Secondary structure calculation program - copyright by David Keith Smith, 1989
1fnoA.pdb
1FNO HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 393
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 2 ASP D 0 0 999.9 171.1 -178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
2 A 3 LYS K h > T + 0 0 73.8 10.2 178.4 123.0 999.9 58.2 0 0.0 6 -3.4 0 0.0 0 0.0 6 29
3 A 4 LEU L H H > TS+ 0 0 -61.0 -55.6 -179.8 37.8 82.3 10.1 0 0.0 7 -2.6 0 0.0 0 0.0 10 42
4 A 5 LEU L H H > TS+ 0 0 -58.7 -50.8 -179.1 50.2 118.4 20.4 0 0.0 8 -2.9 0 0.0 0 0.0 9 47
5 A 6 GLU E H H > TS+ 0 0 -56.2 -49.7 178.2 46.6 111.6 24.6 0 0.0 9 -2.3 0 0.0 0 0.0 7 34
6 A 7 ARG R H H X TS+ 0 0 -58.7 -46.0 -177.6 51.6 113.5 19.2 2 -3.4 10 -2.5 0 0.0 0 0.0 9 43
7 A 8 PHE F H H X TS+ 0 0 -56.1 -60.6 179.4 42.9 111.9 14.2 3 -2.6 11 -2.7 0 0.0 0 0.0 12 64
8 A 9 LEU L H H X TS+ 0 0 -54.3 -36.6 179.6 56.5 112.1 33.9 4 -2.9 12 -2.0 0 0.0 0 0.0 9 50
9 A 10 HIS H H H < TS+ 0 0 -61.9 -47.6 -179.5 41.7 111.6 19.0 5 -2.3 0 0.0 0 0.0 0 0.0 8 44
10 A 11 TYR Y H H < > TS+ 0 0 -67.7 -37.0 -178.5 56.7 111.0 29.2 6 -2.5 13 -1.3 0 0.0 0 0.0 10 54
11 A 12 VAL V H H < 3 TS+ 0 0 -64.2 -33.7 179.6 61.8 98.7 30.1 7 -2.7 0 0.0 0 0.0 0 0.0 13 60
12 A 13 SER S T h < 3 TS+ 0 0 -67.1 -14.7 -179.8 87.1 89.4 50.1 8 -2.0 0 0.0 0 0.0 0 0.0 10 47
13 A 14 LEU L S t < TS- 0 0 -92.6 130.0 179.5 -129.7 80.7 139.4 10 -1.3 15 -0.8 0 0.0 0 0.0 12 47
14 A 15 ASP D + 0 0 -77.1 112.8 -176.5 155.7 42.7 129.6 0 0.0 0 0.0 0 0.0 0 0.0 10 50
15 A 16 THR T + 0 0 -127.4 19.9 178.7 152.8 12.4 82.8 13 -0.8 78 -0.8 0 0.0 0 0.0 15 60
16 A 17 GLN Q B B a - 78 0 -54.2 138.7 178.7 -133.2 37.9 103.2 0 0.0 0 0.0 0 0.0 0 0.0 14 56
17 A 18 SER S - 0 0 -82.3 178.6 178.8 -133.2 11.9 99.3 78 -2.4 0 0.0 0 0.0 0 0.0 15 49
18 A 19 LYS K - 0 0 -145.3 122.2 -178.8 -127.0 14.2 160.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
19 A 20 SER S S S S+ 0 0 -62.6 155.4 177.5 15.0 85.3 100.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
20 A 21 GLY G S S S+ 0 0 46.4 54.1 175.9 138.6 82.4 29.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
21 A 22 VAL V - 0 0 -119.4 150.6 -179.6 -150.4 45.5 154.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
22 A 23 ARG R S S S+ 0 0 -88.7 -37.2 -179.3 83.4 74.5 33.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
23 A 24 GLN Q S S S- 0 0 -69.5 141.3 177.7 -120.4 81.5 113.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
24 A 25 VAL V S S S+ 0 0 -129.4 119.8 -0.4 37.7 103.8 171.3 0 0.0 0 0.0 0 0.0 0 0.0 11 42
25 A 26 PRO P S S S- 0 0 -67.4 153.2 -178.3 -153.8 87.8 60.3 0 0.0 0 0.0 0 0.0 0 0.0 12 48
26 A 27 SER S S S S+ 0 0 -73.1 -17.8 -178.4 40.2 72.4 51.1 0 0.0 0 0.0 0 0.0 0 0.0 11 41
27 A 28 THR T S h > > TS- 0 0 -138.3 147.7 -178.6 -131.5 71.8 171.4 0 0.0 30 -0.8 0 0.0 31 -0.6 11 44
28 A 29 GLU E H H > > TS+ 0 0 -62.0 -38.3 -179.6 70.4 101.1 29.5 0 0.0 31 -1.3 0 0.0 32 -1.2 8 35
29 A 30 GLY G H H > > TS+ 0 0 -47.7 -38.8 179.6 57.9 93.1 32.9 0 0.0 33 -1.4 0 0.0 32 -0.5 10 43
30 A 31 GLN Q H H > < TS+ 0 0 -61.4 -38.1 179.0 53.9 101.7 30.5 27 -0.8 34 -2.2 0 0.0 0 0.0 15 59
31 A 32 TRP W H H X < TS+ 0 0 -67.2 -25.3 178.8 60.9 102.4 41.7 28 -1.3 35 -1.9 27 -0.6 0 0.0 10 41
32 A 33 LYS K H H X < TS+ 0 0 -65.8 -47.9 -178.7 39.1 109.5 19.8 28 -1.2 36 -1.7 29 -0.5 0 0.0 10 43
33 A 34 LEU L H H X TS+ 0 0 -72.4 -34.7 179.1 54.9 114.0 31.5 29 -1.4 37 -2.8 0 0.0 0 0.0 12 53
34 A 35 LEU L H H X TS+ 0 0 -65.6 -39.2 179.2 48.2 108.7 27.4 30 -2.2 38 -2.6 0 0.0 0 0.0 14 59
35 A 36 ARG R H H X TS+ 0 0 -68.7 -38.4 177.8 51.0 111.1 27.1 31 -1.9 39 -2.4 0 0.0 0 0.0 8 41
36 A 37 LEU L H H X TS+ 0 0 -62.4 -48.1 179.6 46.1 112.2 18.8 32 -1.7 40 -2.6 0 0.0 0 0.0 8 43
37 A 38 LEU L H H X TS+ 0 0 -60.3 -44.5 -178.6 55.4 109.9 20.0 33 -2.8 41 -2.4 0 0.0 0 0.0 8 61
38 A 39 LYS K H H X TS+ 0 0 -53.2 -52.0 179.1 45.0 110.0 21.0 34 -2.6 42 -1.9 0 0.0 0 0.0 12 43
39 A 40 GLN Q H H X TS+ 0 0 -57.8 -49.9 -179.4 51.6 111.9 20.6 35 -2.4 43 -2.8 0 0.0 0 0.0 8 28
40 A 41 GLN Q H H < TS+ 0 0 -59.1 -32.5 179.5 52.4 108.6 34.5 36 -2.6 0 0.0 0 0.0 0 0.0 7 41
41 A 42 LEU L H H < TS+ 0 0 -69.7 -39.7 179.3 48.3 109.9 26.0 37 -2.4 45 -2.1 0 0.0 0 0.0 10 41
42 A 43 GLU E H H < T 0 0 -61.5 -57.3 178.7 999.9 999.9 13.4 38 -1.9 0 0.0 0 0.0 0 0.0 9 26
43!A 44 GLU E h < T 0 0 -53.2 999.9 999.9 999.9 999.9 36.2 39 -2.8 0 0.0 0 0.0 0 0.0 6 22
44!A 46 GLY G 0 0 999.9 15.1 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
45 A 47 LEU L - 0 0 -69.4 163.3 -177.4 -129.8 999.9 107.2 41 -2.1 0 0.0 0 0.0 0 0.0 11 38
46 A 48 VAL V B B B S+ 58 0 -116.6 161.6 179.8 24.1 75.2 136.4 58 -3.5 58 -2.5 0 0.0 0 0.0 9 33
47 A 49 ASN N S S S+ 0 0 55.5 38.3 178.9 176.3 74.3 34.4 0 0.0 0 0.0 0 0.0 0 0.0 6 34
48 A 50 ILE I + 0 0 -73.8 131.8 179.7 168.3 3.4 123.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38
49 A 51 THR T - 0 0 -151.5 139.3 179.6 -158.4 28.2 170.7 0 0.0 51 -0.6 0 0.0 0 0.0 7 39
50 A 52 LEU L - 0 0 -118.7 110.2 -179.1 -143.1 24.9 163.3 0 0.0 0 0.0 0 0.0 0 0.0 10 42
51 A 53 SER S t > T - 0 0 -67.7 167.1 177.6 -108.6 26.0 97.1 55 -2.0 54 -1.7 49 -0.6 0 0.0 7 37
52 A 54 GLU E T T 3 TS+ 0 0 -66.2 -23.2 178.9 59.6 122.8 42.7 0 0.0 0 0.0 0 0.0 0 0.0 5 30
53 A 55 LYS K T T 3 TS- 0 0 -88.6 10.0 178.9 -108.0 122.6 72.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
54 A 56 GLY G t < T + 0 0 74.5 23.4 177.6 143.6 68.4 44.1 51 -1.7 56 -0.6 0 0.0 0 0.0 12 46
55 A 57 THR T 0 0 -99.2 123.9 -179.8 999.9 999.9 150.8 0 0.0 51 -2.0 0 0.0 0 0.0 13 56
56!A 58 LEU L E E AA 164 0 -94.9 999.9 999.9 999.9 999.9 144.0 164 -2.4 164 -1.9 54 -0.6 0 0.0 12 58
57!A 60 ALA A E E A* 0 0 999.9 156.4 -177.2 999.9 999.9 999.9 0 0.0 162 -2.3 0 0.0 0 0.0 12 54
58 A 61 THR T E E AAB - 161 46 -131.9 133.1 175.2 -160.0 999.9 171.2 46 -2.5 46 -3.5 0 0.0 0 0.0 11 50
59 A 62 LEU L E E AA - 160 0 -105.8 114.8 -179.4 -125.9 37.8 163.8 160 -2.4 160 -2.5 0 0.0 0 0.0 12 53
60 A 63 PRO P - 0 0 -64.9 154.1 177.8 -76.0 33.6 101.3 0 0.0 0 0.0 0 0.0 0 0.0 9 44
61 A 64 ALA A - 0 0 -49.8 141.8 -178.2 -151.9 30.3 97.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
62 A 65 ASN N S S S+ 0 0 -83.7 -34.2 -174.5 19.8 79.9 46.0 157 -3.6 0 0.0 0 0.0 0 0.0 9 39
63 A 66 VAL V S S S- 0 0 -133.5 174.0 178.6 -102.2 84.6 142.1 157 -1.0 0 0.0 0 0.0 0 0.0 7 29
64 A 67 GLU E + 0 0 -97.2 175.7 -179.2 92.0 63.2 117.1 0 0.0 0 0.0 0 0.0 0 0.0 7 23
65 A 68 GLY G S S S- 0 0 121.9 164.6 179.1 -68.4 88.0 115.8 0 0.0 67 -1.4 0 0.0 0 0.0 5 20
66 A 69 ASP D + 0 0 -89.8 83.3 -178.7 165.6 67.9 130.8 393 -0.7 0 0.0 0 0.0 0 0.0 5 25
67 A 70 ILE I - 0 0 -103.0 130.1 179.8 -118.0 37.7 147.6 65 -1.4 0 0.0 0 0.0 0 0.0 11 35
68 A 71 PRO P - 0 0 -67.5 136.4 177.6 -119.3 28.4 115.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
69 A 72 ALA A e - 0 0 -71.7 135.0 178.8 -166.4 34.6 122.9 0 0.0 185 -2.5 0 0.0 186 -0.7 12 54
70 A 73 ILE I E E Abc - 186 160 -121.8 161.6 -178.8 -144.4 3.0 148.1 159 -1.8 161 -3.2 0 0.0 0 0.0 13 68
71 A 74 GLY G E E Abc - 187 161 -132.4 159.1 178.9 -154.9 10.0 155.8 186 -1.5 188 -1.6 0 0.0 0 0.0 13 74
72 A 75 PHE F E E Abc - 188 162 -131.3 130.9 -175.4 -165.6 18.0 177.1 161 -2.2 163 -2.0 0 0.0 0 0.0 13 78
73 A 76 ILE I E E Abc + 189 163 -128.1 135.8 177.6 169.5 12.3 164.1 188 -2.4 190 -2.6 0 0.0 0 0.0 14 75
74 A 77 SER S E E A c - 0 164 -135.3 156.2 -179.7 -126.8 26.8 158.2 163 -2.0 165 -2.6 0 0.0 0 0.0 15 74
75 A 78 HIS H E E A c - 0 165 -111.6 147.3 -173.6 -150.6 7.5 149.3 0 0.0 0 0.0 0 0.0 0 0.0 14 80
76 A 79 VAL V e + 0 0 -89.5 -23.8 -178.9 83.2 63.7 45.5 165 -4.5 0 0.0 0 0.0 0 0.0 16 74
77 A 80 ASP D - 0 0 -88.4 154.2 177.7 -139.5 62.6 120.4 166 -0.6 0 0.0 0 0.0 0 0.0 13 72
78 A 81 THR T B B a - 16 0 -108.5 152.7 -177.2 -74.1 41.5 142.1 15 -0.8 17 -2.4 0 0.0 0 0.0 12 66
79 A 82 SER S t > T - 0 0 -48.8 140.1 179.0 -143.5 22.2 88.8 0 0.0 82 -0.9 0 0.0 0 0.0 11 52
80 A 83 PRO P T T 3 TS+ 0 0 -73.6 -24.0 -177.9 83.4 91.2 37.1 0 0.0 0 0.0 0 0.0 0 0.0 10 41
81 A 84 ASP D T T 3 TS+ 0 0 -58.4 -7.4 178.6 5.7 105.7 60.7 0 0.0 0 0.0 0 0.0 0 0.0 6 33
82 A 85 PHE F S t < TS- 0 0 -169.3 156.0 -176.5 -82.6 93.4 160.1 79 -0.9 0 0.0 0 0.0 0 0.0 10 36
83 A 86 SER S - 0 0 -79.1 142.7 178.3 -179.8 25.1 115.6 0 0.0 132 -3.2 0 0.0 0 0.0 10 41
84 A 87 GLY G + 0 0 -120.4 29.2 -177.8 116.8 55.0 98.6 0 0.0 0 0.0 0 0.0 0 0.0 16 53
85 A 88 LYS K S S S+ 0 0 -62.0 -83.9 -179.4 1.0 83.5 4.6 0 0.0 0 0.0 0 0.0 0 0.0 10 43
86 A 89 ASN N S S S- 0 0 -114.1 62.7 -180.0 -172.6 80.9 122.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
87 A 90 VAL V - 0 0 -59.5 134.1 179.1 -163.8 9.8 108.5 0 0.0 0 0.0 0 0.0 0 0.0 13 45
88 A 91 ASN N - 0 0 -123.0 91.7 -179.3 -144.2 17.5 149.3 0 0.0 0 0.0 0 0.0 0 0.0 7 41
89 A 92 PRO P - 0 0 -57.7 148.0 179.7 -149.7 5.0 98.7 0 0.0 0 0.0 0 0.0 0 0.0 10 53
90 A 93 GLN Q E E BD - 126 0 -123.7 118.8 -179.5 -156.3 7.8 170.2 126 -2.5 126 -3.1 0 0.0 92 -0.6 11 47
91 A 94 ILE I E E BD - 125 0 -103.2 120.5 -178.3 -172.6 8.0 150.1 0 0.0 93 -0.7 0 0.0 0 0.0 8 39
92 A 95 VAL V E E BD > T - 124 0 -111.6 97.5 179.9 -156.0 11.9 150.0 124 -3.6 124 -2.4 90 -0.6 95 -0.6 9 36
93 A 96 GLU E T T 3 TS+ 0 0 -75.7 148.4 -179.3 1.8 72.8 116.7 91 -0.7 0 0.0 0 0.0 0 0.0 8 28
94 A 97 ASN N T T 3 TS- 0 0 41.6 57.6 178.0 -145.5 85.5 26.3 0 0.0 0 0.0 0 0.0 0 0.0 9 26
95 A 98 TYR Y t < T - 0 0 -50.1 124.4 -179.0 -162.3 12.0 106.9 122 -2.9 121 -3.0 92 -0.6 0 0.0 12 34
96 A 99 ARG R - 0 0 -94.6 -0.7 179.5 -94.3 46.8 62.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
97 A 100 GLY G S S S+ 0 0 105.1 5.2 179.3 122.3 80.6 58.3 0 0.0 0 0.0 0 0.0 0 0.0 9 28
98 A 101 GLY G S S S- 0 0 -82.8 -157.7 177.7 -71.3 71.8 84.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
99 A 102 ASP D - 0 0 -93.2 142.4 178.3 -132.5 46.9 140.3 0 0.0 101 -0.6 0 0.0 0 0.0 8 38
100 A 103 ILE I E E CE - 109 0 -103.5 123.0 178.1 -139.8 10.5 150.9 109 -3.7 109 -3.3 0 0.0 0 0.0 7 46
101 A 104 ALA A E E CE - 108 0 -73.8 130.4 178.3 -145.5 15.2 128.3 99 -0.6 103 -0.7 0 0.0 0 0.0 9 37
102 A 105 LEU L e - 0 0 -102.1 114.1 -179.7 -49.3 55.1 154.1 107 -2.5 0 0.0 0 0.0 0 0.0 14 36
103 A 106 GLY G S S S- 0 0 53.6 -172.0 179.0 -40.5 98.4 86.2 101 -0.7 105 -0.8 0 0.0 0 0.0 10 31
104 A 107 ILE I S S S+ 0 0 -89.5 109.8 -179.1 45.1 111.2 143.2 0 0.0 0 0.0 0 0.0 0 0.0 7 20
105 A 108 GLY G S S S- 0 0 148.8 -177.6 -178.8 -40.0 105.6 154.7 103 -0.8 107 -1.8 0 0.0 0 0.0 5 17
106 A 109 ASP D S S S+ 0 0 -83.3 77.5 -178.9 115.6 88.6 123.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
107 A 110 GLU E e + 0 0 -147.3 132.8 -178.1 177.9 37.2 170.7 105 -1.8 102 -2.5 0 0.0 0 0.0 9 29
108 A 111 VAL V E E CE - 101 0 -148.0 141.0 176.0 -147.0 31.9 172.5 0 0.0 110 -0.7 0 0.0 0 0.0 10 36
109 A 112 LEU L E E CE - 100 0 -95.7 115.4 -177.2 -170.2 41.2 154.0 100 -3.3 100 -3.7 0 0.0 0 0.0 10 49
110 A 113 SER S - 0 0 -124.7 133.4 179.8 -151.0 36.8 160.4 108 -0.7 0 0.0 0 0.0 0 0.0 9 38
111 A 114 PRO P 0 0 -63.6 -20.6 178.6 999.9 999.9 43.5 0 0.0 0 0.0 0 0.0 0 0.0 11 28
112!A 115 VAL V 0 0 -68.9 999.9 999.9 999.9 999.9 16.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
113!A 117 PHE F g > T 0 0 999.9 84.7 -179.7 999.9 999.9 999.9 0 0.0 116 -2.0 0 0.0 0 0.0 7 31
114 A 118 PRO P G G > T + 0 0 -52.2 -18.0 -178.3 83.1 999.9 49.5 0 0.0 117 -1.4 0 0.0 0 0.0 7 24
115 A 119 VAL V G G > TS+ 0 0 -58.1 -34.4 -179.0 70.7 76.2 33.9 0 0.0 118 -2.5 0 0.0 0 0.0 7 37
116 A 120 LEU L G G X TS+ 0 0 -53.5 -34.4 -178.3 60.4 88.5 35.3 113 -2.0 119 -2.2 0 0.0 0 0.0 10 43
117 A 121 HIS H G G < TS+ 0 0 -73.8 -3.1 178.4 57.3 100.8 54.5 114 -1.4 0 0.0 0 0.0 0 0.0 8 27
118 A 122 GLN Q G G < TS+ 0 0 -101.4 0.0 -178.4 55.8 102.9 69.5 115 -2.5 0 0.0 0 0.0 0 0.0 6 33
119 A 123 LEU L g X T + 0 0 -122.8 26.1 -179.5 150.0 68.6 84.9 116 -2.2 122 -1.7 0 0.0 0 0.0 9 40
120 A 124 LEU L T T 3 TS+ 0 0 -59.2 142.2 178.2 22.1 70.0 107.3 0 0.0 0 0.0 0 0.0 0 0.0 10 29
121 A 125 GLY G T T 3 TS+ 0 0 91.0 -24.5 -178.2 114.9 98.9 85.6 95 -3.0 0 0.0 0 0.0 0 0.0 8 24
122 A 126 GLN Q S t < TS- 0 0 -81.7 166.8 178.5 -107.2 71.2 103.4 119 -1.7 95 -2.9 0 0.0 124 -0.7 11 35
123 A 127 THR T e - 0 0 -92.6 115.4 -180.0 -157.8 37.0 147.3 0 0.0 373 -1.8 0 0.0 0 0.0 12 40
124 A 128 LEU L E E BDF - 92 372 -99.4 142.0 176.7 -159.1 9.3 140.8 92 -2.4 92 -3.6 122 -0.7 126 -0.5 14 56
125 A 129 ILE I E E BDF + 91 371 -118.2 115.4 -178.3 164.8 26.0 167.2 371 -3.0 371 -1.9 0 0.0 0 0.0 12 66
126 A 130 THR T E E BD - 90 0 -119.4 -176.4 178.6 -101.9 34.1 123.9 90 -3.1 90 -2.5 124 -0.5 0 0.0 14 62
127 A 131 THR T - 0 0 -97.8 -179.3 177.7 -112.0 31.8 112.2 0 0.0 0 0.0 0 0.0 0 0.0 18 55
128 A 132 ASP D - 0 0 -90.5 -2.3 179.8 -105.3 60.0 62.7 0 0.0 0 0.0 0 0.0 0 0.0 13 43
129 A 133 GLY G S S S+ 0 0 96.0 -6.3 -179.0 91.7 107.3 72.0 0 0.0 0 0.0 0 0.0 0 0.0 11 40
130 A 134 LYS K S S S+ 0 0 -98.3 -1.4 -178.7 3.6 93.6 65.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37
131 A 135 THR T S S S- 0 0 -160.4 -171.9 175.6 -70.8 82.8 153.9 0 0.0 0 0.0 0 0.0 0 0.0 14 47
132 A 136 LEU L - 0 0 -80.3 177.9 177.4 -139.2 33.1 102.9 83 -3.2 0 0.0 0 0.0 0 0.0 15 56
133 A 137 LEU L - 0 0 -108.0 -48.4 -177.7 -134.2 23.1 41.0 0 0.0 0 0.0 0 0.0 0 0.0 14 65
134 A 138 GLY G h > T + 0 0 103.9 4.0 179.7 134.1 62.6 63.3 0 0.0 138 -3.0 0 0.0 0 0.0 12 74
135 A 139 ALA A H H > T + 0 0 -50.4 -37.8 177.4 92.9 55.4 27.3 0 0.0 139 -2.5 0 0.0 137 -0.8 15 76
136 A 140 ASP D H H 4 TS- 0 0 -98.8 107.9 1.3 -18.3 115.3 153.6 0 0.0 0 0.0 0 0.0 0 0.0 11 77
137 A 141 ASP D H H > TS+ 0 0 -121.2 29.6 179.2 74.2 128.1 146.5 135 -0.8 141 -1.6 0 0.0 0 0.0 14 74
138 A 142 LYS K H H X TS+ 0 0 -72.8 -15.9 177.8 60.0 95.4 48.4 134 -3.0 142 -2.0 0 0.0 0 0.0 14 81
139 A 143 ALA A H H X TS+ 0 0 -74.9 -38.4 178.6 48.8 106.4 25.7 135 -2.5 143 -3.1 0 0.0 0 0.0 13 75
140 A 144 GLY G H H > TS+ 0 0 -64.6 -41.1 178.5 49.4 110.5 28.5 0 0.0 144 -2.5 0 0.0 0 0.0 13 77
141 A 145 VAL V H H < TS+ 0 0 -63.1 -49.5 179.9 45.9 114.1 16.3 137 -1.6 0 0.0 0 0.0 0 0.0 14 72
142 A 146 ALA A H H < TS+ 0 0 -59.0 -45.5 179.5 50.8 112.7 22.8 138 -2.0 0 0.0 0 0.0 0 0.0 12 68
143 A 147 GLU E H H < T 0 0 -61.3 -39.9 179.5 999.9 999.9 31.2 139 -3.1 146 -2.4 0 0.0 0 0.0 12 70
144!A 148 ILE I h < T 0 0 -68.2 999.9 999.9 999.9 999.9 18.6 140 -2.5 147 -2.1 0 0.0 0 0.0 14 70
145!A 150 THR T h > T 0 0 999.9 -42.4 178.3 999.9 999.9 999.9 0 0.0 149 -2.5 0 0.0 0 0.0 11 55
146 A 151 ALA A H H > T + 0 0 -61.1 -35.6 178.9 51.9 999.9 31.0 143 -2.4 150 -2.4 0 0.0 0 0.0 11 66
147 A 152 LEU L H H > TS+ 0 0 -69.5 -38.4 -179.9 51.3 106.8 26.6 144 -2.1 151 -2.3 0 0.0 0 0.0 9 61
148 A 153 ALA A H H > TS+ 0 0 -62.6 -42.0 -179.0 47.5 112.7 18.2 0 0.0 152 -2.7 0 0.0 0 0.0 7 50
149 A 154 VAL V H H < TS+ 0 0 -64.7 -42.2 180.0 48.5 111.9 25.5 145 -2.5 0 0.0 0 0.0 0 0.0 9 39
150 A 155 LEU L H H < TS+ 0 0 -66.5 -36.9 -179.6 44.2 115.9 29.5 146 -2.4 0 0.0 0 0.0 0 0.0 12 46
151 A 156 LYS K H H < TS+ 0 0 -77.7 -36.2 -179.8 43.3 117.4 29.5 147 -2.3 0 0.0 0 0.0 0 0.0 7 40
152 A 157 GLY G S h < TS+ 0 0 -97.0 20.3 -179.8 59.6 108.2 78.8 148 -2.7 0 0.0 0 0.0 0 0.0 6 26
153 A 158 ASN N S S S- 0 0 -144.4 160.1 179.8 -98.4 89.1 166.4 0 0.0 155 -2.4 0 0.0 0 0.0 6 25
154 A 159 PRO P S S S+ 0 0 -76.8 69.6 179.7 129.9 73.2 113.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
155 A 160 ILE I - 0 0 -125.1 114.2 179.9 -132.3 55.0 166.3 153 -2.4 0 0.0 0 0.0 0 0.0 7 35
156 A 161 PRO P + 0 0 -68.0 143.1 180.0 156.4 37.9 112.6 0 0.0 0 0.0 0 0.0 0 0.0 11 38
157 A 162 HIS H - 0 0 -164.3 152.6 178.3 -132.0 34.8 169.6 0 0.0 62 -3.6 0 0.0 63 -1.0 14 48
158 A 163 GLY G - 0 0 -88.1 -158.3 178.8 -42.4 65.8 90.9 386 -0.5 0 0.0 0 0.0 0 0.0 16 48
159 A 164 ASP D e - 0 0 -70.3 139.9 178.9 -156.9 57.0 117.3 0 0.0 70 -1.8 0 0.0 0 0.0 13 52
160 A 165 ILE I E E AAc - 59 70 -123.0 120.1 178.8 -162.0 3.5 167.5 59 -2.5 59 -2.4 0 0.0 0 0.0 15 61
161 A 166 LYS K E E AAc - 58 71 -100.6 136.4 177.9 -171.6 8.7 145.7 70 -3.2 72 -2.2 0 0.0 0 0.0 14 63
162 A 167 VAL V E E A*c - 0 72 -128.8 147.3 180.0 -177.2 4.3 165.9 57 -2.3 0 0.0 0 0.0 0 0.0 10 73
163 A 168 ALA A E E A*c - 0 73 -142.9 148.6 179.6 -160.9 13.6 172.2 72 -2.0 74 -2.0 0 0.0 0 0.0 12 77
164 A 169 PHE F E E AAc - 56 74 -134.8 113.1 -176.6 -157.6 20.9 168.0 56 -1.9 56 -2.4 0 0.0 0 0.0 12 73
165 A 170 THR T E E A c - 0 75 -100.1 152.4 -179.0 -140.2 8.9 131.8 74 -2.6 76 -4.5 0 0.0 0 0.0 14 75
166 A 171 PRO P S S S+ 0 0 -74.0 -66.5 -175.3 23.9 79.3 17.5 0 0.0 77 -0.6 0 0.0 0 0.0 14 69
167 A 172 ASP D g >>T + 0 0 -110.2 51.4 -178.6 137.7 63.2 103.2 0 0.0 172 -2.3 0 0.0 170 -0.9 15 59
168 A 173 GLU E G G >5TS+ 0 0 -56.6 -44.5 -178.6 56.0 74.8 21.8 0 0.0 171 -1.8 0 0.0 0 0.0 13 65
169 A 174 GLU E G G 35TS+ 0 0 -60.0 -26.8 -178.4 44.1 110.2 39.8 0 0.0 0 0.0 0 0.0 0 0.0 11 52
170 A 175 VAL V G G <5TS- 0 0 -108.6 26.7 177.7 -100.9 122.3 88.2 167 -0.9 0 0.0 0 0.0 0 0.0 10 42
171 A 176 GLY G T g <5TS+ 0 0 73.3 6.2 -178.8 102.8 98.3 61.0 168 -1.8 0 0.0 0 0.0 0 0.0 7 46
172 A 177 LYS K t > > TS+ 0 0 -112.8 -0.6 -179.8 101.9 95.0 66.0 0 0.0 177 -1.3 0 0.0 0 0.0 12 54
175 A 180 LYS K T T 4 < TS+ 0 0 -47.2 -59.7 -178.7 23.6 96.8 21.8 172 -0.8 0 0.0 0 0.0 0 0.0 5 43
176 A 181 HIS H T T < 3 TS+ 0 0 -99.1 23.8 -179.7 141.6 86.3 86.0 172 -0.6 178 -0.6 0 0.0 0 0.0 8 40
177 A 182 PHE F t < T - 0 0 -73.5 115.7 -179.2 -148.1 44.2 123.9 174 -1.3 179 -1.7 0 0.0 0 0.0 7 53
178 A 183 ASP D h > T + 0 0 -80.7 76.1 -178.0 175.3 21.7 123.1 176 -0.6 182 -2.4 0 0.0 0 0.0 6 42
179 A 184 VAL V H H > TS+ 0 0 -55.8 -29.0 -180.0 58.9 77.2 32.0 177 -1.7 183 -1.8 0 0.0 0 0.0 10 44
180 A 185 GLU E H H 4 TS+ 0 0 -63.9 -48.7 179.7 41.4 109.3 18.4 0 0.0 0 0.0 0 0.0 0 0.0 5 32
181 A 186 ALA A H H 4 TS+ 0 0 -66.2 -38.2 -179.5 62.7 107.6 27.5 0 0.0 0 0.0 0 0.0 0 0.0 5 35
182 A 187 PHE F H H < TS- 0 0 -53.9 -44.6 178.5 -163.0 85.6 25.2 178 -2.4 0 0.0 0 0.0 0 0.0 8 48
183 A 188 GLY G h < T + 0 0 63.4 39.8 179.3 147.5 29.6 32.6 179 -1.8 0 0.0 0 0.0 0 0.0 8 40
184 A 189 ALA A - 0 0 -109.1 133.6 178.7 -148.3 47.2 153.6 0 0.0 0 0.0 0 0.0 0 0.0 13 45
185 A 190 GLN Q S S S- 0 0 -62.0 -42.1 176.0 -20.2 86.1 24.0 69 -2.5 0 0.0 0 0.0 0 0.0 9 49
186 A 191 TRP W E E Ab S- 70 0 -156.3 166.0 -179.3 -165.8 71.3 159.2 69 -0.7 71 -1.5 0 0.0 0 0.0 11 60
187 A 192 ALA A E E Ab - 71 0 -147.1 179.8 177.7 -134.3 13.5 149.4 353 -2.0 0 0.0 0 0.0 0 0.0 13 74
188 A 193 TYR Y E E Ab - 72 0 -140.2 142.9 172.7 -134.5 16.6 171.7 71 -1.6 73 -2.4 0 0.0 0 0.0 12 79
189 A 194 THR T E E Abc - 73 356 -94.2 140.6 178.7 -147.1 12.0 144.5 355 -2.5 357 -3.5 0 0.0 191 -0.9 14 73
190 A 195 VAL V e + 0 0 -105.3 71.0 -176.2 108.7 68.5 130.0 73 -2.6 0 0.0 0 0.0 0 0.0 15 73
191 A 196 ASP D + 0 0 -141.2 36.6 179.9 110.9 45.8 94.8 189 -0.9 0 0.0 0 0.0 0 0.0 13 72
192 A 197 GLY G - 0 0 -102.4 -171.8 -179.1 -107.7 60.2 107.5 357 -1.8 0 0.0 0 0.0 0 0.0 14 67
193 A 198 GLY G + 0 0 -91.9 -129.6 -179.2 0.9 66.3 62.2 0 0.0 360 -3.3 0 0.0 359 -2.2 10 61
194 A 199 GLY G S t > TS- 0 0 -60.3 164.6 -179.3 -65.7 90.2 87.7 0 0.0 197 -2.2 0 0.0 0 0.0 11 53
195 A 200 VAL V T T 3 TS+ 0 0 -51.4 128.1 179.3 27.0 122.4 102.7 0 0.0 0 0.0 0 0.0 0 0.0 11 55
196 A 201 GLY G T T 3 TS+ 0 0 107.8 -28.4 -179.5 138.4 83.1 88.5 0 0.0 336 -2.9 0 0.0 0 0.0 9 50
197 A 202 GLU E B e d < T + 336 0 -57.9 131.6 178.1 167.0 18.9 105.9 194 -2.2 358 -1.2 0 0.0 0 0.0 13 46
198 A 203 LEU L E E DG - 357 0 -145.0 121.7 -179.0 -168.7 13.5 163.1 336 -2.0 0 0.0 0 0.0 0 0.0 12 57
199 A 204 GLU E E E DG + 356 0 -125.6 135.6 179.9 148.0 29.0 165.6 356 -2.3 356 -3.2 0 0.0 0 0.0 11 54
200 A 205 PHE F + 0 0 -143.9 12.0 177.5 76.1 59.4 80.9 0 0.0 0 0.0 0 0.0 0 0.0 11 61
201 A 206 GLU E + 0 0 -131.4 127.4 178.2 162.6 52.7 173.4 0 0.0 339 -3.7 0 0.0 0 0.0 10 51
202 A 207 ASN N B B e - 339 0 -138.6 163.7 178.8 -80.0 39.9 156.3 0 0.0 0 0.0 0 0.0 0 0.0 15 53
203 A 208 PHE F - 0 0 -59.0 154.8 172.1 -126.7 30.7 95.1 341 -1.4 0 0.0 339 -1.1 0 0.0 15 53
204 A 209 ASN N E E EH - 273 0 -96.1 134.8 -177.5 -155.0 43.4 153.6 273 -1.0 273 -1.6 0 0.0 0 0.0 14 50
205 A 210 ALA A E E EHI + 272 309 -128.4 144.4 179.7 161.2 25.9 160.5 309 -4.0 308 -3.4 0 0.0 309 -1.0 14 52
206 A 211 ALA A E E EHI - 271 307 -150.5 153.1 177.4 -138.4 26.0 174.4 271 -1.7 271 -2.3 0 0.0 0 0.0 12 46
207 A 212 SER S E E EHI - 270 306 -111.4 145.7 178.4 -159.8 12.8 151.7 306 -2.5 306 -2.4 0 0.0 0 0.0 13 39
208 A 213 VAL V E E EHI - 269 305 -127.3 109.2 179.1 -168.5 8.4 163.6 269 -2.8 269 -2.9 0 0.0 0 0.0 12 44
209 A 214 ASN N E E E I - 0 304 -102.4 137.4 -179.0 -162.1 2.8 147.0 304 -2.0 304 -2.8 0 0.0 0 0.0 11 40
210 A 215 ILE I E E E I - 0 303 -122.8 128.1 178.8 -165.7 5.6 168.7 0 0.0 212 -0.5 0 0.0 0 0.0 11 50
211 A 216 LYS K E E E I - 0 302 -113.8 120.7 -178.9 -166.7 10.3 165.0 302 -2.8 302 -3.0 0 0.0 213 -0.5 10 43
212 A 217 ILE I E E EJI - 266 301 -115.1 126.1 179.0 -166.6 5.7 160.4 266 -2.9 266 -2.2 210 -0.5 214 -0.6 14 48
213 A 218 VAL V E E EJ + 265 0 -112.3 117.4 179.7 165.1 18.3 162.2 300 -2.7 0 0.0 211 -0.5 0 0.0 12 41
214 A 219 GLY G e - 0 0 -108.5 -152.0 -179.7 -101.8 36.2 97.9 264 -2.6 0 0.0 212 -0.6 0 0.0 13 41
215 A 220 ASN N - 0 0 -145.9 107.9 -179.9 -161.7 28.2 150.5 226 -3.0 0 0.0 0 0.0 0 0.0 13 35
216 A 221 ASN N + 0 0 -90.8 154.7 -179.0 151.7 20.1 124.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
217 A 222 VAL V - 0 0 -167.1 161.1 179.3 -63.8 60.2 159.3 0 0.0 0 0.0 0 0.0 0 0.0 7 21
218 A 223 HIS H g > T - 0 0 -56.8 135.4 -179.3 -130.7 52.1 112.3 0 0.0 221 -1.0 0 0.0 0 0.0 6 16
219 A 224 PRO P G G > TS+ 0 0 -58.8 -38.0 -179.6 67.7 98.4 35.9 0 0.0 222 -1.2 0 0.0 0 0.0 5 17
220 A 225 GLY G G G 3 TS+ 0 0 -57.2 -25.1 -179.9 30.2 114.4 41.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
221 A 226 THR T G G < TS+ 0 0 -132.4 57.3 -179.2 112.0 83.7 113.5 218 -1.0 0 0.0 0 0.0 0 0.0 6 12
222 A 227 ALA A g X T + 0 0 -106.8 -5.2 -179.4 141.4 34.0 60.4 219 -1.2 225 -3.1 0 0.0 0 0.0 8 16
223 A 228 LYS K T T 3 TS- 0 0 -42.2 123.6 179.3 -14.2 86.8 95.4 0 0.0 0 0.0 0 0.0 0 0.0 4 14
224 A 229 GLY G T T 3 T 0 0 53.4 15.2 -180.0 999.9 999.9 52.1 0 0.0 0 0.0 0 0.0 0 0.0 3 17
225!A 230 VAL V t < T 0 0 -121.6 999.9 999.9 999.9 999.9 46.2 222 -3.1 0 0.0 0 0.0 0 0.0 6 23
226!A 232 VAL V 0 0 999.9 100.0 -178.4 999.9 999.9 999.9 0 0.0 215 -3.0 0 0.0 228 -0.8 9 39
227 A 233 ASN N h > T - 0 0 -76.6 109.8 -178.4 -166.4 999.9 126.3 0 0.0 231 -0.9 0 0.0 0 0.0 11 42
228 A 234 ALA A H H > TS+ 0 0 -63.2 -31.6 -179.4 55.3 86.5 38.6 263 -2.1 232 -2.0 226 -0.8 0 0.0 16 42
229 A 235 LEU L H H > TS+ 0 0 -72.3 -31.3 179.7 58.6 101.7 34.0 0 0.0 233 -3.0 0 0.0 0 0.0 11 34
230 A 236 SER S H H > TS+ 0 0 -68.2 -28.7 178.1 47.1 107.3 35.1 0 0.0 234 -1.4 0 0.0 0 0.0 7 36
231 A 237 LEU L H H X TS+ 0 0 -77.5 -40.2 179.9 53.1 109.8 23.8 227 -0.9 235 -2.2 0 0.0 0 0.0 10 44
232 A 238 ALA A H H X TS+ 0 0 -57.2 -51.9 -179.9 46.5 110.9 16.3 228 -2.0 236 -2.5 0 0.0 0 0.0 11 48
233 A 239 ALA A H H X TS+ 0 0 -59.0 -37.6 -179.2 53.1 110.5 28.1 229 -3.0 237 -1.7 0 0.0 0 0.0 8 39
234 A 240 ARG R H H X TS+ 0 0 -67.3 -32.6 178.4 48.8 109.8 33.6 230 -1.4 238 -0.7 0 0.0 0 0.0 9 34
235 A 241 ILE I H H < > TS+ 0 0 -69.7 -48.9 -179.2 45.3 113.3 20.4 231 -2.2 238 -0.9 0 0.0 0 0.0 11 45
236 A 242 HIS H H H < > TS+ 0 0 -66.6 -25.8 179.3 63.7 104.8 38.6 232 -2.5 239 -0.9 0 0.0 0 0.0 7 46
237 A 243 ALA A H H < 3 TS+ 0 0 -66.2 -30.2 -179.5 51.2 102.2 35.5 233 -1.7 0 0.0 0 0.0 0 0.0 7 27
238 A 244 GLU E T h < < TS+ 0 0 -85.0 -8.3 -179.9 98.4 87.7 58.2 235 -0.9 0 0.0 234 -0.7 0 0.0 7 30
239 A 245 VAL V S t < TS- 0 0 -87.8 126.9 -179.1 -101.7 89.0 137.2 236 -0.9 0 0.0 0 0.0 0 0.0 8 40
240 A 246 PRO P t > T - 0 0 -49.2 102.6 178.8 -164.3 26.6 103.3 0 0.0 243 -1.1 0 0.0 0 0.0 8 33
241 A 247 ALA A T T 3 TS+ 0 0 -65.2 -12.0 -179.5 56.0 92.7 51.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
242 A 248 ASP D T T 3 TS+ 0 0 -90.5 -22.8 178.1 58.8 101.0 46.6 0 0.0 244 -0.5 0 0.0 0 0.0 6 22
243 A 249 GLU E S t < TS+ 0 0 -103.1 58.6 -179.7 107.9 88.4 120.7 240 -1.1 255 -2.2 0 0.0 0 0.0 11 34
244 A 250 ALA A S g > TS- 0 0 -132.0 158.4 180.0 -101.2 84.7 155.7 242 -0.5 247 -2.7 0 0.0 0 0.0 12 30
245 A 251 PRO P G G > TS+ 0 0 -48.4 -39.1 -178.8 58.7 119.7 33.7 0 0.0 248 -0.9 0 0.0 0 0.0 9 30
246 A 252 GLU E G G 3 TS+ 0 0 -68.1 -12.6 -176.5 34.3 116.6 53.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
247 A 253 THR T G G < TS+ 0 0 -133.0 20.8 179.0 81.8 101.6 80.6 244 -2.7 0 0.0 0 0.0 0 0.0 8 20
248 A 254 THR T g < T + 0 0 -126.3 160.5 -176.7 169.2 43.7 152.5 245 -0.9 0 0.0 0 0.0 0 0.0 11 25
249 A 255 GLU E t > T - 0 0 -156.7 172.2 177.5 -3.8 52.1 156.6 0 0.0 252 -2.4 0 0.0 0 0.0 6 25
250 A 256 GLY G T T 3 TS- 0 0 40.4 -106.1 -178.2 -0.6 128.7 94.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
251 A 257 TYR Y T T 3 TS+ 0 0 -98.8 8.1 -179.1 112.5 99.0 72.8 0 0.0 253 -0.5 0 0.0 0 0.0 7 36
252 A 258 GLU E t < T - 0 0 -90.0 125.0 179.3 -144.6 54.7 135.9 249 -2.4 0 0.0 0 0.0 0 0.0 9 38
253 A 259 GLY G - 0 0 -69.1 -173.8 179.8 -171.5 21.3 86.7 251 -0.5 0 0.0 0 0.0 0 0.0 12 48
254 A 260 PHE F E E EK - 272 0 -172.1 168.8 177.0 -123.7 28.1 176.1 272 -2.5 272 -2.1 0 0.0 0 0.0 11 48
255 A 261 TYR Y E E EK - 271 0 -118.6 143.2 178.7 -172.2 31.9 160.8 243 -2.2 0 0.0 0 0.0 0 0.0 14 54
256 A 262 HIS H E E EK - 270 0 -144.5 132.7 178.9 -142.3 22.9 170.5 270 -2.5 270 -2.7 0 0.0 258 -0.9 9 45
257 A 263 LEU L E E EK + 269 0 -92.9 104.9 -179.1 178.6 21.2 144.2 0 0.0 0 0.0 0 0.0 0 0.0 7 42
258 A 264 ALA A e 0 0 -74.2 -46.2 179.6 999.9 999.9 22.1 268 -2.3 0 0.0 256 -0.9 0 0.0 6 27
259!A 265 SER S 0 0 -161.1 999.9 999.9 999.9 999.9 174.0 268 -1.3 0 0.0 0 0.0 0 0.0 5 24
260!A 267 LYS K 0 0 999.9 142.0 178.5 999.9 999.9 999.9 0 0.0 267 -2.6 0 0.0 0 0.0 5 27
261 A 268 GLY G B B F - 266 0 -178.5 171.8 178.3 -143.2 999.9 173.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
262 A 269 THR T - 0 0 -132.9 -178.5 179.1 -82.5 55.4 134.8 265 -3.8 0 0.0 0 0.0 0 0.0 9 25
263 A 270 VAL V S S S+ 0 0 -59.5 -36.0 -179.1 46.7 130.5 28.5 0 0.0 228 -2.1 0 0.0 0 0.0 12 33
264 A 271 ASP D S e S+ 0 0 -77.5 -32.3 -179.2 5.2 125.5 35.4 0 0.0 214 -2.6 0 0.0 0 0.0 12 32
265 A 272 ARG R E E EJ + 213 0 -153.8 151.0 177.4 177.8 56.8 177.7 0 0.0 262 -3.8 0 0.0 0 0.0 13 32
266 A 273 ALA A E E EJF 212 261 -148.7 157.4 179.4 999.9 999.9 169.0 212 -2.2 212 -2.9 0 0.0 0 0.0 13 39
267!A 274 GLU E 0 0 -142.6 999.9 999.9 999.9 999.9 179.6 260 -2.6 0 0.0 0 0.0 0 0.0 10 39
268!A 276 HIS H e 0 0 999.9 104.5 -179.3 999.9 999.9 999.9 0 0.0 258 -2.3 0 0.0 259 -1.3 10 38
269 A 277 TYR Y E E EHK - 208 257 -105.3 151.4 173.1 -154.8 999.9 139.2 208 -2.9 208 -2.8 0 0.0 0 0.0 12 49
270 A 278 ILE I E E EHK - 207 256 -126.6 151.0 -179.0 -157.6 2.2 164.2 256 -2.7 256 -2.5 0 0.0 0 0.0 12 49
271 A 279 ILE I E E EHK - 206 255 -128.6 122.2 179.3 -175.3 9.5 174.4 206 -2.3 206 -1.7 0 0.0 0 0.0 15 57
272 A 280 ARG R E E EHK + 205 254 -121.5 133.9 177.4 154.8 12.8 165.0 254 -2.1 254 -2.5 0 0.0 0 0.0 13 57
273 A 281 ASP D E E EH - 204 0 -163.6 125.5 -179.3 -153.2 36.8 145.6 204 -1.6 204 -1.0 0 0.0 0 0.0 13 47
274 A 282 PHE F S S S+ 0 0 -63.3 -30.5 -178.8 73.3 85.7 36.9 0 0.0 0 0.0 0 0.0 0 0.0 14 46
275 A 283 ASP D S h > TS- 0 0 -91.1 127.1 180.0 -149.3 72.7 138.4 0 0.0 279 -0.9 0 0.0 0 0.0 8 36
276 A 284 ARG R H H > TS+ 0 0 -62.6 -35.0 178.7 49.4 98.4 30.4 0 0.0 280 -1.5 0 0.0 0 0.0 8 31
277 A 285 LYS K H H > > TS+ 0 0 -67.3 -54.6 -179.4 45.0 111.8 12.7 0 0.0 281 -2.7 0 0.0 280 -0.5 6 26
278 A 286 GLN Q H H > 3 TS+ 0 0 -65.0 -10.6 179.4 60.0 109.2 52.0 0 0.0 282 -1.1 0 0.0 0 0.0 9 27
279 A 287 PHE F H H X 3 TS+ 0 0 -80.9 -41.6 178.6 43.4 108.1 30.2 275 -0.9 283 -1.2 0 0.0 0 0.0 15 39
280 A 288 GLU E H H X X TS+ 0 0 -66.7 -46.5 179.2 55.5 110.4 20.9 276 -1.5 284 -2.5 277 -0.5 283 -0.7 8 32
281 A 289 ALA A H H X 3 TS+ 0 0 -52.9 -40.1 -178.0 55.0 105.1 27.2 277 -2.7 285 -2.8 0 0.0 0 0.0 8 30
282 A 290 ARG R H H < 3 TS+ 0 0 -67.3 -32.0 177.4 48.3 106.3 35.4 278 -1.1 0 0.0 0 0.0 0 0.0 9 45
283 A 291 LYS K H H < < TS+ 0 0 -68.4 -55.0 179.8 50.8 111.9 11.6 279 -1.2 0 0.0 280 -0.7 0 0.0 8 45
284 A 292 ARG R H H < T 0 0 -44.4 -54.1 179.9 999.9 999.9 26.9 280 -2.5 0 0.0 0 0.0 0 0.0 6 36
285!A 293 LYS K h < T 0 0 -48.5 999.9 999.9 999.9 999.9 26.9 281 -2.8 287 -3.0 0 0.0 0 0.0 6 39
286!A 296 GLU E h > T 0 0 999.9 -49.1 179.5 999.9 999.9 999.9 0 0.0 290 -2.2 0 0.0 0 0.0 6 29
287 A 297 ILE I H H > T + 0 0 -56.0 -43.3 -179.3 53.5 999.9 24.5 285 -3.0 291 -1.9 0 0.0 0 0.0 9 38
288 A 298 ALA A H H > TS+ 0 0 -57.6 -53.9 179.8 51.5 105.7 18.2 0 0.0 292 -2.0 0 0.0 0 0.0 9 44
289 A 299 LYS K H H 4 > TS+ 0 0 -48.4 -56.2 180.0 54.6 106.9 19.7 0 0.0 292 -0.6 0 0.0 0 0.0 7 31
290 A 300 LYS K H H < > TS+ 0 0 -42.7 -61.7 179.8 41.8 111.9 23.2 286 -2.2 293 -1.9 0 0.0 0 0.0 7 28
291 A 301 VAL V H H < 3 TS+ 0 0 -60.4 -25.9 -180.0 64.4 106.9 39.6 287 -1.9 0 0.0 0 0.0 0 0.0 9 37
292 A 302 GLY G T h < X TS+ 0 0 -83.0 13.8 178.9 139.7 72.7 72.8 288 -2.0 295 -0.6 289 -0.6 0 0.0 9 37
293 A 303 LYS K T T < TS- 0 0 -16.5 -98.1 -179.6 -17.8 75.2 42.7 290 -1.9 0 0.0 0 0.0 0 0.0 6 27
294 A 304 GLY G T T 3 TS+ 0 0 -130.0 96.4 -178.8 166.3 75.9 148.1 0 0.0 0 0.0 0 0.0 0 0.0 4 24
295 A 305 LEU L t < T - 0 0 -114.6 133.4 179.3 -99.7 50.1 157.5 292 -0.6 0 0.0 0 0.0 0 0.0 8 29
296 A 306 HIS H t > T - 0 0 -53.0 103.1 -179.7 -104.6 53.2 109.9 0 0.0 298 -6.5 0 0.0 299 -1.6 5 23
297 A 307 PRO P T T 3 TS+ 0 0 -23.2 27.5 177.7 65.5 120.4 79.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
298 A 308 ASP D T T 3 TS+ 0 0 -131.3 -6.1 179.4 69.5 93.9 77.2 296 -6.5 300 -0.5 0 0.0 0 0.0 8 24
299 A 309 CYS C t < T + 0 0 -120.9 109.7 -178.7 149.3 69.0 164.2 296 -1.6 0 0.0 0 0.0 0 0.0 11 38
300 A 310 TYR Y e - 0 0 -138.0 171.5 179.1 -131.4 41.1 150.4 298 -0.5 213 -2.7 0 0.0 0 0.0 10 39
301 A 311 ILE I E E EI - 212 0 -128.1 111.6 179.4 -167.1 24.2 164.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
302 A 312 GLU E E E EI - 211 0 -107.2 136.9 179.6 -161.5 3.4 149.3 211 -3.0 211 -2.8 0 0.0 0 0.0 8 37
303 A 313 LEU L E E EI - 210 0 -112.7 137.1 177.3 -169.3 3.4 156.1 0 0.0 0 0.0 0 0.0 0 0.0 9 39
304 A 314 VAL V E E EI - 209 0 -131.3 100.1 -178.2 -165.5 7.6 150.8 209 -2.8 209 -2.0 0 0.0 306 -0.6 8 29
305 A 315 ILE I E E EI - 208 0 -92.7 119.2 -178.8 -176.6 6.5 141.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
306 A 316 GLU E E E EI - 207 0 -116.6 119.2 177.3 -134.7 22.2 163.0 207 -2.4 207 -2.5 304 -0.6 0 0.0 7 25
307 A 317 ASP D E E EI - 206 0 -72.1 129.4 179.3 -179.7 22.3 124.6 0 0.0 0 0.0 0 0.0 0 0.0 7 37
308 A 318 SER S E E E* - 0 0 -95.7 -50.6 178.9 -27.8 57.0 29.2 205 -3.4 0 0.0 0 0.0 0 0.0 8 43
309 A 319 TYR Y E E EI - 205 0 -162.5 164.4 -179.3 -126.1 53.9 173.0 205 -1.0 205 -4.0 0 0.0 0 0.0 11 45
310 A 320 TYR Y 0 0 -116.9 166.4 179.2 999.9 999.9 135.4 0 0.0 0 0.0 0 0.0 0 0.0 9 48
311!A 321 ASN N 0 0 -76.7 999.9 999.9 999.9 999.9 130.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
312!A 323 ARG R h > T 0 0 999.9 -61.4 179.9 999.9 999.9 999.9 0 0.0 316 -2.8 0 0.0 0 0.0 8 49
313 A 324 GLU E H H > T + 0 0 -51.9 -51.6 -178.4 47.6 999.9 25.5 0 0.0 317 -1.4 0 0.0 0 0.0 6 35
314 A 325 LYS K H H 4 TS+ 0 0 -62.6 -35.3 -179.9 39.8 119.2 34.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
315 A 326 VAL V H H 4 > TS+ 0 0 -79.3 -63.0 -178.4 47.4 114.2 13.5 0 0.0 318 -2.7 0 0.0 0 0.0 14 44
316 A 327 VAL V H H < 3 TS+ 0 0 -52.2 -25.1 179.4 81.1 93.4 41.5 312 -2.8 0 0.0 0 0.0 0 0.0 9 34
317 A 328 GLU E T h < 3 TS+ 0 0 -53.2 -26.0 178.9 43.4 98.0 42.1 313 -1.4 0 0.0 0 0.0 0 0.0 6 25
318 A 329 HIS H S t X TS- 0 0 -126.4 94.1 -179.3 -165.3 75.2 148.4 315 -2.7 321 -1.4 0 0.0 0 0.0 7 29
319 A 330 PRO P T h > 3 TS+ 0 0 -48.2 -40.4 -179.9 68.0 79.3 40.0 0 0.0 323 -2.4 0 0.0 0 0.0 8 28
320 A 331 HIS H H H > 3 TS+ 0 0 -54.6 -33.0 -177.6 68.1 89.0 32.9 0 0.0 324 -3.4 0 0.0 0 0.0 6 40
321 A 332 ILE I H H > < TS+ 0 0 -54.1 -54.3 179.6 23.8 114.6 21.6 318 -1.4 325 -1.3 0 0.0 0 0.0 10 54
322 A 333 LEU L H H > TS+ 0 0 -82.5 -28.1 -179.5 60.3 120.8 39.1 0 0.0 326 -2.7 0 0.0 0 0.0 10 52
323 A 334 ASP D H H X TS+ 0 0 -64.7 -48.4 178.8 43.6 108.4 17.0 319 -2.4 327 -2.9 0 0.0 0 0.0 8 42
324 A 335 ILE I H H X TS+ 0 0 -61.8 -45.0 -178.3 50.0 114.2 20.5 320 -3.4 328 -2.8 0 0.0 0 0.0 11 52
325 A 336 ALA A H H < TS+ 0 0 -62.3 -40.7 179.6 44.7 114.4 24.9 321 -1.3 0 0.0 0 0.0 0 0.0 9 58
326 A 337 GLN Q H H < TS+ 0 0 -68.6 -47.2 178.6 48.3 113.3 20.2 322 -2.7 0 0.0 0 0.0 0 0.0 8 44
327 A 338 GLN Q H H < T 0 0 -56.9 -41.5 -180.0 999.9 999.9 24.1 323 -2.9 330 -3.4 0 0.0 0 0.0 7 36
328!A 339 ALA A h < T 0 0 -59.6 999.9 999.9 999.9 999.9 28.3 324 -2.8 331 -1.3 0 0.0 0 0.0 11 44
329!A 341 ARG R t > T 0 0 999.9 -43.1 178.4 999.9 999.9 999.9 0 0.0 332 -2.9 0 0.0 0 0.0 9 30
330 A 342 ASP D T T 3 T + 0 0 -57.2 -31.1 178.8 48.3 999.9 30.3 327 -3.4 0 0.0 0 0.0 0 0.0 7 29
331 A 343 CYS C T T 3 TS- 0 0 -92.6 15.6 179.5 -110.2 122.0 77.6 328 -1.3 0 0.0 0 0.0 0 0.0 9 32
332 A 344 HIS H S t < TS+ 0 0 56.0 53.8 -179.3 134.0 74.4 20.7 329 -2.9 0 0.0 0 0.0 0 0.0 5 26
333 A 345 ILE I - 0 0 -129.7 140.0 176.9 -129.4 56.5 167.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
334 A 346 THR T - 0 0 -93.6 118.5 179.9 -125.6 29.4 146.5 0 0.0 0 0.0 0 0.0 0 0.0 6 31
335 A 347 PRO P 0 0 -63.8 123.3 177.7 999.9 999.9 116.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
336!A 348 GLU E B B d 197 0 -110.1 999.9 999.9 999.9 999.9 161.7 196 -2.9 198 -2.0 0 0.0 0 0.0 6 35
337!A 350 LYS K 0 0 999.9 149.4 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
338 A 351 PRO P - 0 0 -78.1 147.6 179.4 -116.8 999.9 120.6 0 0.0 340 -0.7 0 0.0 0 0.0 9 42
339 A 352 ILE I B B e - 202 0 -87.8 113.0 178.8 -151.7 14.8 139.1 201 -3.7 341 -2.2 0 0.0 203 -1.1 10 47
340 A 353 ARG R S S S+ 0 0 -81.7 70.5 -177.5 16.5 83.6 121.6 338 -0.7 0 0.0 0 0.0 0 0.0 8 47
341 A 354 GLY G S S S- 0 0 156.9 -155.6 -179.5 -76.1 99.3 163.3 339 -2.2 203 -1.4 0 0.0 0 0.0 8 53
342 A 355 GLY G - 0 0 -131.2 -179.8 178.9 -153.8 26.1 136.6 0 0.0 0 0.0 0 0.0 0 0.0 10 55
343 A 356 THR T h > > T - 0 0 -150.2 158.9 178.2 -111.5 35.9 167.7 0 0.0 347 -1.3 0 0.0 346 -0.7 7 62
344 A 357 ASP D H H > 3 TS+ 0 0 -60.8 -29.8 178.2 64.2 118.6 33.8 0 0.0 348 -3.1 0 0.0 0 0.0 10 67
345 A 358 GLY G H H > 3 TS+ 0 0 -60.7 -39.4 178.6 51.8 98.8 27.1 0 0.0 349 -2.0 0 0.0 0 0.0 13 73
346 A 359 ALA A H H 4 < TS+ 0 0 -67.6 -31.9 177.1 47.7 111.4 32.8 343 -0.7 0 0.0 0 0.0 0 0.0 15 56
347 A 360 GLN Q H H < > TS+ 0 0 -71.5 -48.1 178.1 46.8 113.2 16.9 343 -1.3 350 -1.4 0 0.0 0 0.0 10 54
348 A 361 LEU L H H < 3 TS+ 0 0 -60.0 -31.6 -177.1 67.7 101.0 35.3 344 -3.1 352 -2.2 0 0.0 0 0.0 12 56
349 A 362 SER S T h < 3 T 0 0 -63.8 -21.0 178.5 999.9 999.9 42.4 345 -2.0 0 0.0 0 0.0 0 0.0 11 52
350!A 363 PHE F t < T 0 0 -97.8 999.9 999.9 999.9 999.9 61.8 347 -1.4 0 0.0 0 0.0 0 0.0 8 43
351!A 365 GLY G 0 0 999.9 12.1 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 38
352 A 366 LEU L - 0 0 -135.5 84.1 179.7 -148.4 999.9 134.7 348 -2.2 0 0.0 0 0.0 0 0.0 11 51
353 A 367 PRO P + 0 0 -49.6 129.4 -173.0 178.2 29.2 105.2 0 0.0 187 -2.0 0 0.0 0 0.0 13 55
354 A 368 CYS C - 0 0 -152.0 86.4 179.5 -176.0 15.7 124.9 0 0.0 0 0.0 0 0.0 0 0.0 14 65
355 A 369 PRO P - 0 0 -67.7 174.9 -178.3 -101.4 34.4 94.4 0 0.0 189 -2.5 0 0.0 0 0.0 14 68
356 A 370 ASN N E E DGc - 199 189 -109.9 134.5 -179.0 -156.0 27.5 150.6 199 -3.2 199 -2.3 0 0.0 0 0.0 14 71
357 A 371 LEU L E E DG - 198 0 -104.4 148.7 -179.1 -103.1 28.1 140.9 189 -3.5 192 -1.8 0 0.0 0 0.0 13 79
358 A 372 PHE F e - 0 0 -71.4 166.5 -178.6 -169.2 23.6 102.4 197 -1.2 0 0.0 0 0.0 0 0.0 14 70
359 A 373 THR T - 0 0 -126.8 -23.0 -178.3 -117.3 40.1 57.4 193 -2.2 0 0.0 0 0.0 0 0.0 16 63
360 A 374 GLY G S e S+ 0 0 92.6 2.5 179.6 124.7 73.3 61.9 193 -3.3 372 -0.7 0 0.0 0 0.0 15 62
361 A 375 GLY G E E BL - 371 0 -94.9 157.5 179.0 -164.3 39.7 125.8 0 0.0 0 0.0 0 0.0 0 0.0 16 64
362 A 376 TYR Y E E BL + 370 0 -138.0 164.5 177.7 28.4 58.7 161.3 370 -3.4 370 -1.9 0 0.0 0 0.0 10 54
363 A 377 ASN N S t > TS- 0 0 52.2 53.8 -176.9 -163.0 73.6 21.1 0 0.0 366 -1.2 0 0.0 0 0.0 8 44
364 A 378 TYR Y T T 3 T + 0 0 -36.2 -51.9 -175.3 34.7 65.4 49.4 0 0.0 0 0.0 0 0.0 0 0.0 10 50
365 A 379 HIS H T T 3 TS+ 0 0 -103.3 13.3 -178.5 59.2 104.0 69.7 0 0.0 0 0.0 0 0.0 0 0.0 9 42
366 A 380 GLY G S t X TS- 0 0 -127.8 -171.4 179.5 -88.6 91.7 125.5 363 -1.2 369 -1.2 0 0.0 0 0.0 10 42
367 A 381 LYS K T T 3 TS+ 0 0 -73.5 -8.6 180.0 66.6 119.0 57.1 0 0.0 0 0.0 0 0.0 0 0.0 12 49
368 A 382 HIS H T T 3 TS+ 0 0 -96.0 13.0 179.5 126.4 73.4 79.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
369 A 383 GLU E t < T + 0 0 -72.7 135.3 178.2 159.8 33.3 121.7 366 -1.2 0 0.0 0 0.0 0 0.0 16 59
370 A 384 PHE F E E B L - 0 362 -151.1 169.8 -179.4 -162.8 22.6 165.8 362 -1.9 362 -3.4 0 0.0 0 0.0 14 71
371 A 385 VAL V E E BFL - 125 361 -146.8 166.7 176.5 -130.9 15.9 155.7 125 -1.9 125 -3.0 0 0.0 0 0.0 12 72
372 A 386 THR T E E BF - 124 0 -126.9 136.6 179.6 -135.2 15.9 174.4 360 -0.7 0 0.0 0 0.0 0 0.0 11 62
373 A 387 LEU L S e S+ 0 0 -55.0 -40.6 179.9 55.9 105.2 30.3 123 -1.8 0 0.0 0 0.0 0 0.0 11 51
374 A 388 GLU E 0 0 -61.6 -40.7 179.4 999.9 999.9 28.2 0 0.0 377 -2.1 0 0.0 0 0.0 8 48
375!A 389 GLY G 0 0 -65.6 999.9 999.9 999.9 999.9 26.8 0 0.0 378 -1.9 0 0.0 0 0.0 12 61
376!A 391 GLU E h > T 0 0 999.9 -33.9 177.0 999.9 999.9 999.9 0 0.0 380 -2.7 0 0.0 0 0.0 9 51
377 A 392 LYS K H H > T + 0 0 -68.5 -37.0 178.8 54.6 999.9 27.0 374 -2.1 381 -2.8 0 0.0 0 0.0 9 53
378 A 393 ALA A H H > TS+ 0 0 -59.6 -44.7 178.1 48.1 109.9 19.3 375 -1.9 382 -2.4 0 0.0 0 0.0 13 68
379 A 394 VAL V H H > TS+ 0 0 -57.0 -53.2 179.5 51.3 110.6 15.2 0 0.0 383 -2.6 0 0.0 0 0.0 11 64
380 A 395 GLN Q H H X TS+ 0 0 -51.9 -43.0 -179.4 48.0 111.3 28.5 376 -2.7 384 -2.4 0 0.0 0 0.0 10 53
381 A 396 VAL V H H X TS+ 0 0 -66.7 -43.0 -179.2 49.5 110.2 24.6 377 -2.8 385 -2.8 0 0.0 0 0.0 11 65
382 A 397 ILE I H H X TS+ 0 0 -60.0 -49.7 -178.9 47.3 113.5 19.5 378 -2.4 386 -2.1 0 0.0 0 0.0 10 76
383 A 398 VAL V H H X TS+ 0 0 -59.5 -43.9 179.2 48.4 113.3 26.1 379 -2.6 387 -2.1 0 0.0 0 0.0 12 61
384 A 399 ARG R H H X TS+ 0 0 -64.2 -44.3 179.9 53.1 109.0 25.6 380 -2.4 388 -3.7 0 0.0 0 0.0 11 54
385 A 400 ILE I H H X TS+ 0 0 -59.4 -40.3 -179.9 47.7 110.5 26.6 381 -2.8 389 -2.1 0 0.0 0 0.0 11 67
386 A 401 ALA A H H X TS+ 0 0 -68.7 -39.2 178.3 45.9 114.7 23.9 382 -2.1 390 -1.8 0 0.0 158 -0.5 12 68
387 A 402 GLU E H H X TS+ 0 0 -65.7 -50.5 -178.6 48.7 113.5 15.2 383 -2.1 391 -2.5 0 0.0 0 0.0 11 53
388 A 403 LEU L H H X TS+ 0 0 -58.3 -39.5 179.9 54.8 108.4 27.8 384 -3.7 392 -2.0 0 0.0 0 0.0 10 44
389 A 404 THR T H H < TS+ 0 0 -61.8 -43.4 178.9 44.3 110.7 25.2 385 -2.1 0 0.0 0 0.0 0 0.0 13 50
390 A 405 ALA A H H < > TS+ 0 0 -69.1 -37.1 179.5 60.9 107.4 27.8 386 -1.8 393 -1.6 0 0.0 0 0.0 12 43
391 A 406 LYS K H H < 3 TS+ 0 0 -54.2 -46.5 -179.4 42.8 108.4 20.8 387 -2.5 0 0.0 0 0.0 0 0.0 8 34
392 A 407 ARG R T h < 3 T 0 0 -81.7 3.9 -179.7 999.9 999.9 64.9 388 -2.0 0 0.0 0 0.0 0 0.0 6 31
393 A 408 GLY G t < T 0 0 -115.4 999.9 999.9 999.9 999.9 38.1 390 -1.6 66 -0.7 0 0.0 0 0.0 8 28
1fnoA.pdb
1FNO HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHTS B SS SSSSSSHHHHHHHHHHHHHHH BS TT EEEE SS S EEEEEE B TTS SS EEETT SS E Kabs/Sand
chirality +++++++++++-++---++-+-+-+-++++++++++++++ -+++---+-+ ----+-+-+------+--+---++--++-------+---+--- chirality
bends SSSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSS SS SS SS S SSS SS SS SS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >>><<< >33< >33< >33< 3-turns
bridge-2 B cccccc bridge-2
bridge-1 a B A*AA bbbb a DDD E bridge-1
sheets AAAA AAAAAA BBB C sheets
4-turns >>>>XXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHht B SS SSSSShHHHHHHHHHHHHHHHh BS tTTt EEEE SS S eEEEEEEe BtTTt SS EEETTt SS E summary
sequence DKLLERFLHYVSLDTQSKSGVRQVPSTEGQWKLLRLLKQQLEEGLVNITLSEKGTLATLPANVEGDIPAIGFISHVDTSPDFSGKNVNPQIVENYRGGDI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand E SSSS EE GGGGG TTS EEE SSS HHHHHHHHH HHHHHHSSS EEEEEES GGGT TTTT HHHH SEEEE STTBEE Kabs/Sand
chirality ---+-++--- ++++++++---+---++---++-++++++ +++++++-+-+---------++++-++++++-++++-+------++-+-+++-++ chirality
bends SSSS SSSS SSS SSS SSSSSSS SSSSSSSS S SSSS SSSS SSSS SS SSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>>X<>3<<>3><3< >33< 3-turns
bridge-2 FF cccccc c bridge-2
bridge-1 E EE DDD AA**A bbbb dGG bridge-1
sheets C CC BBB AAAAAA AAAA DD sheets
4-turns >>4>XX><<<<>>>><<<< >444< >>44<< 4-turns
summary EeSSSSeEE gGGGGGgTTteEEE SSS hHHHHHHHHHhhHHHHHHhSS eEEEEEESgGGGgtTTTTthHHHHh SEEEEe tTTeEE summary
sequence ALGIGDEVLSPVFPVLHQLLGQTLITTDGKTLLGADDKAGVAEITALAVLKGNPIPHGDIKVAFTPDEEVGKGAKHFDVEAFGAQWAYTVDGGGVGELEF sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand B EEEEEEEEEE GGG TT HHHHHHHHHHTS TTSSGGG TT EEEE B SSEE EEEEESSHHHHHHHHH HHHHHTTT TT Kabs/Sand
chirality +---+-------+--+--++++- -+++++++++++--+++-++++--+-----+ --+++ ---+-+-++++++++ ++++++-+--+++- chirality
bends SSS S SSSSSSSSSSSS SSSSSSS SS SS SSSSSSSSSS SSSSSSS SS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3>3<<>33<>>3<<>33< >33X33< >>3X<3<>33< 3-turns
bridge-2 IIIIIIII F KKKK bridge-2
bridge-1 e HHHHH JJ KKKK F JJ HHHHH bridge-1
sheets EEEEEEEEEE EEEE EE EEEEE sheets
4-turns >>>>XXXX<<<< >>>>XXX<<<<>>>4<<< 4-turns
summary B EEEEEEEEEEe gGGGgTTt hHHHHHHHHHHhttTTtgGGGgtTTt EEEEe B SeEE eEEEEEShHHHHHHHHHhhHHHHHhTTttTTte summary
sequence ENFNAASVNIKIVGNNVHPGTAKGVVNALSLAARIHAEVPADEAPETTEGYEGFYHLASKGTVDRAEHYIIRDFDRKQFEARKRKEIAKKVGKGLHPDCY sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEEEEEE HHHHTSTHHHHHHHH TTS B BSS HHHHHT EE SEESTTSTT EEES HHHHHHHHHHHHHHHT Kabs/Sand
chirality --------- +++++-++++++++ +-+-- --+---+++++ -+------+-+-++-+++---+ +++++++++++++++ chirality
bends SSSSSSSSSSSSS SS SS SSSSS S S SSSS S SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33< >33< >33<>33< >33X33< >33< 3-turns
bridge-2 c LL bridge-2
bridge-1 IIIIIII*I d e GG LL FF bridge-1
sheets EEEEEEEEE DD BB BBB sheets
4-turns >>44<< >>>>XX<<<< >>>4<<< >>>>XXXXXXXXX<<<< 4-turns
summary EEEEEEEEE hHHHHhthHHHHHHHHhtTTt B BSS hHHHHHht EEe eEEtTTtTTtEEEe hHHHHHHHHHHHHHHHht summary
sequence IELVIEDSYYNREKVVEHPHILDIAQQARDCHITPEKPIRGGTDGAQLSFGLPCPNLFTGGYNYHGKHEFVTLEGEKAVQVIVRIAELTAKRG sequence
310 320 330 340 350 360 370 380 390
Messages
chain break between 43(A 44 ) and 44(A 46 )
chain break between 56(A 58 ) and 57(A 60 )
chain break between 112(A 115 ) and 113(A 117 )
chain break between 144(A 148 ) and 145(A 150 )
chain break between 225(A 230 ) and 226(A 232 )
chain break between 259(A 265 ) and 260(A 267 )
chain break between 267(A 274 ) and 268(A 276 )
chain break between 285(A 293 ) and 286(A 296 )
chain break between 311(A 321 ) and 312(A 323 )
chain break between 328(A 339 ) and 329(A 341 )
chain break between 336(A 348 ) and 337(A 350 )
chain break between 350(A 363 ) and 351(A 365 )
chain break between 375(A 389 ) and 376(A 391 )