Secondary structure calculation program - copyright by David Keith Smith, 1989
1b35B.pdb
1B35 VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 255
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 B 16 GLU E 0 0 999.9 158.5 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 B 17 ASN N + 0 0 20.8 95.7 177.0 112.5 999.9 42.2 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 B 18 SER S + 0 0 170.4 105.4 178.0 105.7 23.7 108.5 0 0.0 0 0.0 0 0.0 0 0.0 4 6
4 B 19 HIS H - 0 0 -173.7 155.5 179.5 -100.0 59.4 158.1 0 0.0 6 -0.5 0 0.0 0 0.0 4 7
5 B 20 ILE I - 0 0 -90.1 124.2 179.7 -148.0 28.1 140.1 0 0.0 7 -0.9 0 0.0 0 0.0 4 10
6 B 21 GLU E + 0 0 -94.3 102.7 -178.9 140.6 42.2 143.5 4 -0.5 0 0.0 0 0.0 0 0.0 4 11
7 B 22 ASN N g > T + 0 0 -131.4 27.5 -179.2 127.8 18.1 89.4 5 -0.9 10 -2.4 0 0.0 0 0.0 6 14
8 B 23 GLU E G G > T + 0 0 -59.7 -20.8 179.1 66.7 68.7 44.5 0 0.0 11 -1.2 0 0.0 0 0.0 7 15
9 B 24 ASP D G G 3 TS+ 0 0 -75.0 -10.9 -179.7 52.2 100.5 50.0 0 0.0 0 0.0 0 0.0 0 0.0 7 15
10 B 25 LYS K G G < TS+ 0 0 -106.4 11.4 -178.9 124.8 82.5 76.8 7 -2.4 0 0.0 0 0.0 0 0.0 7 15
11 B 26 ARG R e < T - 0 0 -80.2 130.5 177.7 -152.6 47.6 124.8 8 -1.2 26 -2.2 0 0.0 13 -0.5 10 18
12 B 27 LEU L E E AA - 25 0 -101.7 126.4 179.5 -169.1 13.2 153.7 0 0.0 0 0.0 0 0.0 0 0.0 8 18
13 B 28 THR T E E AA - 24 0 -119.3 136.6 -179.9 -161.3 3.6 162.1 24 -2.4 24 -2.2 11 -0.5 0 0.0 8 21
14 B 29 SER S E E AA + 23 0 -119.5 136.4 179.4 174.1 11.2 162.4 0 0.0 0 0.0 0 0.0 0 0.0 8 18
15 B 30 GLU E E E AA - 22 0 -143.3 131.3 177.5 -154.0 19.1 171.9 22 -1.9 22 -2.7 0 0.0 17 -0.6 7 15
16 B 31 GLN Q E E AA + 21 0 -105.2 116.5 178.9 179.4 14.3 157.7 0 0.0 18 -0.6 0 0.0 0 0.0 8 12
17 B 32 LYS K E E AA > T - 20 0 -119.8 95.3 -178.1 -70.1 61.2 152.0 20 -3.4 20 -2.0 15 -0.6 0 0.0 7 12
18 B 33 GLU E T T 3 TS- 0 0 57.0 -119.6 -179.3 -6.4 120.5 112.5 16 -0.6 0 0.0 0 0.0 0 0.0 5 12
19 B 34 ILE I T T 3 TS+ 0 0 -89.6 15.7 -179.6 88.5 121.9 76.3 0 0.0 0 0.0 0 0.0 0 0.0 5 16
20 B 35 VAL V E E AA < T - 17 0 -121.0 128.0 179.8 -165.1 55.4 163.5 17 -2.0 17 -3.4 0 0.0 22 -0.5 6 14
21 B 36 HIS H E E AA - 16 0 -112.6 118.5 179.4 -165.9 9.3 159.7 0 0.0 0 0.0 0 0.0 0 0.0 9 13
22 B 37 PHE F E E AA - 15 0 -104.6 143.5 176.2 -176.8 9.4 144.7 15 -2.7 15 -1.9 20 -0.5 0 0.0 9 16
23 B 38 VAL V E E AA + 14 0 -139.1 110.8 -178.7 179.7 14.4 157.7 0 0.0 0 0.0 0 0.0 0 0.0 8 18
24 B 39 SER S E E AA - 13 0 -116.7 156.5 -179.6 -150.4 19.2 143.7 13 -2.2 13 -2.4 0 0.0 0 0.0 8 20
25 B 40 GLU E E E AA + 12 0 -127.3 118.6 179.9 20.3 59.4 167.6 0 0.0 0 0.0 0 0.0 0 0.0 9 17
26 B 41 GLY G S e S- 0 0 122.1 -180.0 179.9 -22.4 98.7 130.3 11 -2.2 0 0.0 0 0.0 0 0.0 9 17
27 B 42 VAL V - 0 0 -66.2 143.0 -179.0 -165.1 50.5 111.4 0 0.0 0 0.0 0 0.0 0 0.0 7 17
28 B 43 THR T - 0 0 -135.7 87.3 -179.9 -161.1 3.7 138.5 0 0.0 0 0.0 0 0.0 0 0.0 4 19
29 B 44 PRO P - 0 0 -69.5 138.2 179.1 -179.0 13.4 115.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
30 B 45 SER S + 0 0 -138.3 154.1 -178.4 173.3 5.1 165.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
31 B 46 THR T - 0 0 -150.7 172.9 179.1 -123.3 25.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10
32 B 47 THR T - 0 0 -128.6 132.7 -178.3 -129.6 21.5 173.6 0 0.0 0 0.0 0 0.0 0 0.0 7 10
33 B 48 ALA A S S S+ 0 0 -53.9 -17.4 178.8 27.2 95.8 50.4 0 0.0 0 0.0 0 0.0 0 0.0 4 9
34 B 49 LEU L S S S- 0 0 -137.2 171.2 179.8 -94.8 97.8 149.9 0 0.0 0 0.0 0 0.0 0 0.0 5 9
35 B 50 PRO P S S S- 0 0 -56.6 -38.6 178.0 -14.9 106.5 27.1 0 0.0 0 0.0 0 0.0 0 0.0 5 9
36 B 51 ASP D - 0 0 -156.9 162.9 179.6 -117.4 68.9 166.1 0 0.0 38 -0.6 0 0.0 0 0.0 5 10
37 B 52 ILE I + 0 0 -115.5 119.5 179.6 169.1 33.5 160.5 0 0.0 0 0.0 0 0.0 0 0.0 6 10
38 B 53 VAL V - 0 0 -126.9 141.0 -179.2 -133.3 24.8 166.5 36 -0.6 0 0.0 0 0.0 0 0.0 4 12
39 B 54 ASN N - 0 0 -92.1 160.0 178.9 -107.6 24.0 121.4 0 0.0 0 0.0 0 0.0 0 0.0 4 13
40 B 55 LEU L - 0 0 -82.2 158.1 180.0 -81.5 48.5 118.5 0 0.0 0 0.0 0 0.0 0 0.0 6 14
41 B 56 SER S h > > T - 0 0 -60.1 147.6 179.1 -129.5 27.8 101.8 0 0.0 45 -2.1 0 0.0 44 -0.6 6 14
42 B 57 THR T H H > 3 TS+ 0 0 -66.6 -30.0 -179.5 60.7 108.1 37.0 0 0.0 46 -1.7 0 0.0 0 0.0 7 16
43 B 58 ASN N H H 4 3 TS+ 0 0 -70.6 -27.1 178.0 43.4 107.4 40.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
44 B 59 TYR Y H H 4 X TS+ 0 0 -82.7 -42.6 179.5 54.7 111.1 28.0 41 -0.6 47 -2.1 0 0.0 0 0.0 8 14
45 B 60 LEU L H H < >>TS+ 0 0 -59.3 -32.6 179.0 62.6 98.7 34.2 41 -2.1 50 -1.5 0 0.0 48 -1.5 10 15
46 B 61 ASP D T h < 35TS+ 0 0 -68.7 -9.9 179.7 77.0 87.1 52.1 42 -1.7 0 0.0 0 0.0 0 0.0 9 15
47 B 62 LYS K T T <5TS+ 0 0 -82.2 6.8 177.5 14.8 111.2 68.1 44 -2.1 0 0.0 0 0.0 0 0.0 7 12
48 B 63 ASN N T T <5TS- 0 0 -140.1 -64.6 -178.8 -17.5 135.4 60.6 45 -1.5 0 0.0 0 0.0 0 0.0 6 12
49 B 64 THR T T T 5TS+ 0 0 -129.5 -14.5 -178.5 115.7 87.5 56.3 0 0.0 0 0.0 0 0.0 0 0.0 6 15
50 B 65 ARG R t T - 0 0 -102.8 -176.1 179.6 -87.2 47.7 112.1 0 0.0 60 -2.0 0 0.0 0 0.0 6 24
57 B 72 ILE I H H > TS+ 0 0 -59.0 -44.3 179.6 51.3 127.9 23.5 0 0.0 61 -1.8 0 0.0 0 0.0 7 34
58 B 73 LYS K H H 4 TS+ 0 0 -62.2 -36.4 179.3 53.8 107.5 31.8 0 0.0 0 0.0 0 0.0 0 0.0 10 36
59 B 74 ASP D H H 4 > TS+ 0 0 -65.8 -43.5 179.5 51.3 106.1 24.9 0 0.0 62 -1.2 0 0.0 0 0.0 8 28
60 B 75 PHE F H H < > TS+ 0 0 -58.3 -44.7 -179.3 51.8 109.1 21.6 56 -2.0 63 -1.5 0 0.0 0 0.0 11 34
61 B 76 LEU L T h < 3 TS+ 0 0 -69.0 -8.7 179.9 58.0 105.1 57.3 57 -1.8 219 -1.5 0 0.0 0 0.0 11 47
62 B 77 SER S T T < TS+ 0 0 -100.9 -2.3 -179.5 108.4 80.8 64.6 59 -1.2 0 0.0 0 0.0 0 0.0 10 40
63 B 78 ARG R S t < TS- 0 0 -79.6 132.0 179.8 -111.5 77.6 127.5 60 -1.5 0 0.0 0 0.0 0 0.0 8 37
64 B 79 PRO P - 0 0 -62.7 136.4 179.5 -166.0 37.9 110.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
65 B 80 ILE I E E BB - 217 0 -128.3 147.4 179.5 -113.6 23.6 163.5 217 -2.8 217 -1.5 0 0.0 67 -0.5 7 36
66 B 81 ILE I E E BB + 216 0 -80.5 121.3 179.3 176.4 28.5 131.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
67 B 82 ILE I E E B* - 0 0 -91.5 -31.8 178.9 -27.4 68.5 39.3 215 -3.0 0 0.0 65 -0.5 0 0.0 9 44
68 B 83 ALA A E E BB - 215 0 179.2 149.5 176.9 -153.2 42.5 153.3 215 -1.1 215 -3.5 0 0.0 0 0.0 7 35
69 B 84 THR T E E BB + 214 0 -130.2 119.9 -178.8 161.5 36.0 174.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
70 B 85 ASN N E E BB - 213 0 -136.9 175.6 179.5 -98.2 36.2 147.1 213 -2.1 213 -1.9 0 0.0 0 0.0 7 33
71 B 86 LEU L E E BB - 212 0 -99.3 143.0 177.1 -155.6 16.0 137.3 0 0.0 73 -0.6 0 0.0 0 0.0 8 37
72 B 87 TRP W E E BB - 211 0 -116.4 106.6 -178.1 -150.4 25.3 165.6 211 -2.7 211 -1.9 0 0.0 0 0.0 11 49
73 B 88 SER S E E BB > T - 210 0 -82.3 152.3 179.9 -131.5 19.6 117.9 71 -0.6 76 -1.2 0 0.0 0 0.0 10 41
74 B 89 VAL V T e 3 TS+ 0 0 -77.2 -8.1 179.0 58.2 109.0 55.5 209 -1.4 0 0.0 0 0.0 0 0.0 12 40
75 B 90 SER S T T 3 TS+ 0 0 -101.2 4.5 178.6 114.5 77.9 70.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
76 B 91 ASP D t < T - 0 0 -76.3 125.6 -179.8 -126.6 67.5 129.7 73 -1.2 0 0.0 0 0.0 0 0.0 10 33
77 B 92 PRO P t > T - 0 0 -72.3 158.4 176.9 -87.8 29.9 107.0 0 0.0 80 -1.7 0 0.0 0 0.0 7 30
78 B 93 VAL V T T 3 TS+ 0 0 -61.7 143.7 179.8 27.0 115.7 112.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
79 B 94 GLU E T T 3 TS+ 0 0 81.7 -2.3 178.6 144.6 85.7 68.1 197 -2.7 0 0.0 0 0.0 0 0.0 9 36
80 B 95 LYS K e < T - 0 0 -69.7 139.0 179.4 -129.5 51.8 117.8 77 -1.7 197 -2.0 0 0.0 82 -1.0 8 35
81 B 96 GLN Q E E CC - 196 0 -92.1 100.9 -178.8 -177.3 25.7 141.3 0 0.0 0 0.0 0 0.0 0 0.0 9 43
82 B 97 LEU L E E C* - 0 0 -68.4 -32.7 -176.7 -9.4 62.0 35.9 195 -1.5 0 0.0 80 -1.0 0 0.0 9 46
83 B 98 TYR Y E E CC - 195 0 -165.6 156.4 178.8 -168.7 54.2 172.4 195 -1.2 195 -2.6 0 0.0 0 0.0 7 45
84 B 99 THR T E E CC - 194 0 -151.0 149.7 179.7 -173.6 5.9 172.7 0 0.0 0 0.0 0 0.0 0 0.0 9 53
85 B 100 ALA A E E CC - 193 0 -148.6 147.3 179.2 -138.0 16.6 177.9 193 -1.2 193 -1.9 0 0.0 0 0.0 8 55
86 B 101 ASN N E E >CC T - 192 0 -106.9 136.0 179.1 -112.8 32.5 151.1 0 0.0 90 -2.3 0 0.0 0 0.0 14 55
87 B 102 PHE F E E 4CC TS+ 191 0 -118.5 140.3 1.1 8.1 91.1 161.4 191 -2.4 190 -2.1 0 0.0 191 -0.5 10 69
88 B 103 PRO P T h > > TS+ 0 0 -82.3 6.7 -179.8 75.6 116.9 166.6 0 0.0 92 -2.5 0 0.0 91 -1.7 9 73
89 B 104 GLU E H H > 3 TS+ 0 0 -42.4 -54.2 -179.1 42.7 101.5 26.7 0 0.0 93 -1.3 0 0.0 0 0.0 11 59
90 B 105 VAL V H H < 3 TS+ 0 0 -70.5 -15.1 179.3 54.8 112.8 50.1 86 -2.3 0 0.0 0 0.0 0 0.0 11 57
91 B 106 LEU L H H 4 X TS+ 0 0 -83.6 -39.4 -179.5 45.7 109.2 30.6 88 -1.7 94 -0.7 0 0.0 0 0.0 9 64
92 B 107 ILE I H H < 3 TS+ 0 0 -76.0 -22.9 178.4 60.2 105.3 43.5 88 -2.5 0 0.0 0 0.0 0 0.0 10 65
93 B 108 SER S T h < 3 TS+ 0 0 -80.7 -6.6 178.5 100.0 83.9 54.8 89 -1.3 95 -0.6 0 0.0 0 0.0 10 45
94 B 109 ASN N S h > < TS- 0 0 -82.3 117.0 -177.1 -141.6 74.2 135.1 91 -0.7 98 -2.7 0 0.0 0 0.0 8 44
95 B 110 ALA A H H > TS+ 0 0 -44.7 -52.5 -179.1 49.0 95.6 32.7 93 -0.6 99 -2.1 0 0.0 0 0.0 7 33
96 B 111 MET M H H > TS+ 0 0 -60.4 -42.8 179.5 43.6 115.0 28.5 0 0.0 100 -0.8 0 0.0 0 0.0 7 32
97 B 112 TYR Y H H > > TS+ 0 0 -68.3 -50.0 -178.8 52.8 112.4 16.4 0 0.0 101 -1.5 0 0.0 100 -1.0 12 48
98 B 113 GLN Q H H X 3 TS+ 0 0 -53.2 -44.3 -180.0 56.5 103.5 29.0 94 -2.7 102 -0.9 0 0.0 0 0.0 11 47
99 B 114 ASP D H H < 3 TS+ 0 0 -59.5 -31.1 179.9 43.6 111.6 35.9 95 -2.1 0 0.0 0 0.0 0 0.0 7 36
100 B 115 LYS K H H < < TS+ 0 0 -87.1 -21.9 179.9 56.7 109.2 46.0 97 -1.0 0 0.0 96 -0.8 0 0.0 9 40
101 B 116 LEU L H H < > TS+ 0 0 -86.8 -8.9 178.9 108.2 80.8 58.0 97 -1.5 104 -1.3 0 0.0 0 0.0 10 50
102 B 117 LYS K T h < 3 TS+ 0 0 -70.3 137.6 -179.5 31.1 76.3 119.8 98 -0.9 0 0.0 0 0.0 0 0.0 8 42
103 B 118 GLY G T e 3 TS+ 0 0 94.8 1.4 179.1 101.6 99.7 62.3 0 0.0 228 -0.9 0 0.0 0 0.0 11 31
104 B 119 PHE F E E BD < T - 227 0 -116.8 161.1 179.9 -153.8 56.3 143.8 101 -1.3 0 0.0 0 0.0 0 0.0 11 35
105 B 120 VAL V E E B* S+ 0 0 -98.4 -48.4 -178.4 26.0 72.2 31.3 225 -2.2 183 -1.7 226 -1.4 184 -0.6 12 36
106 B 121 GLY G E E BDE - 225 182 -127.9 156.0 -180.0 -162.8 52.5 153.1 225 -2.1 225 -2.9 0 0.0 0 0.0 11 47
107 B 122 LEU L E E BDE + 224 181 -134.7 130.8 178.6 170.7 11.8 175.8 181 -1.6 181 -3.0 0 0.0 0 0.0 12 55
108 B 123 ARG R E E BD + 223 0 -139.6 135.3 -179.0 123.3 20.8 177.1 223 -1.7 223 -1.7 0 0.0 0 0.0 11 47
109 B 124 ALA A E E B* - 0 0 -175.5 172.3 177.9 -88.9 56.2 169.9 0 0.0 0 0.0 0 0.0 0 0.0 11 46
110 B 125 THR T E E BD - 220 0 -99.4 135.5 -179.0 -139.5 40.8 147.2 220 -2.5 220 -2.5 0 0.0 0 0.0 12 41
111 B 126 LEU L E E BDF - 219 172 -100.1 137.8 178.7 -165.0 12.5 142.7 172 -3.7 172 -3.6 0 0.0 0 0.0 12 55
112 B 127 VAL V E E BDF - 218 171 -123.6 119.4 -179.9 -171.2 6.7 168.1 218 -2.3 218 -1.3 0 0.0 0 0.0 12 49
113 B 128 VAL V E E BDF - 217 170 -113.6 135.0 -179.1 -172.7 2.5 158.6 170 -2.4 170 -2.6 0 0.0 0 0.0 12 57
114 B 129 LYS K E E BDF - 216 169 -129.3 140.5 179.4 -162.5 10.9 167.2 216 -2.4 216 -3.4 0 0.0 0 0.0 11 52
115 B 130 VAL V E E BDF - 215 168 -125.3 112.6 179.4 -168.3 9.6 164.6 168 -2.3 168 -0.9 0 0.0 0 0.0 12 53
116 B 131 GLN Q E E BDF - 214 167 -102.9 132.4 -179.2 -175.2 7.7 150.9 214 -2.5 214 -2.6 0 0.0 0 0.0 10 44
117 B 132 VAL V E E BD - 213 0 -126.2 153.8 179.2 -153.6 14.0 154.7 166 -2.6 0 0.0 0 0.0 0 0.0 10 47
118 B 133 ASN N E E BD + 212 0 -135.8 105.3 179.4 152.0 25.6 151.5 212 -1.9 212 -0.7 0 0.0 0 0.0 8 38
119 B 134 SER S - 0 0 -122.6 160.0 178.5 -119.6 37.6 147.0 0 0.0 0 0.0 0 0.0 0 0.0 9 38
120 B 135 GLN Q t > T - 0 0 -100.2 160.2 -178.9 -95.2 36.3 130.9 0 0.0 123 -2.0 0 0.0 0 0.0 6 29
121 B 136 PRO P T T 3 TS+ 0 0 -46.2 -24.0 -179.5 55.3 117.8 53.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
122 B 137 PHE F T T 3 TS+ 0 0 -98.5 10.6 179.6 86.5 92.6 70.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
123 B 138 GLN Q t < T - 0 0 -109.0 150.6 179.8 -159.2 59.3 143.5 120 -2.0 0 0.0 0 0.0 0 0.0 12 35
124 B 139 GLN Q E E CG + 202 0 -131.9 149.5 -179.5 114.1 27.5 163.6 202 -1.4 202 -2.2 0 0.0 0 0.0 12 42
125 B 140 GLY G E E C* - 0 0 165.5 163.2 -179.8 -124.4 43.4 150.6 0 0.0 162 -2.8 0 0.0 0 0.0 12 50
126 B 141 ARG R E E CGH - 199 161 -134.6 125.4 -178.6 -159.5 20.8 172.7 199 -1.7 199 -2.0 0 0.0 198 -1.5 13 52
127 B 142 LEU L E E CGH - 197 160 -108.9 143.0 -179.2 -152.4 5.3 147.0 160 -1.7 160 -2.1 0 0.0 0 0.0 13 61
128 B 143 MET M E E CGH - 196 159 -118.3 140.0 176.4 -160.5 8.0 155.7 196 -2.7 196 -2.5 0 0.0 130 -0.5 13 58
129 B 144 LEU L E E CGH - 195 158 -115.7 117.3 -178.5 -179.6 22.1 168.4 158 -2.9 158 -2.1 0 0.0 0 0.0 13 62
130 B 145 GLN Q E E CGH - 194 157 -118.7 154.6 -179.9 -168.6 7.3 147.6 194 -2.7 194 -2.4 128 -0.5 0 0.0 14 56
131 B 146 TYR Y E E CG - 193 0 -145.7 145.3 177.9 -171.2 9.4 176.9 156 -1.7 0 0.0 0 0.0 0 0.0 11 58
132 B 147 ILE I E E CG > T - 192 0 -138.1 122.2 179.9 -129.3 24.4 168.7 192 -2.1 192 -2.2 0 0.0 135 -1.1 11 50
133 B 148 PRO P E E CG 3 TS+ 191 0 -72.7 144.7 179.9 6.7 89.1 116.0 0 0.0 0 0.0 0 0.0 0 0.0 9 51
134 B 149 TYR Y T e > > TS+ 0 0 59.7 18.9 -179.3 150.1 79.6 50.0 190 -2.6 137 -1.9 0 0.0 138 -0.8 11 46
135 B 150 ALA A G G 4 X T + 0 0 -48.7 -38.1 -179.2 64.1 62.7 35.0 132 -1.1 138 -0.9 0 0.0 0 0.0 11 43
136 B 151 GLN Q G G 4 3 TS+ 0 0 -58.7 -31.5 -179.4 42.4 106.8 37.5 0 0.0 0 0.0 0 0.0 0 0.0 12 39
137 B 152 TYR Y G G 4 < TS+ 0 0 -92.9 -9.9 -177.4 52.5 113.5 56.7 134 -1.9 0 0.0 0 0.0 0 0.0 6 33
138 B 153 MET M h X < T + 0 0 -130.6 65.1 179.8 157.5 52.0 115.7 135 -0.9 142 -2.4 134 -0.8 0 0.0 8 27
139 B 154 PRO P H H > TS+ 0 0 -52.4 -39.4 -179.7 48.8 80.6 35.5 0 0.0 143 -1.6 0 0.0 0 0.0 8 27
140 B 155 ASN N H H > TS+ 0 0 -73.4 -40.4 178.3 47.7 110.9 26.0 0 0.0 144 -1.9 0 0.0 0 0.0 6 18
141 B 156 ARG R H H > TS+ 0 0 -64.9 -40.3 180.0 49.9 113.7 24.3 0 0.0 145 -1.6 0 0.0 0 0.0 7 23
142 B 157 VAL V H H X TS+ 0 0 -65.6 -36.5 -179.7 51.7 108.9 31.3 138 -2.4 146 -2.0 0 0.0 0 0.0 10 34
143 B 158 THR T H H X TS+ 0 0 -70.4 -37.2 178.8 54.1 105.8 29.6 139 -1.6 147 -0.5 0 0.0 0 0.0 8 30
144 B 159 LEU L H H < > TS+ 0 0 -60.8 -45.5 -178.7 45.4 112.2 21.3 140 -1.9 147 -0.8 0 0.0 0 0.0 7 19
145 B 160 ILE I H H < > TS+ 0 0 -66.3 -41.0 -178.3 51.8 110.6 27.9 141 -1.6 148 -0.9 0 0.0 0 0.0 9 31
146 B 161 ASN N H H < 3 TS+ 0 0 -80.7 2.1 177.9 83.1 87.4 63.5 142 -2.0 0 0.0 0 0.0 0 0.0 9 40
147 B 162 GLU E T h < < TS+ 0 0 -72.9 -27.2 -179.8 35.0 99.0 39.6 144 -0.8 0 0.0 143 -0.5 0 0.0 7 24
148 B 163 THR T S h > < TS- 0 0 -130.3 149.6 -179.5 -133.0 73.8 163.1 145 -0.9 152 -1.6 0 0.0 0 0.0 7 25
149 B 164 LEU L H H > TS+ 0 0 -69.1 -31.5 178.6 59.2 107.6 33.4 0 0.0 153 -2.4 0 0.0 0 0.0 8 35
150 B 165 GLN Q H H > TS+ 0 0 -64.9 -33.4 178.6 51.5 105.0 28.7 0 0.0 154 -1.0 0 0.0 0 0.0 6 28
151 B 166 GLY G H H 4 > TS+ 0 0 -66.9 -45.2 -180.0 47.0 110.4 21.0 0 0.0 154 -0.5 0 0.0 0 0.0 10 28
152 B 167 ARG R H H < > TS+ 0 0 -63.3 -40.2 -178.7 53.8 109.6 28.0 148 -1.6 155 -1.1 0 0.0 0 0.0 10 40
153 B 168 SER S H H < 3 TS+ 0 0 -68.3 -22.0 -178.8 60.7 101.7 43.4 149 -2.4 0 0.0 0 0.0 0 0.0 9 37
154 B 169 GLY G T h < < TS+ 0 0 -82.9 -11.3 178.8 80.3 90.8 56.3 150 -1.0 0 0.0 151 -0.5 0 0.0 7 27
155 B 170 CYS C S t < TS- 0 0 -83.2 179.7 178.6 -58.6 112.5 102.6 152 -1.1 0 0.0 0 0.0 0 0.0 9 35
156 B 171 PRO P S e S+ 0 0 -59.3 126.7 -178.1 150.2 87.9 119.1 0 0.0 131 -1.7 0 0.0 0 0.0 8 40
157 B 172 ARG R E E CH - 130 0 -164.6 155.5 178.4 -177.1 35.5 173.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
158 B 173 THR T E E CH - 129 0 -141.9 170.5 -179.6 -178.5 12.2 151.3 129 -2.1 129 -2.9 0 0.0 0 0.0 10 42
159 B 174 ASP D E E CH - 128 0 -166.4 164.4 -179.9 -144.6 9.2 166.9 0 0.0 0 0.0 0 0.0 0 0.0 10 49
160 B 175 LEU L E E CH - 127 0 -145.5 159.9 179.1 -120.6 16.5 166.9 127 -2.1 127 -1.7 0 0.0 0 0.0 11 36
161 B 176 GLU E E E >CH > T - 126 0 -94.8 131.3 179.8 -142.6 21.5 144.2 0 0.0 165 -2.1 0 0.0 164 -1.0 10 35
162 B 177 LEU L T e 4 3 TS+ 0 0 -65.7 -31.8 -177.9 62.9 93.3 34.0 125 -2.8 0 0.0 0 0.0 0 0.0 12 41
163 B 178 SER S T T 4 3 TS+ 0 0 -73.7 -7.5 179.0 12.6 123.8 54.1 0 0.0 0 0.0 0 0.0 0 0.0 11 28
164 B 179 VAL V T T 4 < TS+ 0 0 -140.4 -12.2 -178.1 78.0 111.9 60.7 161 -1.0 0 0.0 0 0.0 0 0.0 5 21
165 B 180 GLY G t < T + 0 0 -109.6 159.6 -179.0 175.9 35.9 134.4 161 -2.1 0 0.0 0 0.0 0 0.0 7 30
166 B 181 THR T e + 0 0 -125.3 -36.6 -179.5 13.1 66.0 48.7 0 0.0 117 -2.6 0 0.0 0 0.0 9 32
167 B 182 GLU E E E BF - 116 0 -139.3 174.2 178.6 -154.8 49.6 151.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
168 B 183 VAL V E E BF - 115 0 -149.5 141.2 -178.8 -163.0 15.3 167.8 115 -0.9 115 -2.3 0 0.0 0 0.0 11 40
169 B 184 GLU E E E BF - 114 0 -137.6 140.3 179.6 -166.1 6.4 174.3 0 0.0 0 0.0 0 0.0 0 0.0 9 39
170 B 185 MET M E E BF - 113 0 -127.4 133.2 179.9 -149.2 11.3 170.2 113 -2.6 113 -2.4 0 0.0 172 -0.6 9 42
171 B 186 ARG R E E BF - 112 0 -102.4 121.3 -176.7 -172.1 20.9 152.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
172 B 187 ILE I E E BF - 111 0 -123.2 126.2 179.8 -146.5 11.8 163.9 111 -3.6 111 -3.7 170 -0.6 0 0.0 9 43
173 B 188 PRO P - 0 0 -84.9 156.7 177.9 -112.2 25.8 118.3 0 0.0 175 -0.7 0 0.0 0 0.0 8 40
174 B 189 TYR Y + 0 0 -90.6 115.2 -179.9 171.8 43.6 144.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
175 B 190 VAL V + 0 0 -129.5 118.6 -178.7 126.3 14.6 166.3 173 -0.7 0 0.0 0 0.0 0 0.0 8 35
176 B 191 SER S - 0 0 -166.1 154.5 179.1 -109.8 69.0 170.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
177 B 192 PRO P S S S+ 0 0 -57.2 -27.2 179.2 74.8 111.3 33.7 0 0.0 179 -1.0 0 0.0 0 0.0 5 24
178 B 193 HIS H S S S- 0 0 -88.5 98.8 -178.8 -158.0 76.6 139.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
179 B 194 LEU L S S S+ 0 0 -46.9 -35.0 177.0 31.0 86.5 34.5 177 -1.0 0 0.0 0 0.0 0 0.0 7 29
180 B 195 TYR Y S S S- 0 0 -125.3 137.9 177.2 -115.1 95.0 168.5 0 0.0 0 0.0 0 0.0 0 0.0 9 36
181 B 196 TYR Y E E BE - 107 0 -68.2 128.0 -179.7 -124.9 35.3 126.8 107 -3.0 107 -1.6 0 0.0 183 -1.1 12 53
182 B 197 ASN N E E >BEA >T - 106 187 -84.0 101.7 -178.8 -165.2 21.2 132.6 187 -2.2 186 -2.6 0 0.0 187 -0.6 12 47
183 B 198 LEU L T e 4 5TS+ 0 0 -56.7 -20.5 -178.4 45.9 87.0 48.4 105 -1.7 233 -2.9 181 -1.1 0 0.0 13 51
184 B 199 ILE I T T 4 5TS+ 0 0 -96.4 -32.0 -178.7 34.0 119.5 37.5 105 -0.6 0 0.0 0 0.0 0 0.0 9 42
185 B 200 THR T T T 4 5TS- 0 0 -98.9 -19.1 -178.8 -124.8 95.7 48.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
186 B 201 GLY G T T < 5T + 0 0 80.9 16.4 179.5 148.7 59.3 46.7 182 -2.6 238 -1.8 0 0.0 0 0.0 13 48
187 B 202 GLN Q B B A T - 0 0 -86.2 75.3 -178.9 -72.6 63.7 125.0 201 -0.5 207 -1.8 0 0.0 0 0.0 13 31
204 B 219 GLN Q T T 4 TS- 0 0 66.4 -149.4 -177.3 -32.4 94.4 110.7 202 -1.9 0 0.0 0 0.0 0 0.0 8 23
205 B 220 VAL V T T 4 TS- 0 0 -75.7 -33.2 179.9 -9.3 134.6 32.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
206 B 221 SER S T T 4 TS+ 0 0 -153.2 25.0 179.1 133.2 89.1 78.2 0 0.0 0 0.0 0 0.0 0 0.0 6 16
207 B 222 GLY G t < T - 0 0 -76.0 162.9 179.8 -155.3 41.1 108.8 203 -1.8 0 0.0 0 0.0 0 0.0 8 23
208 B 223 THR T + 0 0 -124.1 20.1 -178.3 126.5 51.5 83.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
209 B 224 GLY G e - 0 0 -74.7 -178.5 -179.1 -135.8 46.2 86.5 0 0.0 74 -1.4 0 0.0 0 0.0 7 28
210 B 225 SER S E E BB - 73 0 -136.8 161.6 177.6 -150.7 4.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 9 37
211 B 226 ILE I E E BB - 72 0 -127.3 167.3 -178.5 -115.9 22.0 145.1 72 -1.9 72 -2.7 0 0.0 0 0.0 10 42
212 B 227 GLU E E E BBD - 71 118 -111.3 156.6 177.7 -176.4 21.6 139.5 118 -0.7 118 -1.9 0 0.0 0 0.0 11 43
213 B 228 TYR Y E E BBD - 70 117 -145.2 146.7 -179.9 -151.3 11.3 170.1 70 -1.9 70 -2.1 0 0.0 0 0.0 12 48
214 B 229 THR T E E BBD - 69 116 -125.8 135.7 179.0 -145.0 7.0 168.7 116 -2.6 116 -2.5 0 0.0 216 -0.6 12 40
215 B 230 VAL V E E BBD - 68 115 -101.7 116.8 179.4 -175.2 22.2 152.3 68 -3.5 67 -3.0 0 0.0 68 -1.1 12 53
216 B 231 TRP W E E BBD + 66 114 -109.0 157.7 178.4 179.1 3.7 139.6 114 -3.4 114 -2.4 214 -0.6 0 0.0 12 47
217 B 232 ALA A E E BBD + 65 113 -156.2 150.4 177.1 158.6 8.7 172.8 65 -1.5 65 -2.8 0 0.0 0 0.0 12 55
218 B 233 HIS H E E B D - 0 112 -162.3 165.2 -179.4 -112.6 32.5 163.1 112 -1.3 112 -2.3 0 0.0 0 0.0 12 52
219 B 234 LEU L E E B D - 0 111 -109.5 154.7 178.2 -164.6 21.6 141.1 61 -1.5 0 0.0 0 0.0 0 0.0 13 50
220 B 235 GLU E E E B D S+ 0 110 -132.1 158.9 -178.1 23.1 72.0 156.7 110 -2.5 110 -2.5 0 0.0 0 0.0 9 36
221 B 236 ASP D E E B * S- 0 0 50.9 41.3 -179.2 -161.3 87.8 27.0 0 0.0 0 0.0 0 0.0 0 0.0 6 29
222 B 237 VAL V E E B * + 0 0 -57.5 136.0 -179.3 177.5 19.5 104.2 0 0.0 0 0.0 0 0.0 0 0.0 12 41
223 B 238 ASP D E E B D + 0 108 -146.8 92.6 179.4 175.6 1.5 139.5 108 -1.7 108 -1.7 0 0.0 0 0.0 8 38
224 B 239 VAL V E E B D - 0 107 -99.4 140.5 -175.5 -158.0 18.4 145.5 0 0.0 0 0.0 0 0.0 0 0.0 11 43
225 B 240 GLN Q E E B D - 0 106 -136.4 149.0 175.3 -2.8 27.7 160.7 106 -2.9 105 -2.2 0 0.0 106 -2.1 8 31
226 B 241 TYR Y E E B * - 0 0 57.9 134.2 179.8 -98.4 61.2 34.6 0 0.0 105 -1.4 0 0.0 0 0.0 8 29
227 B 242 PRO P E E B D + 0 104 -77.3 151.8 176.7 160.4 40.9 110.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
228 B 243 THR T e - 0 0 -167.4 147.6 179.5 -141.6 39.7 159.7 103 -0.9 0 0.0 0 0.0 0 0.0 7 24
229 B 244 GLY G S S S+ 0 0 -91.4 -3.9 179.2 112.7 70.3 62.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
230 B 245 ALA A S S S- 0 0 -65.6 158.3 -178.8 -105.3 72.7 104.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
231 B 246 ASN N - 0 0 -92.8 145.7 -177.9 -100.6 34.1 128.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
232 B 247 ILE I - 0 0 -64.6 144.2 -178.6 -113.0 37.3 105.7 0 0.0 0 0.0 0 0.0 0 0.0 10 50
233 B 248 PHE F + 0 0 -84.0 127.9 178.8 165.2 38.2 130.8 183 -2.9 0 0.0 0 0.0 0 0.0 8 51
234 B 249 THR T - 0 0 -128.8 26.9 177.5 -102.1 52.7 90.2 0 0.0 0 0.0 0 0.0 0 0.0 14 45
235 B 250 GLY G 0 0 94.9 -165.7 179.2 999.9 999.9 114.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
236!B 251 ASN N 0 0 -134.7 999.9 999.9 999.9 999.9 59.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
237!B 252 GLU E 0 0 999.9 148.6 178.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 36
238 B 253 ALA A + 0 0 -160.0 80.3 179.4 159.9 999.9 121.4 186 -1.8 240 -0.9 0 0.0 0 0.0 9 39
239 B 254 TYR Y + 0 0 -107.6 88.5 -179.4 178.8 16.2 145.5 0 0.0 241 -0.8 0 0.0 0 0.0 11 43
240 B 255 ILE I + 0 0 -102.3 111.8 -177.5 62.5 60.2 148.1 238 -0.9 0 0.0 0 0.0 0 0.0 8 39
241 B 256 LYS K - 0 0 138.3 54.1 -178.1 -170.9 69.2 75.5 239 -0.8 0 0.0 0 0.0 0 0.0 8 40
242 B 257 GLY G - 0 0 -46.3 -20.5 -179.1 -140.4 22.1 54.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
243 B 258 THR T - 0 0 66.7 150.6 -179.8 -78.2 33.4 67.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29
244 B 259 SER S - 0 0 -66.9 14.7 179.2 -119.1 60.3 73.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
245 B 260 ARG R S g > TS+ 0 0 58.5 7.3 179.7 129.1 79.6 56.4 0 0.0 248 -0.8 0 0.0 0 0.0 10 24
246 B 261 TYR Y G G > T + 0 0 -65.7 -14.1 177.7 60.2 68.2 48.5 0 0.0 249 -0.5 0 0.0 0 0.0 6 21
247 B 262 ASP D G G 3 TS+ 0 0 -77.9 -34.4 179.2 69.2 89.4 33.5 0 0.0 0 0.0 0 0.0 0 0.0 8 29
248 B 263 ALA A G G < TS+ 0 0 -70.3 25.5 179.3 82.1 86.0 83.4 245 -0.8 0 0.0 0 0.0 0 0.0 6 27
249 B 264 ALA A g < T + 0 0 -132.4 75.3 179.7 149.0 41.9 133.5 246 -0.5 0 0.0 0 0.0 0 0.0 6 20
250 B 265 GLN Q - 0 0 -78.9 -23.6 179.0 -166.3 31.3 42.3 0 0.0 0 0.0 0 0.0 0 0.0 5 20
251 B 266 LYS K + 0 0 42.2 28.8 179.2 146.4 34.1 42.4 0 0.0 253 -1.2 0 0.0 0 0.0 6 10
252 B 267 ALA A + 0 0 -87.7 51.6 -179.0 44.5 67.3 108.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10
253 B 268 HIS H S S S+ 0 0 -150.9 -74.7 179.8 36.5 107.2 77.6 251 -1.2 0 0.0 0 0.0 0 0.0 4 7
254 B 269 ALA A 0 0 -70.7 -150.2 180.0 999.9 999.9 68.7 0 0.0 0 0.0 0 0.0 0 0.0 4 7
255 B 270 ALA A 0 0 56.2 999.9 999.9 999.9 999.9 85.2 0 0.0 0 0.0 0 0.0 0 0.0 3 6
1b35B.pdb
1B35 VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG EEEEEETTEEEEEES SSS HHHHTTTT SS HHHHTTS EEEEEEEEETT TT EEEEEEETHHHHTSHHHHHH Kabs/Sand
chirality ++--+++++---+-+--+---+-+----+--+---+----++++++-+--+--+-++++++---+--+----++--++-------+++++++-++++++ chirality
bends SS SS S SSS SSSSSSSS SS SSSSSSS SS SS SSSSSSSSSSSSSS bends
turns TTTTT TTTT TTTTTTTTTT TTTTTTTT TTTTTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33X>3<< >>3<< >33<>33< >33X33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAAAAA AAAAAA BB*BBBBBB C*CCCCC bridge-1
sheets AAAAAA AAAAAA BBBBBBBBB CCCCCCC sheets
4-turns >>44<< >>44<< >4>><4<<>>>>X<< 4-turns
summary gGGGeEEEEEETTEEEEEEe SSS hHHHHhTTTt SS hHHHHhTt EEEEEEEEEeTttTTeEEEEEEEhHHHHhhHHHHHH summary
sequence ENSHIENEDKRLTSEQKEIVHFVSEGVTPSTTALPDIVNLSTNYLDKNTREDRIHSIKDFLSRPIIIATNLWSVSDPVEKQLYTANFPEVLISNAMYQDK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HTTEEEEEEEEEEEEEEE TT EEEEEEEEEETGGG HHHHHHHHTSHHHHHTSSEEEEETTT EEEEEE SSSSEETTTTB EEEEEEEEEE Kabs/Sand
chirality +++-+-++---------+--++-+--------+++++++++++++++-++++++-+-----+++++-------++-+-+---++-++---------++-- chirality
bends SSS S SS SS SS SSSSSSSSSSSSSSSSSS SSS SSSS SSS SS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >3>X3<< >>3<< >>3<< >33< 3-turns
bridge-2 EE FFFFFF HHHHH A GGGGGGG*G* bridge-2
bridge-1 D*DDD*DDDDDDDDD G*GGGGGGGG HHHHH FFFFFF EE A CCCCCC bridge-1
sheets BBBBBBBBBBBBBBB CCCCCCCCCC CCCCC BBBBBB BB CCCCCCCCCC sheets
4-turns << >444X>>>XX<<<<>>>4<<< >444< >444< 4-turns
summary HheEEEEEEEEEEEEEEE tTTtEEEEEEEEEEeGGGhHHHHHHHHhhHHHHHhteEEEEEeTTteEEEEEE SSSSEEeTTTB eEEEEEEEEEE summary
sequence LKGFVGLRATLVVKVQVNSQPFQQGRLMLQYIPYAQYMPNRVTLINETLQGRSGCPRTDLELSVGTEVEMRIPYVSPHLYYNLITGQGSFGSIYVVVYSQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE TTT EEEEEEEEEEEEEEEEEE SS SGGG S Kabs/Sand
chirality -----+-+-------++--+-++---+-+---+- +++----+++++-+++ chirality
bends SSS SS SS S SS S bends
turns TTTTT TTTTT turns
5-turns 5-turns
3-turns >>3<< 3-turns
bridge-2 *G DDDDDDDDD**DDD*D bridge-2
bridge-1 BBBBBBBB bridge-1
sheets CC BBBBBBBBBBBBBBBBBB sheets
4-turns >444< 4-turns
summary EEtTTTt eEEEEEEEEEEEEEEEEEEeSS gGGGg S summary
sequence LHDQVSGTGSIEYTVWAHLEDVDVQYPTGANIFTGNEAYIKGTSRYDAAQKAHAA sequence
210 220 230 240 250
Messages
chain break between 236(B 251 ) and 237(B 252 )