Secondary structure calculation program - copyright by David Keith Smith, 1989
1fl1A.pdb
1FL1 VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 192
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 ALA A 0 0 999.9 22.9 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 A 3 GLN Q + 0 0 -94.1 -74.5 -179.8 59.2 999.9 27.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
3 A 4 GLY G S S S- 0 0 -56.3 160.1 179.5 -132.3 75.1 92.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
4 A 5 LEU L E E AA - 48 0 -121.5 119.1 -179.9 -174.9 23.4 166.5 48 -0.6 48 -3.6 0 0.0 0 0.0 12 55
5 A 6 TYR Y E E AAB - 47 113 -110.5 155.7 177.6 -162.6 6.4 141.3 113 -2.6 113 -1.8 0 0.0 0 0.0 14 68
6 A 7 VAL V E E AAB + 46 112 -137.4 141.9 179.8 176.7 10.8 175.5 46 -2.3 46 -2.6 0 0.0 0 0.0 14 75
7 A 8 GLY G E E AAB + 45 111 -144.7 153.1 179.6 111.3 17.6 170.6 111 -1.8 111 -2.3 0 0.0 0 0.0 13 78
8 A 9 GLY G E E AA - 44 0 159.8 164.9 179.6 -70.5 59.7 147.4 44 -1.8 44 -2.7 0 0.0 0 0.0 15 82
9 A 10 PHE F E E AA - 43 0 -81.8 147.7 177.2 -169.7 20.5 123.2 107 -0.5 0 0.0 0 0.0 0 0.0 15 68
10 A 11 VAL V E E A* S+ 0 0 -108.0 -7.2 177.9 14.9 87.9 66.8 42 -2.4 0 0.0 0 0.0 0 0.0 14 63
11 A 12 ASP D E E AA - 42 0 -167.6 126.6 -179.5 -152.9 66.9 146.9 42 -0.9 42 -2.9 0 0.0 13 -0.8 11 45
12 A 13 VAL V + 0 0 -109.0 99.3 -179.9 174.4 16.0 149.2 0 0.0 0 0.0 0 0.0 0 0.0 13 41
13 A 14 VAL V 0 0 -64.1 -65.1 -179.9 999.9 999.9 5.5 11 -0.8 0 0.0 0 0.0 0 0.0 7 25
14!A 15 SER S 0 0 -56.2 999.9 999.9 999.9 999.9 85.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
15!A 38 GLU E 0 0 999.9 120.4 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 25
16 A 39 PRO P - 0 0 -56.8 131.5 178.6 -152.7 999.9 104.4 0 0.0 0 0.0 0 0.0 0 0.0 7 40
17 A 40 LEU L e - 0 0 -103.0 145.7 179.9 -104.1 25.7 144.0 0 0.0 32 -3.1 0 0.0 0 0.0 11 45
18 A 41 PRO P E E AC - 31 0 -70.2 149.3 177.8 -136.7 25.9 112.7 0 0.0 97 -2.1 0 0.0 20 -0.6 13 47
19 A 42 ILE I E E ACd + 30 97 -105.7 122.1 -177.8 173.1 34.3 159.7 30 -2.4 29 -3.0 0 0.0 30 -1.0 16 63
20 A 43 THR T E E A d - 0 98 -123.2 -178.2 -179.6 -101.2 32.3 129.4 97 -2.3 99 -2.9 18 -0.6 22 -0.5 16 62
21 A 44 ILE I E E A d> TS- 0 99 -113.1 122.7 178.0 -28.0 88.2 158.3 0 0.0 24 -2.8 0 0.0 0 0.0 11 64
22 A 45 GLU E T e 3 TS- 0 0 47.3 36.2 179.5 -70.1 110.6 38.2 99 -2.5 0 0.0 20 -0.5 0 0.0 9 52
23 A 46 HIS H T T 3 TS+ 0 0 61.1 11.4 179.6 150.2 94.8 52.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
24 A 47 LEU L t X T - 0 0 -75.3 150.4 179.6 -108.8 50.4 114.9 21 -2.8 27 -0.8 0 0.0 0 0.0 7 40
25 A 48 PRO P T T 3 TS+ 0 0 -76.7 150.8 179.1 19.5 98.9 118.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
26 A 49 GLU E T T 3 TS+ 0 0 61.3 30.7 178.4 113.2 90.2 38.8 0 0.0 153 -2.0 0 0.0 152 -1.7 9 34
27 A 50 THR T B B A < T + 151 0 -120.5 32.9 179.3 147.7 32.2 94.8 24 -0.8 0 0.0 0 0.0 0 0.0 13 48
28 A 51 GLU E + 0 0 -71.8 120.8 -179.7 168.9 13.5 125.4 150 -1.8 0 0.0 0 0.0 0 0.0 14 52
29 A 52 VAL V e - 0 0 -109.4 -9.2 -179.7 -43.8 62.4 61.0 19 -3.0 50 -3.3 0 0.0 49 -1.3 15 57
30 A 53 GLY G E E ACE - 19 48 175.1 -154.1 -179.2 -76.1 66.4 160.6 19 -1.0 19 -2.4 0 0.0 0 0.0 14 58
31 A 54 TRP W E E ACE - 18 47 -141.5 149.8 178.0 -109.1 32.8 170.2 47 -1.7 47 -2.5 0 0.0 0 0.0 15 56
32 A 55 THR T E E A E - 0 46 -72.9 139.0 178.9 -158.1 19.0 122.9 17 -3.1 0 0.0 0 0.0 0 0.0 14 61
33 A 56 LEU L E E A * - 0 0 -99.9 8.1 179.2 -34.0 70.0 74.7 45 -3.4 0 0.0 0 0.0 0 0.0 13 57
34 A 57 GLY G E E A E - 0 45 145.9 145.3 177.9 -131.3 44.5 120.9 45 -0.8 45 -2.0 0 0.0 36 -0.5 12 50
35 A 58 LEU L E E A E - 0 44 -121.2 121.0 -176.6 -161.1 33.8 173.2 0 0.0 0 0.0 0 0.0 0 0.0 9 50
36 A 59 PHE F E E A E - 0 43 -114.4 141.0 179.2 -134.4 20.3 150.5 43 -3.4 43 -2.5 34 -0.5 38 -0.8 8 44
37 A 60 GLN Q E E A E + 0 42 -88.6 108.2 -179.4 169.5 41.0 141.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
38 A 61 VAL V E E A E> T - 0 41 -118.3 167.7 -179.1 -95.0 49.3 139.1 41 -2.9 41 -1.6 36 -0.8 0 0.0 9 36
39 A 62 SER S T T 3 TS+ 0 0 -46.6 -53.2 -177.3 40.5 122.7 24.2 0 0.0 0 0.0 0 0.0 0 0.0 8 31
40 A 63 HIS H T T 3 TS- 0 0 -82.0 2.6 179.0 -72.1 126.5 63.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
41 A 64 GLY G E E A E< TS- 0 38 151.6 -147.8 179.4 -26.6 76.2 177.1 38 -1.6 38 -2.9 0 0.0 43 -0.6 12 40
42 A 65 ILE I E E AAE - 11 37 -112.0 108.7 -178.6 -160.7 56.5 158.3 11 -2.9 10 -2.4 0 0.0 11 -0.9 13 47
43 A 66 PHE F E E AAE - 9 36 -94.4 138.7 -179.0 -156.8 4.0 137.1 36 -2.5 36 -3.4 41 -0.6 0 0.0 13 68
44 A 67 CYS C E E AAE - 8 35 -116.8 146.3 177.9 -173.9 10.3 151.1 8 -2.7 8 -1.8 0 0.0 0 0.0 13 71
45 A 68 THR T E E AAE + 7 34 -135.7 137.0 -179.6 164.1 15.3 176.7 34 -2.0 33 -3.4 0 0.0 34 -0.8 13 71
46 A 69 GLY G E E AAE - 6 32 -150.0 165.9 178.6 -126.4 31.8 164.9 6 -2.6 6 -2.3 0 0.0 0 0.0 13 66
47 A 70 ALA A E E AAE - 5 31 -119.3 129.8 179.3 -143.7 16.6 166.7 31 -2.5 31 -1.7 0 0.0 49 -0.8 13 66
48 A 71 ILE I E E AAE + 4 30 -90.7 110.1 -176.5 148.9 39.4 145.4 4 -3.6 4 -0.6 0 0.0 0 0.0 13 68
49 A 72 THR T e + 0 0 -121.5 -13.6 -179.6 124.5 16.7 54.4 29 -1.3 0 0.0 47 -0.8 0 0.0 13 51
50 A 73 SER S h > T - 0 0 -54.3 116.7 179.8 -157.2 45.1 107.2 29 -3.3 54 -2.6 0 0.0 0 0.0 13 43
51 A 74 PRO P H H > TS+ 0 0 -63.5 -39.9 -179.9 49.2 93.6 24.7 0 0.0 55 -2.0 0 0.0 0 0.0 6 36
52 A 75 ALA A H H > TS+ 0 0 -64.0 -48.5 -179.7 46.4 112.9 18.2 0 0.0 56 -2.4 0 0.0 0 0.0 7 32
53 A 76 PHE F H H > TS+ 0 0 -61.7 -42.0 -180.0 50.5 112.1 25.9 0 0.0 57 -3.2 0 0.0 0 0.0 10 49
54 A 77 LEU L H H X TS+ 0 0 -65.2 -37.6 178.9 49.7 110.3 29.0 50 -2.6 58 -2.4 0 0.0 0 0.0 10 50
55 A 78 GLU E H H X TS+ 0 0 -65.9 -43.3 179.4 47.6 113.2 21.6 51 -2.0 59 -2.9 0 0.0 0 0.0 8 31
56 A 79 LEU L H H X TS+ 0 0 -61.6 -52.1 179.9 46.9 112.7 17.0 52 -2.4 60 -3.0 0 0.0 0 0.0 8 39
57 A 80 ALA A H H X TS+ 0 0 -56.7 -42.7 179.8 48.6 114.6 23.8 53 -3.2 61 -2.4 0 0.0 0 0.0 11 47
58 A 81 SER S H H X TS+ 0 0 -63.9 -42.8 178.9 50.3 110.3 24.2 54 -2.4 62 -1.7 0 0.0 0 0.0 10 37
59 A 82 ARG R H H X TS+ 0 0 -62.3 -40.6 179.6 49.0 112.1 26.2 55 -2.9 63 -1.0 0 0.0 0 0.0 8 28
60 A 83 LEU L H H X TS+ 0 0 -66.5 -40.3 -179.5 53.7 107.5 26.3 56 -3.0 64 -1.1 0 0.0 0 0.0 9 32
61 A 84 ALA A H H < TS+ 0 0 -64.2 -33.5 179.7 64.2 99.6 33.3 57 -2.4 0 0.0 0 0.0 0 0.0 14 30
62 A 85 ASP D H H < TS+ 0 0 -58.4 -43.6 -179.0 27.8 114.8 27.0 58 -1.7 0 0.0 0 0.0 0 0.0 9 25
63 A 86 THR T H H < TS+ 0 0 -99.2 -2.6 179.9 104.6 101.9 60.5 59 -1.0 0 0.0 0 0.0 0 0.0 7 22
64 A 87 SER S S h < > TS- 0 0 -76.9 155.9 178.5 -112.5 85.3 111.8 60 -1.1 67 -1.8 0 0.0 0 0.0 9 29
65 A 88 HIS H G G > > TS+ 0 0 -57.0 -23.5 -178.5 73.1 112.9 39.6 0 0.0 68 -1.4 0 0.0 69 -1.3 7 26
66 A 89 VAL V G G 4 3 TS+ 0 0 -63.5 -28.7 -179.9 58.8 88.2 36.9 0 0.0 0 0.0 0 0.0 0 0.0 10 33
67 A 90 ALA A G G 4 < TS+ 0 0 -74.4 -14.4 -178.9 37.1 114.8 47.1 64 -1.8 0 0.0 0 0.0 0 0.0 10 30
68 A 91 ARG R T g 4 < TS+ 0 0 -111.6 -12.2 -179.4 118.2 86.9 58.3 65 -1.4 0 0.0 0 0.0 0 0.0 6 23
69 A 92 ALA A S t < TS- 0 0 -61.2 131.8 -179.9 -110.7 71.0 110.4 65 -1.3 0 0.0 0 0.0 0 0.0 6 26
70 A 93 PRO P - 0 0 -63.1 146.5 179.1 -92.4 39.4 106.4 0 0.0 0 0.0 0 0.0 0 0.0 4 17
71 A 94 VAL V + 0 0 -60.0 139.4 178.3 177.8 44.4 109.1 0 0.0 0 0.0 0 0.0 0 0.0 7 20
72 A 95 LYS K - 0 0 -105.7 -88.4 -180.0 -38.3 68.3 47.5 74 -0.6 0 0.0 0 0.0 0 0.0 5 20
73 A 96 ASN N S S S+ 0 0 -115.4 -23.9 -178.6 54.9 124.0 52.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
74 A 97 LEU L S S S- 0 0 -112.0 160.9 179.5 -96.4 90.0 134.9 0 0.0 72 -0.6 0 0.0 0 0.0 8 29
75 A 98 PRO P - 0 0 -75.3 149.6 -179.3 -80.7 58.0 118.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
76 A 99 LYS K + 0 0 -53.1 130.8 178.4 170.4 49.3 103.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
77 A 100 GLU E h > T - 0 0 -143.3 72.2 -179.5 -179.2 5.9 126.9 0 0.0 81 -3.0 0 0.0 0 0.0 6 44
78 A 101 PRO P H H > TS+ 0 0 -41.6 -45.6 -179.4 50.7 82.3 35.9 0 0.0 82 -2.4 0 0.0 0 0.0 11 42
79 A 102 LEU L H H > TS+ 0 0 -63.0 -50.1 179.5 42.6 114.1 19.1 0 0.0 83 -1.8 0 0.0 0 0.0 9 52
80 A 103 LEU L H H > TS+ 0 0 -62.0 -41.4 -178.0 49.7 116.7 28.5 0 0.0 84 -1.6 0 0.0 0 0.0 10 59
81 A 104 GLU E H H X TS+ 0 0 -71.0 -34.4 179.5 49.4 108.8 34.9 77 -3.0 85 -0.7 0 0.0 0 0.0 13 51
82 A 105 ILE I H H X TS+ 0 0 -74.4 -32.7 178.7 53.3 109.5 29.8 78 -2.4 86 -2.9 0 0.0 0 0.0 13 48
83 A 106 LEU L H H X TS+ 0 0 -66.3 -36.7 179.3 49.9 108.8 27.4 79 -1.8 87 -2.2 0 0.0 0 0.0 11 66
84 A 107 HIS H H H < TS+ 0 0 -74.5 -16.6 179.8 43.4 115.4 48.6 80 -1.6 0 0.0 0 0.0 0 0.0 14 60
85 A 108 THR T H H < TS+ 0 0 -92.9 -37.8 -177.9 32.1 125.4 34.5 81 -0.7 0 0.0 0 0.0 0 0.0 9 57
86 A 109 TRP W H H < TS+ 0 0 -84.7 -53.7 -177.4 13.9 135.9 21.7 82 -2.9 0 0.0 0 0.0 0 0.0 9 60
87 A 110 LEU L h < T + 0 0 -129.9 68.8 -179.4 149.3 67.0 122.3 83 -2.2 0 0.0 0 0.0 0 0.0 10 71
88 A 111 PRO P + 0 0 -78.4 -4.7 -177.9 73.9 56.5 57.9 0 0.0 110 -2.8 0 0.0 0 0.0 15 65
89 A 112 GLY G E E AFB - 100 109 -115.5 161.6 -179.4 -148.5 62.0 137.3 100 -2.8 100 -3.1 0 0.0 0 0.0 12 67
90 A 113 LEU L E E AF - 99 0 -123.9 151.2 179.3 -179.9 12.2 155.3 108 -2.1 0 0.0 0 0.0 0 0.0 17 68
91 A 114 SER S E E AF - 98 0 -154.9 124.3 179.3 -143.6 18.6 157.6 98 -1.5 98 -3.2 0 0.0 0 0.0 13 52
92 A 115 LEU L E E AF 97 0 -90.6 128.9 179.8 999.9 999.9 140.8 0 0.0 0 0.0 0 0.0 0 0.0 9 53
93!A 116 SER S e 0 0 -62.9 999.9 999.9 999.9 999.9 119.1 96 -3.0 95 -0.7 0 0.0 0 0.0 8 35
94!A 132 PHE F 0 0 999.9 123.4 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
95 A 133 GLN Q - 0 0 -86.2 -61.7 -179.8 -28.0 999.9 19.3 93 -0.7 0 0.0 0 0.0 0 0.0 7 31
96 A 134 HIS H e - 0 0 -151.8 172.8 178.5 -123.2 45.7 160.2 0 0.0 93 -3.0 0 0.0 0 0.0 10 42
97 A 135 VAL V E E AdF - 19 92 -123.2 123.4 -179.6 -153.5 30.3 172.5 18 -2.1 20 -2.3 0 0.0 0 0.0 14 58
98 A 136 SER S E E AdF - 20 91 -107.5 141.0 175.9 -139.1 14.1 146.0 91 -3.2 91 -1.5 0 0.0 0 0.0 13 65
99 A 137 LEU L E E AdF - 21 90 -87.2 128.4 -177.3 -177.9 40.7 143.2 20 -2.9 22 -2.5 0 0.0 0 0.0 13 70
100 A 138 CYS C E E A F - 0 89 -130.6 168.7 177.4 -114.0 47.0 146.9 89 -3.1 89 -2.8 0 0.0 0 0.0 13 61
101 A 139 ALA A S S S- 0 0 -68.2 -28.5 -180.0 -1.8 109.9 36.7 0 0.0 0 0.0 0 0.0 0 0.0 11 56
102 A 140 LEU L S S S- 0 0 -162.7 133.5 -179.8 -109.4 84.5 156.3 0 0.0 0 0.0 0 0.0 0 0.0 12 55
103 A 141 GLY G - 0 0 -68.1 151.8 179.3 -132.7 17.1 107.3 0 0.0 0 0.0 0 0.0 0 0.0 12 56
104 A 142 ARG R S S S+ 0 0 -68.3 -41.7 178.8 46.6 95.5 26.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39
105 A 143 ARG R S t > TS- 0 0 -101.7 153.1 -179.3 -101.5 98.9 136.8 0 0.0 108 -0.9 0 0.0 0 0.0 8 44
106 A 144 ARG R T T 3 TS+ 0 0 -73.8 146.6 179.2 30.1 101.2 114.2 0 0.0 0 0.0 0 0.0 0 0.0 12 41
107 A 145 GLY G T T 3 TS+ 0 0 86.0 5.5 -178.2 123.4 80.0 60.3 0 0.0 9 -0.5 0 0.0 0 0.0 15 52
108 A 146 THR T t < T + 0 0 -91.4 33.8 179.5 141.4 30.2 93.2 105 -0.9 90 -2.1 0 0.0 0 0.0 17 61
109 A 147 VAL V B B B - 89 0 -78.1 138.1 -178.8 -133.8 43.7 123.9 0 0.0 0 0.0 0 0.0 0 0.0 16 71
110 A 148 ALA A - 0 0 -90.4 161.8 175.4 -147.0 6.6 117.8 88 -2.8 0 0.0 0 0.0 0 0.0 12 82
111 A 149 VAL V E E AB - 7 0 -128.7 117.5 179.4 -163.0 15.6 171.5 7 -2.3 7 -1.8 0 0.0 0 0.0 14 71
112 A 150 TYR Y E E AB + 6 0 -100.5 144.2 179.6 138.1 25.4 144.7 0 0.0 0 0.0 0 0.0 0 0.0 13 68
113 A 151 GLY G E E AB - 5 0 -172.3 169.7 -180.0 -120.9 57.3 169.8 5 -1.8 5 -2.6 0 0.0 0 0.0 11 54
114 A 152 HIS H S S S+ 0 0 -95.4 -17.9 -178.7 67.9 98.4 48.7 0 0.0 116 -0.7 0 0.0 0 0.0 10 41
115 A 153 ASP D h > T - 0 0 -107.9 107.6 -179.7 -162.1 65.3 153.4 0 0.0 119 -2.7 0 0.0 0 0.0 9 39
116 A 154 ALA A H H > TS+ 0 0 -54.7 -41.2 179.9 51.3 93.9 29.3 114 -0.7 120 -2.6 0 0.0 0 0.0 11 48
117 A 155 GLU E H H > TS+ 0 0 -65.0 -40.7 178.9 48.2 110.5 25.8 0 0.0 121 -2.5 0 0.0 0 0.0 7 44
118 A 156 TRP W H H > TS+ 0 0 -64.8 -42.4 -179.9 52.7 110.9 23.2 0 0.0 122 -0.8 0 0.0 0 0.0 8 43
119 A 157 VAL V H H < > TS+ 0 0 -57.5 -57.0 -179.8 40.3 113.8 12.9 115 -2.7 122 -1.4 0 0.0 0 0.0 15 58
120 A 158 VAL V H H < > TS+ 0 0 -62.2 -35.8 -180.0 62.1 109.1 28.6 116 -2.6 123 -1.7 0 0.0 0 0.0 12 60
121 A 159 SER S H H < 3 TS+ 0 0 -65.7 -14.5 179.2 72.0 88.6 48.9 117 -2.5 0 0.0 0 0.0 0 0.0 9 44
122 A 160 ARG R T h < < TS+ 0 0 -70.9 -23.1 -178.2 78.7 82.9 39.3 119 -1.4 185 -3.2 118 -0.8 124 -1.1 11 48
123 A 161 PHE F B B C X T + 184 0 -92.5 95.1 -179.3 179.9 55.1 135.7 120 -1.7 126 -1.9 0 0.0 0 0.0 12 56
124 A 162 SER S T T 3 TS+ 0 0 -69.2 -7.0 179.0 67.7 80.7 56.2 183 -1.9 0 0.0 122 -1.1 0 0.0 9 41
125 A 163 SER S T T 3 TS+ 0 0 -87.7 -9.0 178.6 80.3 85.6 59.0 182 -0.6 127 -0.7 0 0.0 0 0.0 9 45
126 A 164 VAL V S t < TS- 0 0 -101.2 114.8 -178.0 -129.6 87.6 154.8 123 -1.9 0 0.0 0 0.0 0 0.0 12 49
127 A 165 SER S h > T - 0 0 -61.3 162.5 179.8 -108.8 19.2 94.4 125 -0.7 131 -3.2 0 0.0 0 0.0 7 33
128 A 166 LYS K H H > TS+ 0 0 -59.5 -42.0 179.5 48.4 121.4 26.6 0 0.0 132 -2.1 0 0.0 0 0.0 6 24
129 A 167 SER S H H > TS+ 0 0 -65.1 -43.5 179.6 48.8 112.2 23.5 0 0.0 133 -2.1 0 0.0 0 0.0 6 23
130 A 168 GLU E H H > TS+ 0 0 -60.8 -46.6 179.3 50.2 111.3 19.1 0 0.0 134 -2.7 0 0.0 0 0.0 9 36
131 A 169 ARG R H H X TS+ 0 0 -59.6 -39.4 -179.8 52.8 108.2 28.5 127 -3.2 135 -2.8 0 0.0 0 0.0 11 41
132 A 170 ALA A H H X TS+ 0 0 -64.2 -41.1 179.3 47.4 110.6 23.8 128 -2.1 136 -2.2 0 0.0 0 0.0 8 31
133 A 171 HIS H H H X TS+ 0 0 -63.8 -47.9 179.2 47.6 113.5 19.9 129 -2.1 137 -2.0 0 0.0 0 0.0 8 31
134 A 172 ILE I H H X TS+ 0 0 -59.5 -47.0 -178.3 47.1 114.0 20.8 130 -2.7 138 -2.7 0 0.0 0 0.0 10 46
135 A 173 LEU L H H X TS+ 0 0 -66.5 -36.6 179.6 52.4 109.2 28.9 131 -2.8 139 -2.7 0 0.0 0 0.0 11 44
136 A 174 GLN Q H H X TS+ 0 0 -64.5 -38.8 179.5 47.0 112.8 24.6 132 -2.2 140 -0.6 0 0.0 0 0.0 8 27
137 A 175 HIS H H H < > TS+ 0 0 -66.9 -46.4 -178.8 50.1 112.6 19.4 133 -2.0 140 -0.7 0 0.0 0 0.0 10 33
138 A 176 VAL V H H < > TS+ 0 0 -57.0 -58.9 -179.6 45.8 110.6 16.9 134 -2.7 141 -1.5 0 0.0 0 0.0 11 45
139 A 177 SER S H H < 3 TS+ 0 0 -64.1 -9.7 179.0 74.0 98.3 54.3 135 -2.7 0 0.0 0 0.0 0 0.0 7 33
140 A 178 SER S T h < < TS+ 0 0 -86.4 12.6 179.8 79.3 86.2 72.8 137 -0.7 142 -0.5 136 -0.6 0 0.0 6 24
141 A 179 CYS C S t < TS- 0 0 -124.5 112.9 178.0 -146.8 73.8 162.2 138 -1.5 143 -0.6 0 0.0 0 0.0 7 31
142 A 180 ARG R - 0 0 -75.4 119.6 -178.1 -160.6 12.4 133.0 140 -0.5 0 0.0 0 0.0 0 0.0 7 28
143 A 181 LEU L S t > TS+ 0 0 -73.0 -35.1 179.8 76.6 78.5 32.3 141 -0.6 145 -2.2 0 0.0 146 -1.8 6 37
144 A 182 GLU E T T 3 TS+ 0 0 -67.3 36.5 179.9 52.3 97.5 89.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
145 A 183 ASP D T T 3 TS+ 0 0 -156.5 15.5 177.4 111.9 74.7 75.3 143 -2.2 0 0.0 0 0.0 0 0.0 5 22
146 A 184 LEU L S t < TS- 0 0 -90.0 155.0 -179.7 -89.9 78.3 129.1 143 -1.8 0 0.0 0 0.0 0 0.0 7 33
147 A 185 SER S - 0 0 -67.7 143.0 179.9 -93.9 50.1 112.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
148 A 186 THR T - 0 0 -56.8 132.4 179.8 -118.6 42.9 107.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
149 A 187 PRO P - 0 0 -75.7 140.6 179.5 -118.0 21.2 121.5 0 0.0 151 -1.3 0 0.0 0 0.0 11 40
150 A 188 ASN N + 0 0 -81.8 94.2 179.7 163.8 45.6 131.1 0 0.0 28 -1.8 0 0.0 152 -0.7 9 32
151 A 189 PHE F B B A + 27 0 -115.5 93.9 -179.7 117.9 25.5 148.3 149 -1.3 0 0.0 0 0.0 0 0.0 11 37
152 A 190 VAL V + 0 0 -135.9 1.6 179.8 135.9 28.2 69.3 26 -1.7 0 0.0 150 -0.7 0 0.0 6 29
153 A 191 SER S - 0 0 -54.9 140.3 179.9 -97.3 66.6 102.2 26 -2.0 0 0.0 0 0.0 0 0.0 9 29
154 A 192 PRO P h > > T - 0 0 -58.8 143.0 -179.8 -125.8 26.9 107.9 0 0.0 158 -1.0 0 0.0 157 -0.6 6 24
155 A 193 LEU L H H > 3 TS+ 0 0 -58.6 -34.8 -179.7 67.4 107.5 29.9 0 0.0 159 -2.6 0 0.0 0 0.0 6 30
156 A 194 GLU E H H > 3 TS+ 0 0 -50.4 -49.2 -179.0 53.5 95.7 25.9 0 0.0 160 -2.7 0 0.0 0 0.0 6 21
157 A 195 THR T H H > < TS+ 0 0 -56.7 -41.1 180.0 45.6 110.8 29.9 154 -0.6 161 -1.4 0 0.0 0 0.0 8 28
158 A 196 LEU L H H X TS+ 0 0 -71.3 -40.4 179.3 52.2 111.7 25.7 154 -1.0 162 -1.9 0 0.0 0 0.0 9 38
159 A 197 MET M H H X TS+ 0 0 -62.8 -40.0 179.5 56.5 104.1 25.2 155 -2.6 163 -2.5 0 0.0 0 0.0 8 33
160 A 198 ALA A H H X TS+ 0 0 -56.7 -43.7 179.5 49.4 108.1 21.8 156 -2.7 164 -2.4 0 0.0 0 0.0 8 24
161 A 199 LYS K H H X TS+ 0 0 -61.9 -41.3 179.4 51.2 109.3 28.1 157 -1.4 165 -2.4 0 0.0 0 0.0 9 35
162 A 200 ALA A H H X TS+ 0 0 -65.1 -38.3 179.5 48.9 110.5 29.0 158 -1.9 166 -1.1 0 0.0 0 0.0 10 39
163 A 201 ILE I H H < TS+ 0 0 -67.7 -42.8 178.9 49.4 111.7 22.3 159 -2.5 0 0.0 0 0.0 0 0.0 8 22
164 A 202 ASP D H H < > TS+ 0 0 -62.0 -41.5 -179.8 63.1 101.5 26.7 160 -2.4 167 -2.3 0 0.0 0 0.0 8 25
165 A 203 ALA A H H < > TS+ 0 0 -51.6 -37.7 -179.2 64.9 93.1 29.4 161 -2.4 168 -2.1 0 0.0 0 0.0 9 35
166 A 204 GLY G T h < 3 TS+ 0 0 -58.8 -23.4 -179.6 47.5 103.1 42.0 162 -1.1 0 0.0 0 0.0 0 0.0 6 25
167 A 205 PHE F T T < TS+ 0 0 -105.4 16.3 177.1 120.7 76.3 78.7 164 -2.3 169 -0.7 0 0.0 0 0.0 6 20
168 A 206 ILE I S t X TS- 0 0 -79.8 118.3 -178.7 -118.5 70.8 136.9 165 -2.1 171 -1.5 0 0.0 0 0.0 7 26
169 A 207 ARG R T T 3 TS- 0 0 -62.8 134.4 177.8 -0.4 87.3 109.8 167 -0.7 0 0.0 0 0.0 0 0.0 4 19
170 A 208 ASP D T h > 3 TS+ 0 0 62.0 19.9 -179.3 143.2 86.9 46.5 0 0.0 174 -3.0 0 0.0 0 0.0 6 21
171 A 209 ARG R H H > < T + 0 0 -54.9 -56.3 -179.1 43.9 69.4 19.3 168 -1.5 175 -2.3 0 0.0 0 0.0 8 38
172 A 210 LEU L H H > TS+ 0 0 -62.1 -30.4 179.8 48.7 116.4 35.9 0 0.0 176 -1.2 0 0.0 0 0.0 7 35
173 A 211 ASP D H H > TS+ 0 0 -76.1 -40.3 179.2 49.0 111.0 27.1 0 0.0 177 -2.0 0 0.0 0 0.0 8 30
174 A 212 LEU L H H X TS+ 0 0 -66.4 -33.9 179.1 54.7 108.5 32.0 170 -3.0 178 -2.6 0 0.0 0 0.0 9 36
175 A 213 LEU L H H X TS+ 0 0 -67.0 -36.0 179.2 51.5 107.0 29.2 171 -2.3 179 -1.7 0 0.0 0 0.0 11 49
176 A 214 LYS K H H X TS+ 0 0 -65.5 -47.1 179.8 42.3 113.7 21.1 172 -1.2 180 -1.3 0 0.0 0 0.0 9 36
177 A 215 THR T H H X TS+ 0 0 -68.3 -35.9 178.8 60.0 108.7 28.7 173 -2.0 181 -2.8 0 0.0 0 0.0 10 32
178 A 216 ASP D H H X TS+ 0 0 -57.4 -38.4 179.7 53.8 102.8 26.8 174 -2.6 182 -1.9 0 0.0 0 0.0 12 51
179 A 217 ARG R H H X >TS+ 0 0 -63.6 -40.2 179.1 46.1 109.9 26.6 175 -1.7 184 -1.9 0 0.0 183 -0.5 12 49
180 A 218 GLY G H H < >5TS+ 0 0 -68.8 -42.4 179.9 52.8 110.5 23.6 176 -1.3 183 -0.9 0 0.0 0 0.0 9 38
181 A 219 VAL V H H < 35TS+ 0 0 -61.8 -34.7 179.7 47.0 110.9 33.0 177 -2.8 0 0.0 0 0.0 0 0.0 9 43
182 A 220 ALA A H H < 35TS- 0 0 -83.4 -9.4 -179.8 -130.3 107.7 54.1 178 -1.9 125 -0.6 0 0.0 0 0.0 14 52
183 A 221 SER S T h < <5T - 0 0 60.9 48.4 -179.6 -175.6 36.1 22.4 180 -0.9 124 -1.9 179 -0.5 0 0.0 9 44
184 A 222 ILE I B B C 33X33< >33< >>3<< 3-turns
bridge-2 BBB ddd EEE*EEEEE EEEEEEEE B FFFF bridge-2
bridge-1 AAAAAA*A CC A CC AAAAAAA FFFF ddd bridge-1
sheets AAAAAAAA AAAA AAAAAAAAA AAAAAAAA AAAA AAAA sheets
4-turns >>>>XXXXXXX<<<<>444< >>>>XXX<<<< 4-turns
summary SEEEEEEEE eEEEEeTtTTB eEEEEEEEEETTEEEEEEEEehHHHHHHHHHHHHHhGGGgt SS hHHHHHHHHHh EEEEe eEEEE summary
sequence AQGLYVGGFVDVVSEPLPITIEHLPETEVGWTLGLFQVSHGIFCTGAITSPAFLELASRLADTSHVARAPVKNLPKEPLLEILHTWLPGLSLSFQHVSLC sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS SSTT B EEES HHHHHHTBTTS HHHHHHHHHHHHTS STTS B HHHHHHHHHHHTTSTTHHHHHHHHHHHHTB SS Kabs/Sand
chirality ---+-+++---+-+-++++++++++--+++++++++++++--+++----+++--+++++++++++++--++++++++++++----++-+- chirality
bends SS SSSS S SSSSSSS SSS SSSSSSSSSSSSSS SSSS SSSSSSSSSSSSSSSS SSSSSSSSSSS SS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3>3<< >33< >33< >>333< 3-turns
bridge-2 bridge-2
bridge-1 B BBB C A C bridge-1
sheets AAA sheets
4-turns >>>><<<< >>>>XXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXX<<<< 4-turns
summary SS StTTtB EEEShHHHHHHhBTTthHHHHHHHHHHHHht tTTt B hHHHHHHHHHHHhTtThHHHHHHHHHHHHhB SS summary
sequence ALGRRRGTVAVYGHDAEWVVSRFSSVSKSERAHILQHVSSCRLEDLSTPNFVSPLETLMAKAIDAGFIRDRLDLLKTDRGVASILSPVYLKA sequence
110 120 130 140 150 160 170 180 190
Messages
chain break between 14(A 15 ) and 15(A 38 )
chain break between 93(A 116 ) and 94(A 132 )