Secondary structure calculation program - copyright by David Keith Smith, 1989
1lj2A.pdb
1LJ2 VIRUS/VIRAL PROTEIN/TRANSLATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 106
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 207 HIS H 0 0 999.9 9.4 178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 9
2 A 208 SER S g > T - 0 0 -71.1 159.1 -180.0 -107.0 999.9 109.3 0 0.0 5 -1.3 0 0.0 0 0.0 5 9
3 A 209 LEU L G G > TS+ 0 0 -53.4 -41.7 -179.6 57.9 121.5 25.5 0 0.0 6 -1.8 0 0.0 0 0.0 6 10
4 A 210 GLN Q G G > TS+ 0 0 -61.0 -28.5 -179.4 61.8 96.4 39.3 0 0.0 7 -0.8 0 0.0 0 0.0 7 11
5 A 211 ASN N G h > < TS+ 0 0 -77.0 -6.0 179.0 73.8 87.1 57.1 2 -1.3 9 -1.0 0 0.0 0 0.0 8 12
6 A 212 VAL V H H > < TS+ 0 0 -72.7 -30.8 -179.0 60.5 90.4 33.2 3 -1.8 10 -1.8 0 0.0 0 0.0 9 13
7 A 213 ILE I H H > < TS+ 0 0 -63.2 -49.6 179.5 47.8 101.5 22.3 4 -0.8 11 -2.4 0 0.0 0 0.0 8 14
8 A 214 PRO P H H > TS+ 0 0 -62.8 -30.5 179.7 54.2 110.9 32.5 0 0.0 12 -1.9 0 0.0 0 0.0 8 15
9 A 215 GLN Q H H X TS+ 0 0 -70.3 -39.4 179.5 46.1 109.4 26.7 5 -1.0 13 -1.6 0 0.0 0 0.0 8 16
10 A 216 GLN Q H H X > TS+ 0 0 -67.1 -52.2 -179.4 52.9 109.7 13.5 6 -1.8 14 -3.0 0 0.0 13 -0.5 8 17
11 A 217 GLN Q H H X 3 TS+ 0 0 -48.6 -46.1 179.5 52.0 108.5 23.5 7 -2.4 15 -2.8 0 0.0 0 0.0 8 16
12 A 218 ALA A H H X 3 TS+ 0 0 -58.2 -38.8 179.9 47.5 111.1 27.2 8 -1.9 16 -1.6 0 0.0 0 0.0 8 16
13 A 219 HIS H H H X < TS+ 0 0 -70.7 -36.7 179.5 53.2 109.6 28.6 9 -1.6 17 -2.1 10 -0.5 0 0.0 8 16
14 A 220 ILE I H H X TS+ 0 0 -61.4 -51.6 179.9 50.8 107.5 14.6 10 -3.0 18 -1.7 0 0.0 0 0.0 8 16
15 A 221 ALA A H H X TS+ 0 0 -52.9 -42.8 179.6 54.2 108.1 28.4 11 -2.8 19 -3.2 0 0.0 0 0.0 8 17
16 A 222 GLU E H H X TS+ 0 0 -57.2 -61.7 179.7 46.6 107.9 9.7 12 -1.6 20 -2.9 0 0.0 0 0.0 8 16
17 A 223 LEU L H H X TS+ 0 0 -52.2 -26.7 -179.9 50.7 115.2 37.8 13 -2.1 21 -1.1 0 0.0 0 0.0 8 16
18 A 224 GLN Q H H X TS+ 0 0 -78.6 -44.2 179.0 41.4 113.7 23.0 14 -1.7 22 -2.1 0 0.0 0 0.0 8 16
19 A 225 VAL V H H X TS+ 0 0 -64.4 -57.3 179.5 49.1 116.0 10.6 15 -3.2 23 -3.4 0 0.0 0 0.0 8 16
20 A 226 TYR Y H H X TS+ 0 0 -48.0 -41.7 -179.4 49.1 113.6 28.2 16 -2.9 24 -2.6 0 0.0 0 0.0 8 16
21 A 227 ASN N H H X TS+ 0 0 -69.4 -36.2 179.0 45.9 112.5 29.2 17 -1.1 25 -1.2 0 0.0 0 0.0 8 17
22 A 228 ASN N H H X TS+ 0 0 -74.3 -33.1 179.3 50.9 113.6 32.0 18 -2.1 26 -1.6 0 0.0 0 0.0 8 19
23 A 229 LYS K H H X TS+ 0 0 -67.4 -50.6 179.9 58.2 102.4 18.2 19 -3.4 27 -2.9 0 0.0 0 0.0 8 19
24 A 230 LEU L H H X TS+ 0 0 -45.5 -47.3 179.9 44.2 110.8 26.6 20 -2.6 28 -1.6 0 0.0 0 0.0 8 21
25 A 231 GLU E H H X TS+ 0 0 -68.1 -37.6 -179.3 53.4 111.2 30.8 21 -1.2 29 -2.3 0 0.0 0 0.0 8 25
26 A 232 ARG R H H X TS+ 0 0 -65.3 -44.4 -179.9 48.5 108.8 22.4 22 -1.6 30 -2.4 0 0.0 0 0.0 8 23
27 A 233 ASP D H H X TS+ 0 0 -64.3 -36.9 179.7 51.5 110.8 29.1 23 -2.9 31 -2.3 0 0.0 0 0.0 8 23
28 A 234 LEU L H H X TS+ 0 0 -65.6 -45.4 -179.9 48.0 110.7 19.7 24 -1.6 32 -2.7 0 0.0 0 0.0 9 27
29 A 235 GLN Q H H X TS+ 0 0 -62.9 -38.9 -180.0 46.5 114.0 27.5 25 -2.3 33 -2.3 0 0.0 0 0.0 12 30
30 A 236 ASN N H H X TS+ 0 0 -72.3 -33.4 179.5 52.6 111.1 29.9 26 -2.4 34 -2.7 0 0.0 0 0.0 8 26
31 A 237 LYS K H H X TS+ 0 0 -64.5 -50.4 179.3 47.6 110.2 16.6 27 -2.3 35 -2.8 0 0.0 0 0.0 8 29
32 A 238 ILE I H H X TS+ 0 0 -53.7 -55.2 -179.3 46.3 114.8 15.2 28 -2.7 36 -1.8 0 0.0 0 0.0 11 35
33 A 239 GLY G H H X TS+ 0 0 -56.3 -41.2 -179.4 50.0 113.1 27.5 29 -2.3 37 -2.1 0 0.0 0 0.0 9 33
34 A 240 SER S H H X TS+ 0 0 -67.8 -39.7 -179.3 44.5 112.5 27.3 30 -2.7 38 -2.6 0 0.0 0 0.0 8 26
35 A 241 LEU L H H X TS+ 0 0 -77.7 -18.2 178.7 56.9 110.8 43.9 31 -2.8 39 -2.1 0 0.0 0 0.0 8 32
36 A 242 THR T H H X TS+ 0 0 -73.7 -48.3 179.0 38.9 113.0 20.8 32 -1.8 40 -2.0 0 0.0 0 0.0 11 40
37 A 243 SER S H H X TS+ 0 0 -65.5 -47.6 -179.7 55.1 114.9 20.1 33 -2.1 41 -1.9 0 0.0 0 0.0 9 29
38 A 244 SER S H H X > TS+ 0 0 -50.5 -56.9 179.5 45.2 109.7 18.8 34 -2.6 42 -1.8 0 0.0 41 -0.6 8 23
39 A 245 ILE I H H X 3 TS+ 0 0 -56.0 -45.3 -179.4 57.3 108.2 26.0 35 -2.1 43 -2.8 0 0.0 0 0.0 8 30
40 A 246 GLU E H H X 3 TS+ 0 0 -57.7 -33.7 178.8 45.3 109.5 32.0 36 -2.0 44 -1.0 0 0.0 0 0.0 10 32
41 A 247 TRP W H H X < TS+ 0 0 -78.6 -30.9 178.8 52.6 111.2 34.5 37 -1.9 45 -0.7 38 -0.6 0 0.0 8 24
42 A 248 TYR Y H H < > TS+ 0 0 -67.6 -41.1 -179.6 54.1 106.9 24.4 38 -1.8 45 -0.9 0 0.0 0 0.0 8 22
43 A 249 LEU L H H < > TS+ 0 0 -61.3 -34.0 -179.6 56.5 103.0 35.1 39 -2.8 46 -1.2 0 0.0 0 0.0 8 29
44 A 250 ARG R H H < 3 TS+ 0 0 -72.6 -21.2 -179.4 62.8 97.3 43.5 40 -1.0 0 0.0 0 0.0 0 0.0 8 24
45 A 251 SER S T h < < TS+ 0 0 -83.4 1.8 179.9 92.6 89.8 63.4 42 -0.9 0 0.0 41 -0.7 0 0.0 6 18
46 A 252 MET M S t < TS- 0 0 -90.7 166.0 179.5 -126.4 80.9 117.4 43 -1.2 0 0.0 0 0.0 0 0.0 6 19
47 A 253 GLU E + 0 0 -90.8 -0.6 179.7 134.2 63.4 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 15
48 A 254 LEU L - 0 0 -50.9 141.8 178.9 -92.3 68.8 98.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
49 A 255 ASP D h > T - 0 0 -52.0 154.9 179.9 -108.5 37.7 96.7 0 0.0 53 -1.9 0 0.0 0 0.0 6 15
50 A 256 PRO P H H > TS+ 0 0 -58.0 -32.5 179.8 55.6 118.4 35.7 0 0.0 54 -2.6 0 0.0 0 0.0 6 18
51 A 257 GLU E H H > TS+ 0 0 -68.2 -45.6 179.4 48.9 106.1 22.1 0 0.0 55 -3.0 0 0.0 0 0.0 6 17
52 A 258 ILE I H H > TS+ 0 0 -60.1 -43.6 179.7 43.7 116.1 23.6 0 0.0 56 -1.9 0 0.0 0 0.0 8 28
53 A 259 LYS K H H X TS+ 0 0 -68.0 -42.8 179.8 50.7 113.2 26.3 49 -1.9 57 -3.1 0 0.0 0 0.0 11 30
54 A 260 ALA A H H X TS+ 0 0 -60.1 -43.6 -179.8 50.0 111.4 20.6 50 -2.6 58 -2.2 0 0.0 0 0.0 8 25
55 A 261 ASP D H H X TS+ 0 0 -63.1 -38.2 -179.8 45.1 113.2 29.8 51 -3.0 59 -1.0 0 0.0 0 0.0 8 27
56 A 262 ILE I H H X TS+ 0 0 -74.8 -41.4 179.6 51.8 110.8 21.9 52 -1.9 60 -2.0 0 0.0 0 0.0 8 40
57 A 263 GLU E H H X TS+ 0 0 -59.3 -40.8 179.8 59.2 104.0 25.1 53 -3.1 61 -2.9 0 0.0 0 0.0 9 36
58 A 264 GLN Q H H < TS+ 0 0 -54.7 -39.8 -179.7 43.2 109.7 28.6 54 -2.2 0 0.0 0 0.0 0 0.0 8 28
59 A 265 GLN Q H H < TS+ 0 0 -76.9 -32.1 180.0 51.0 114.8 34.6 55 -1.0 0 0.0 0 0.0 0 0.0 9 38
60 A 266 ILE I H H < > TS+ 0 0 -71.8 -54.6 -179.1 45.4 108.4 16.3 56 -2.0 63 -2.3 0 0.0 0 0.0 10 40
61 A 267 ASN N T h < 3 TS+ 0 0 -73.4 13.3 179.3 72.7 103.5 67.9 57 -2.9 0 0.0 0 0.0 0 0.0 8 39
62 A 268 SER S T T 3 TS+ 0 0 -98.2 -12.4 179.9 116.1 71.1 56.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
63 A 269 ILE I S t < TS- 0 0 -60.3 140.2 -179.6 -105.1 78.8 105.8 60 -2.3 0 0.0 0 0.0 0 0.0 11 39
64 A 270 ASP D - 0 0 -70.4 118.5 -178.9 -174.1 33.6 123.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33
65 A 271 ALA A S S S+ 0 0 -91.8 -9.0 -179.7 49.4 76.5 55.9 0 0.0 0 0.0 0 0.0 0 0.0 9 30
66 A 272 ILE I S S S+ 0 0 -92.8 -60.7 -178.6 46.6 105.4 23.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
67 A 273 ASN N h > > T - 0 0 -92.1 112.7 -180.0 -160.0 64.4 141.3 0 0.0 71 -2.0 0 0.0 70 -0.6 8 25
68 A 274 PRO P H H > 3 TS+ 0 0 -58.1 -37.3 179.7 59.1 90.0 32.6 0 0.0 72 -2.9 0 0.0 0 0.0 11 30
69 A 275 LEU L H H > 3 TS+ 0 0 -62.2 -35.1 179.3 41.5 111.6 29.4 0 0.0 73 -1.3 0 0.0 0 0.0 6 24
70 A 276 HIS H H H > < TS+ 0 0 -80.6 -31.3 178.4 58.2 109.5 34.9 67 -0.6 74 -2.1 0 0.0 0 0.0 9 26
71 A 277 ALA A H H X TS+ 0 0 -60.5 -46.1 179.6 51.9 105.3 18.5 67 -2.0 75 -2.5 0 0.0 0 0.0 13 33
72 A 278 PHE F H H X TS+ 0 0 -55.8 -44.7 -179.7 49.2 109.3 25.1 68 -2.9 76 -2.2 0 0.0 0 0.0 8 30
73 A 279 ASP D H H X TS+ 0 0 -66.2 -34.4 178.8 48.8 110.7 33.8 69 -1.3 77 -1.8 0 0.0 0 0.0 8 24
74 A 280 ASP D H H X TS+ 0 0 -73.0 -35.8 178.3 54.6 108.8 28.9 70 -2.1 78 -2.9 0 0.0 0 0.0 11 31
75 A 281 LEU L H H X TS+ 0 0 -60.4 -44.4 179.4 48.4 108.7 20.1 71 -2.5 79 -2.9 0 0.0 0 0.0 9 39
76 A 282 GLU E H H X TS+ 0 0 -61.0 -40.8 180.0 50.8 111.2 26.5 72 -2.2 80 -2.8 0 0.0 0 0.0 8 25
77 A 283 SER S H H X TS+ 0 0 -64.1 -44.2 178.3 48.8 109.7 25.1 73 -1.8 81 -2.2 0 0.0 0 0.0 8 27
78 A 284 VAL V H H X TS+ 0 0 -59.3 -49.4 179.9 48.1 113.9 15.8 74 -2.9 82 -2.1 0 0.0 0 0.0 10 35
79 A 285 ILE I H H X TS+ 0 0 -58.8 -40.7 179.4 51.9 109.6 29.4 75 -2.9 83 -2.4 0 0.0 0 0.0 8 29
80 A 286 ARG R H H X TS+ 0 0 -64.8 -40.6 180.0 48.3 110.4 26.3 76 -2.8 84 -2.5 0 0.0 0 0.0 8 20
81 A 287 ASN N H H X TS+ 0 0 -69.3 -34.5 178.8 51.2 110.4 30.3 77 -2.2 85 -2.3 0 0.0 0 0.0 8 27
82 A 288 LEU L H H X TS+ 0 0 -67.4 -43.0 179.1 47.8 111.7 20.4 78 -2.1 86 -2.7 0 0.0 0 0.0 8 28
83 A 289 ILE I H H X TS+ 0 0 -61.0 -47.2 179.3 48.9 112.3 19.4 79 -2.4 87 -2.9 0 0.0 0 0.0 8 19
84 A 290 SER S H H X TS+ 0 0 -60.2 -41.5 179.6 46.5 113.3 27.2 80 -2.5 88 -2.2 0 0.0 0 0.0 8 19
85 A 291 ASP D H H X TS+ 0 0 -69.1 -39.4 178.8 50.3 112.2 26.8 81 -2.3 89 -2.7 0 0.0 0 0.0 8 23
86 A 292 TYR Y H H X TS+ 0 0 -62.3 -44.2 179.5 50.8 110.5 21.2 82 -2.7 90 -2.7 0 0.0 0 0.0 8 20
87 A 293 ASP D H H X TS+ 0 0 -59.2 -45.5 179.6 46.7 112.0 24.3 83 -2.9 91 -1.8 0 0.0 0 0.0 8 16
88 A 294 LYS K H H X TS+ 0 0 -65.2 -43.3 -179.8 46.2 114.1 24.7 84 -2.2 92 -1.6 0 0.0 0 0.0 8 17
89 A 295 LEU L H H X TS+ 0 0 -67.7 -37.7 179.1 54.7 109.9 27.6 85 -2.7 93 -2.4 0 0.0 0 0.0 8 20
90 A 296 PHE F H H X TS+ 0 0 -61.8 -39.2 179.3 50.0 107.9 26.5 86 -2.7 94 -2.1 0 0.0 0 0.0 8 21
91 A 297 LEU L H H X TS+ 0 0 -67.8 -35.4 178.5 48.1 110.6 32.9 87 -1.8 95 -1.7 0 0.0 0 0.0 8 19
92 A 298 MET M H H X TS+ 0 0 -70.7 -34.2 179.6 55.7 110.4 29.7 88 -1.6 96 -2.0 0 0.0 0 0.0 8 19
93 A 299 PHE F H H X TS+ 0 0 -63.1 -45.0 179.9 44.3 108.1 26.6 89 -2.4 97 -1.8 0 0.0 0 0.0 8 21
94 A 300 LYS K H H X TS+ 0 0 -69.5 -33.3 -179.6 55.3 112.2 32.1 90 -2.1 98 -1.7 0 0.0 0 0.0 9 20
95 A 301 GLY G H H < TS+ 0 0 -67.0 -38.9 179.9 42.3 110.7 29.9 91 -1.7 0 0.0 0 0.0 0 0.0 8 17
96 A 302 LEU L H H X > TS+ 0 0 -75.2 -35.9 179.4 57.3 110.6 32.2 92 -2.0 100 -1.7 0 0.0 99 -0.9 8 16
97 A 303 ILE I H H < 3>TS+ 0 0 -60.2 -37.8 -178.6 51.9 105.7 29.7 93 -1.8 102 -3.1 0 0.0 0 0.0 11 16
98 A 304 GLN Q T h < 35TS+ 0 0 -77.5 -12.3 178.9 47.6 110.0 54.6 94 -1.7 0 0.0 0 0.0 0 0.0 9 15
99 A 305 ARG R T T 4 <5TS+ 0 0 -98.9 -24.6 178.9 50.0 109.9 46.2 96 -0.9 0 0.0 0 0.0 0 0.0 7 13
100 A 306 SER S T T < 5TS- 0 0 -91.2 6.6 -178.5 -122.4 113.7 72.0 96 -1.7 0 0.0 0 0.0 0 0.0 6 12
101 A 307 ASN N T T 5TS+ 0 0 49.9 48.0 178.5 128.2 70.0 25.5 0 0.0 0 0.0 0 0.0 0 0.0 6 12
102 A 308 TYR Y t 555 5-turns
3-turns >>><<< >33< >33<>>3<< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXXXXX