 0 0.0 10 55
233 A 233 TRP W + 0 0 -106.6 -23.2 179.9 108.2 43.2 50.0 0 0.0 0 0.0 0 0.0 0 0.0 8 56
234 A 234 VAL V S S S- 0 0 -58.4 132.3 -178.3 -116.0 77.1 104.2 0 0.0 236 -0.9 0 0.0 0 0.0 7 52
235 A 235 SER S - 0 0 -80.4 105.5 179.6 -173.6 26.3 130.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
236 A 236 MET M S S S+ 0 0 -67.6 -19.6 179.8 59.5 85.4 44.3 234 -0.9 0 0.0 0 0.0 0 0.0 6 28
237 A 237 GLY G S S S+ 0 0 -74.3 -45.7 179.3 67.4 94.9 23.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
238 A 238 GLU E S S S- 0 0 -75.7 139.6 179.8 -100.1 101.2 120.0 0 0.0 0 0.0 0 0.0 0 0.0 8 19
239 A 239 PRO P g > T - 0 0 -61.9 144.2 -179.2 -112.0 31.1 112.6 0 0.0 242 -2.5 0 0.0 0 0.0 8 24
240 A 240 VAL V G G > TS+ 0 0 -46.3 -30.7 -179.5 64.4 116.8 39.9 0 0.0 243 -1.2 0 0.0 0 0.0 9 34
241 A 241 GLU E G G 3 TS+ 0 0 -66.5 -30.8 -178.9 51.4 99.2 39.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
242 A 242 ALA A G G < TS+ 0 0 -94.1 15.7 -179.0 86.2 87.1 74.1 239 -2.5 0 0.0 0 0.0 0 0.0 7 22
243 A 243 TRP W h > < T + 0 0 -89.2 -15.6 -177.8 103.0 53.1 51.4 240 -1.2 247 -2.3 0 0.0 0 0.0 11 32
244 A 244 GLY G H H > TS+ 0 0 -36.1 -45.2 -179.2 42.1 84.8 42.9 0 0.0 248 -1.7 0 0.0 0 0.0 7 29
245 A 245 GLU E H H > TS+ 0 0 -74.4 -48.8 179.5 49.0 113.4 22.5 0 0.0 249 -3.1 0 0.0 0 0.0 7 27
246 A 246 ARG R H H > TS+ 0 0 -60.5 -34.0 178.7 48.2 114.5 32.7 0 0.0 250 -2.3 0 0.0 0 0.0 8 37
247 A 247 ILE I H H X TS+ 0 0 -69.6 -46.7 179.7 49.5 111.3 20.9 243 -2.3 251 -2.5 0 0.0 0 0.0 9 44
248 A 248 LYS K H H < TS+ 0 0 -55.2 -48.1 -179.0 42.9 117.1 20.2 244 -1.7 0 0.0 0 0.0 0 0.0 8 30
249 A 249 GLU E H H < TS+ 0 0 -68.1 -39.2 -176.6 34.3 123.0 35.9 245 -3.1 0 0.0 0 0.0 0 0.0 8 34
250 A 250 LEU L H H < > TS+ 0 0 -98.7 -11.6 -179.4 89.3 92.3 55.3 246 -2.3 253 -1.4 0 0.0 0 0.0 13 45
251 A 251 LEU L G h < > TS+ 0 0 -57.5 -36.7 179.8 60.0 79.9 36.6 247 -2.5 254 -1.6 0 0.0 0 0.0 9 48
252 A 252 PRO P G G 3 TS+ 0 0 -66.9 -16.1 -179.8 57.6 101.1 45.2 0 0.0 0 0.0 0 0.0 0 0.0 7 47
253 A 253 TYR Y G G < TS+ 0 0 -93.3 4.0 179.4 126.3 80.8 66.9 250 -1.4 0 0.0 0 0.0 0 0.0 11 58
254 A 254 GLN Q g < T - 0 0 -63.5 141.3 179.3 -122.2 64.2 107.6 251 -1.6 256 -0.8 0 0.0 0 0.0 11 61
255 A 255 VAL V B B b + 301 0 -91.7 110.1 -179.8 147.6 49.7 140.3 300 -3.6 302 -1.4 0 0.0 0 0.0 14 65
256 A 256 ASN N h > T - 0 0 -126.8 -172.6 -179.4 -81.9 65.6 127.5 254 -0.8 260 -2.1 0 0.0 0 0.0 10 54
257 A 257 MET M H H > TS+ 0 0 -63.0 -34.3 180.0 58.5 125.9 34.2 0 0.0 261 -2.5 0 0.0 0 0.0 9 45
258 A 258 GLU E H H > TS+ 0 0 -62.4 -47.9 177.8 43.9 108.0 23.1 0 0.0 262 -3.2 0 0.0 0 0.0 7 38
259 A 259 ILE I H H 4 TS+ 0 0 -64.4 -39.2 179.2 54.0 112.6 24.5 0 0.0 0 0.0 0 0.0 0 0.0 11 55
260 A 260 MET M H H < > TS+ 0 0 -61.6 -38.0 178.9 43.3 112.9 25.7 256 -2.1 263 -0.8 0 0.0 0 0.0 12 51
261 A 261 LYS K H H < > TS+ 0 0 -72.0 -42.6 -179.3 65.8 103.5 21.0 257 -2.5 264 -2.7 0 0.0 0 0.0 9 36
262 A 262 ALA A T h < 3 TS+ 0 0 -57.5 -8.9 179.7 75.0 83.8 59.8 258 -3.2 0 0.0 0 0.0 0 0.0 9 36
263 A 263 THR T T T < TS- 0 0 -75.1 -23.6 -179.0 -142.5 93.4 41.5 260 -0.8 224 -2.8 0 0.0 0 0.0 12 43
264 A 264 GLY G t < T + 0 0 68.5 22.0 -179.3 109.9 65.7 44.0 261 -2.7 0 0.0 0 0.0 0 0.0 8 29
265 A 265 ASN N - 0 0 -132.3 122.7 179.8 -162.5 54.8 174.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
266 A 266 PRO P S S S+ 0 0 -77.9 -10.6 -179.8 56.6 95.0 52.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
267 A 267 ARG R S S S+ 0 0 -93.5 -17.1 -179.0 120.8 78.6 53.8 0 0.0 0 0.0 0 0.0 0 0.0 5 36
268 A 268 ALA A - 0 0 -50.2 146.2 179.9 -154.5 47.6 94.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
269 A 269 LYS K E E Bg - 227 0 -125.5 160.9 179.4 -122.9 9.6 151.0 226 -2.0 228 -2.8 0 0.0 0 0.0 10 57
270 A 270 PHE F E E Bgc - 228 311 -104.7 143.5 179.3 -172.3 24.0 146.9 310 -3.5 312 -1.9 0 0.0 0 0.0 12 68
271 A 271 MET M E E Bg + 229 0 -137.8 142.3 179.9 165.5 11.9 170.9 228 -3.0 230 -1.3 0 0.0 0 0.0 12 70
272 A 272 HIS H E E Bg - 230 0 -151.7 138.0 -178.4 -139.2 33.2 164.7 0 0.0 0 0.0 0 0.0 0 0.0 10 68
273 A 273 CYS C e - 0 0 -83.5 -1.6 176.9 -94.9 64.4 57.1 230 -0.7 0 0.0 0 0.0 0 0.0 11 63
274 A 274 LEU L S S S+ 0 0 62.1 151.2 -0.4 81.4 96.0 62.0 0 0.0 0 0.0 0 0.0 0 0.0 7 51
275 A 275 PRO P - 0 0 -71.9 151.4 179.6 -168.2 66.4 53.8 0 0.0 0 0.0 0 0.0 0 0.0 6 47
276 A 276 ALA A - 0 0 -111.3 146.1 177.7 -139.0 24.5 149.7 0 0.0 278 -0.9 0 0.0 0 0.0 10 51
277 A 277 PHE F + 0 0 -102.5 79.1 -177.3 143.0 47.6 137.2 0 0.0 299 -3.0 0 0.0 301 -0.6 11 51
278 A 278 HIS H - 0 0 -102.8 8.8 179.1 -1.6 64.7 77.2 276 -0.9 0 0.0 0 0.0 0 0.0 12 50
279 A 279 ASN N S S S- 0 0 -172.8 -171.3 -179.5 -92.8 73.2 164.0 0 0.0 0 0.0 0 0.0 0 0.0 13 38
280 A 280 SER S S S S+ 0 0 -102.4 -1.4 -179.8 107.8 84.7 69.0 0 0.0 0 0.0 0 0.0 0 0.0 14 32
281 A 281 GLU E S S S+ 0 0 -53.9 -14.9 178.6 74.0 70.3 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
282 A 282 THR T S h > TS- 0 0 -94.4 172.8 179.3 -121.5 88.7 115.9 0 0.0 286 -0.9 0 0.0 0 0.0 7 25
283 A 283 LYS K H H > TS+ 0 0 -81.5 -36.6 177.8 43.8 117.5 34.6 0 0.0 287 -1.0 0 0.0 0 0.0 7 23
284 A 284 VAL V H H > > TS+ 0 0 -70.3 -45.6 179.6 53.5 113.1 17.1 0 0.0 288 -2.5 0 0.0 287 -1.1 7 33
285 A 285 GLY G H H > 3 TS+ 0 0 -57.9 -31.8 179.1 54.9 104.5 38.8 0 0.0 289 -2.2 0 0.0 0 0.0 12 38
286 A 286 LYS K H H X 3 TS+ 0 0 -72.3 -30.8 178.6 46.9 109.9 37.5 282 -0.9 290 -0.5 0 0.0 0 0.0 11 28
287 A 287 GLN Q H H X X TS+ 0 0 -74.0 -48.4 179.5 50.5 110.9 25.4 284 -1.1 291 -1.8 283 -1.0 290 -0.8 9 32
288 A 288 ILE I H H X 3 TS+ 0 0 -53.1 -50.9 179.8 57.4 105.3 16.0 284 -2.5 292 -3.0 0 0.0 0 0.0 13 43
289 A 289 ALA A H H < 3 TS+ 0 0 -51.2 -28.8 -179.8 52.0 107.3 40.7 285 -2.2 0 0.0 0 0.0 0 0.0 12 34
290 A 290 GLU E H H < < TS+ 0 0 -73.2 -61.2 -179.4 36.9 113.4 15.4 287 -0.8 0 0.0 286 -0.5 0 0.0 8 27
291 A 291 GLN Q H H < TS+ 0 0 -62.2 -30.9 -179.5 28.3 136.2 35.0 287 -1.8 0 0.0 0 0.0 0 0.0 8 29
292 A 292 TYR Y h < > T - 0 0 -137.2 87.5 179.9 -177.6 67.3 141.7 288 -3.0 295 -1.5 0 0.0 0 0.0 8 34
293 A 293 PRO P G G > TS+ 0 0 -53.9 -26.8 -179.8 66.6 82.8 45.0 0 0.0 296 -1.0 0 0.0 0 0.0 8 27
294 A 294 ASN N G G > TS+ 0 0 -67.4 -34.4 -179.8 59.1 91.9 33.2 0 0.0 297 -0.8 0 0.0 0 0.0 6 32
295 A 295 LEU L G G X TS+ 0 0 -85.8 26.8 179.7 104.1 74.2 88.1 292 -1.5 298 -0.6 0 0.0 0 0.0 10 47
296 A 296 ALA A G G < TS+ 0 0 -82.8 -13.6 178.5 46.9 81.2 52.9 293 -1.0 0 0.0 0 0.0 0 0.0 14 35
297 A 297 ASN N G G < TS- 0 0 -112.8 19.1 179.4 -53.0 131.2 77.9 294 -0.8 303 -2.2 0 0.0 0 0.0 10 37
298 A 298 GLY G B B D < T - 302 0 125.2 153.2 -179.6 -138.9 39.5 109.6 295 -0.6 0 0.0 0 0.0 0 0.0 12 53
299 A 299 ILE I S S S+ 0 0 -108.0 -74.9 179.4 8.5 95.2 35.1 277 -3.0 0 0.0 301 -0.5 0 0.0 13 61
300 A 300 GLU E S S S+ 0 0 -81.2 -22.0 178.2 16.7 143.8 43.2 0 0.0 255 -3.6 0 0.0 0 0.0 16 64
301 A 301 VAL V B B b S- 255 0 -144.8 148.7 -178.8 -124.1 84.3 166.5 277 -0.6 299 -0.5 0 0.0 0 0.0 14 61
302 A 302 THR T B h > D > T - 298 0 -100.8 155.4 -178.5 -115.3 22.3 132.9 255 -1.4 306 -3.2 0 0.0 305 -0.6 14 53
303 A 303 GLU E H H > 3 TS+ 0 0 -53.3 -34.0 179.2 61.5 114.4 36.3 297 -2.2 307 -3.1 0 0.0 0 0.0 10 42
304 A 304 ASP D H H 4 3 TS+ 0 0 -56.5 -54.5 179.6 34.0 113.3 23.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34
305 A 305 VAL V H H 4 X TS+ 0 0 -68.9 -46.1 -177.9 53.1 119.3 22.2 302 -0.6 308 -1.0 0 0.0 311 -0.6 14 43
306 A 306 PHE F H H < 3 TS+ 0 0 -61.5 -44.2 179.7 44.5 110.3 27.3 302 -3.2 308 -0.7 0 0.0 0 0.0 10 47
307 A 307 GLU E T h < 3 TS+ 0 0 -98.7 55.1 179.0 86.5 103.8 110.8 303 -3.1 0 0.0 0 0.0 0 0.0 7 34
308 A 308 SER S S t X TS- 0 0 -143.4 166.8 179.8 -94.7 94.7 156.9 305 -1.0 311 -1.8 306 -0.7 0 0.0 7 32
309 A 309 PRO P T T 3 TS+ 0 0 -59.0 -11.6 178.6 73.0 116.2 55.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
310 A 310 TYR Y T T 3 TS+ 0 0 -67.6 -40.0 -176.9 87.5 79.8 33.7 0 0.0 270 -3.5 0 0.0 0 0.0 9 44
311 A 311 ASN N B B c < T + 270 0 -70.9 116.8 176.6 158.8 37.7 123.8 308 -1.8 0 0.0 305 -0.6 0 0.0 12 48
312 A 312 ILE I h > > T + 0 0 -119.8 18.4 -178.7 121.2 36.5 83.7 270 -1.9 316 -2.4 0 0.0 315 -0.8 10 46
313 A 313 ALA A H H > 3 TS+ 0 0 -53.1 -32.4 -178.6 53.9 71.5 39.7 0 0.0 317 -1.9 0 0.0 0 0.0 11 51
314 A 314 PHE F H H > 3 TS+ 0 0 -77.2 -30.4 176.6 46.4 108.5 34.1 0 0.0 318 -1.9 0 0.0 0 0.0 7 37
315 A 315 GLU E H H > < TS+ 0 0 -71.4 -44.5 178.8 53.0 112.7 21.5 312 -0.8 319 -2.9 0 0.0 0 0.0 8 45
316 A 316 GLN Q H H < TS+ 0 0 -54.7 -44.2 179.7 48.7 108.9 26.6 312 -2.4 0 0.0 0 0.0 0 0.0 13 50
317 A 317 ALA A H H < > TS+ 0 0 -67.9 -36.6 178.1 51.4 110.0 29.1 313 -1.9 320 -0.9 0 0.0 0 0.0 12 48
318 A 318 GLU E H H X > TS+ 0 0 -64.6 -41.7 -179.1 61.5 101.9 23.9 314 -1.9 321 -2.1 0 0.0 322 -1.0 8 49
319 A 319 ASN N H H X 3 TS+ 0 0 -61.6 -7.7 178.8 75.5 86.5 56.7 315 -2.9 323 -1.5 0 0.0 0 0.0 12 55
320 A 320 ARG R H H > < TS+ 0 0 -73.9 -29.1 179.8 45.0 98.4 41.9 317 -0.9 324 -1.1 0 0.0 0 0.0 14 58
321 A 321 MET M H H > < TS+ 0 0 -81.8 -50.0 179.0 49.3 110.8 23.6 318 -2.1 325 -1.8 0 0.0 0 0.0 13 56
322 A 322 HIS H H H X TS+ 0 0 -56.7 -35.7 179.3 51.2 113.5 28.5 318 -1.0 326 -1.5 0 0.0 0 0.0 13 59
323 A 323 THR T H H X TS+ 0 0 -68.4 -47.0 178.9 47.9 107.6 27.1 319 -1.5 327 -1.7 0 0.0 0 0.0 14 63
324 A 324 ILE I H H X TS+ 0 0 -66.2 -28.2 179.9 57.9 108.6 34.3 320 -1.1 328 -2.9 0 0.0 0 0.0 12 76
325 A 325 LYS K H H X TS+ 0 0 -68.7 -41.3 178.0 51.7 102.9 22.8 321 -1.8 329 -3.6 0 0.0 0 0.0 14 74
326 A 326 ALA A H H X TS+ 0 0 -61.1 -36.4 179.3 49.6 111.1 25.2 322 -1.5 330 -2.7 0 0.0 0 0.0 12 66
327 A 327 ILE I H H X TS+ 0 0 -67.0 -46.1 178.6 43.7 113.8 19.0 323 -1.7 331 -1.9 0 0.0 0 0.0 10 73
328 A 328 LEU L H H X >TS+ 0 0 -63.2 -49.4 -179.4 46.0 117.8 19.3 324 -2.9 332 -3.3 0 0.0 333 -0.6 10 72
329 A 329 VAL V H H X 5TS+ 0 0 -63.2 -49.2 179.7 45.3 113.7 22.3 325 -3.6 333 -1.6 0 0.0 0 0.0 11 64
330 A 330 SER S H H < 5TS+ 0 0 -62.3 -33.7 -178.2 39.6 122.4 29.5 326 -2.7 4 -0.5 0 0.0 0 0.0 12 52
331 A 331 THR T H H < 5TS+ 0 0 -81.4 -46.6 -175.2 14.4 133.1 24.0 327 -1.9 6 -2.1 0 0.0 0 0.0 12 52
332 A 332 LEU L H H < 5TS+ 0 0 -109.8 -20.0 -177.4 110.1 91.7 48.3 328 -3.3 0 0.0 0 0.0 0 0.0 9 49
333 A 333 ALA A S h < 5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 bbbbb bridge-2
bridge-1 a aaaaa aaaaa bridge-1
sheets AAAAAA AAAAA sheets
4-turns >>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >444<>444< >>>>XX5555< 5-turns
3-turns >33< >>3<< >>3<< >33< >>3<< >33< 3-turns
bridge-2 cccc a eeee fffff bridge-2
bridge-1 bbbbb ccc*c ddddd ddddd bridge-1
sheets AAAAA AAAAA BBBBB BBBBB sheets
4-turns < >>>>XXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXX 4-turns
summary hSEEEEEeShHHHHHHHHHHhSSeEEEEE SS hHHHHHHHHHHHHHhtSSgGGGeEEEEEe ShHHHHHHHHHHHHhTeEEEEEegGGGg hHHHHHH summary
sequence YDAIEYRGFKQEIVEELAKFAGVPVFNGLTDEYHPTQMLADVLTMREHSDKPLHDISYAYLGDARNNMGNSLLLIGAKLGMDVRIAAPKALWPHDEFVAQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHT EEEEES HHHHTTT SEEEE S SSS GGG HHHHHHHGGG B HHHHHTT SS EEEE S SSSSHHHHHHHHH GGGGGBSS Kabs/Sand
chirality +++++++-+----+-+-+++++-+-+--+--++--++--++++++++++++++-+-++++++-+-++---+--+--+--++-+++++++++-++++--++ chirality
bends SSSSSSSS S SSSSSSS S S SSS SSS SSSSSSSSSS SSSSSSS SS S SSSSSSSSSSSSS SSSSS SS bends
turns TTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >3><3< >>3<< >>3<< >>3<< >33X33< >>>X<<< 3-turns
bridge-2 gggg c bridge-2
bridge-1 fffff eeee b gggg D bridge-1
sheets BBBBB BBBB BBBB sheets
4-turns XXXXX<<<< >>44<< >>>>X<<<< >>>4<<< >>>>XXX<<<< 4-turns
summary HHHHHHHHhtEEEEEShHHHHhTTteEEEEe S SSSgGGGhHHHHHHHhGGgBhHHHHHhTt SS EEEEeS SSShHHHHHHHHHhGGGGGBSS summary
sequence CKKFAEESGAKLTLTEDPKEAVKGVDFVHTDVWVSMGEPVEAWGERIKELLPYQVNMEIMKATGNPRAKFMHCLPAFHNSETKVGKQIAEQYPNLANGIE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand BBHHHHTSTTB HHHHHHHHHHHHHHHHHHHHS Kabs/Sand
chirality --+++++-++++++++++++++++++++++++- chirality
bends S SSSSSSSS SSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33X33<>33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bD c bridge-1
sheets sheets
4-turns >>44<< >>>><>XXXXXXXX<<<< 4-turns
summary BhHHHHhtTTBhHHHHHHHHHHHHHHHHHHHHh summary
sequence VTEDVFESPYNIAFEQAENRMHTIKAILVSTLADI sequence
310 320 330