==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 09-FEB-10 3LQE . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE NOROVIRUS 1; . AUTHOR J.R.RUBIN,J.A.STUCKEY . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 54.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 3 0 1 1 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 228 A R 0 0 195 0, 0.0 239,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -55.5 -1.3 -46.8 -15.9 2 229 A M - 0 0 88 1,-0.1 239,-0.1 237,-0.1 2,-0.0 -0.644 360.0-108.5 -75.2 133.8 1.6 -46.0 -13.5 3 230 A V - 0 0 3 -2,-0.3 2,-0.3 237,-0.2 -1,-0.1 -0.394 43.5-180.0 -63.1 137.8 1.6 -42.2 -13.0 4 231 A D - 0 0 83 285,-0.1 285,-0.1 -2,-0.0 287,-0.0 -0.839 19.7-131.2-124.4 167.8 4.4 -40.5 -14.7 5 232 A L - 0 0 10 -2,-0.3 285,-0.1 283,-0.2 225,-0.1 -0.967 31.1-100.9-116.2 152.3 5.3 -36.7 -14.9 6 233 A P - 0 0 14 0, 0.0 2,-1.9 0, 0.0 282,-0.3 -0.338 32.4-122.6 -66.8 146.1 6.2 -34.7 -18.0 7 234 A V + 0 0 109 280,-0.1 2,-0.5 2,-0.0 282,-0.1 -0.504 64.4 137.9 -93.3 76.6 10.0 -34.3 -18.3 8 235 A I - 0 0 52 -2,-1.9 280,-0.3 280,-0.1 5,-0.1 -0.962 53.1-125.8-123.3 123.5 9.7 -30.5 -18.3 9 236 A Q > - 0 0 53 -2,-0.5 3,-2.1 278,-0.1 4,-0.3 -0.470 21.2-119.7 -68.1 142.9 12.2 -28.3 -16.3 10 237 A P G > S+ 0 0 1 0, 0.0 3,-2.1 0, 0.0 12,-0.3 0.878 113.3 57.2 -47.9 -44.0 10.6 -25.8 -13.9 11 238 A R G 3 S+ 0 0 131 273,-1.9 274,-0.1 1,-0.3 -2,-0.1 0.581 105.0 53.6 -69.5 -9.2 12.3 -22.7 -15.7 12 239 A L G < S+ 0 0 120 -3,-2.1 -1,-0.3 272,-0.3 2,-0.1 0.429 96.5 97.4 -99.5 -1.7 10.5 -23.9 -18.9 13 240 A C S < S- 0 0 4 -3,-2.1 9,-2.6 -4,-0.3 2,-0.3 -0.369 72.4-117.3 -91.4 165.8 7.0 -23.9 -17.2 14 241 A T B -A 21 0A 48 7,-0.3 214,-2.0 -2,-0.1 215,-0.4 -0.783 34.2-115.9 -99.5 135.0 4.0 -21.6 -17.0 15 242 A H - 0 0 0 5,-3.0 5,-0.1 -2,-0.3 44,-0.1 -0.500 14.9-148.2 -71.1 149.5 3.0 -20.2 -13.5 16 243 A A S S+ 0 0 0 210,-0.2 44,-0.2 -2,-0.2 24,-0.1 0.434 89.1 34.6-103.0 -1.5 -0.4 -21.3 -12.2 17 244 A R S S+ 0 0 0 1,-0.4 86,-0.2 42,-0.1 -1,-0.1 0.568 122.9 31.3-127.3 -16.5 -1.4 -18.2 -10.1 18 245 A W S S- 0 0 17 2,-0.2 2,-2.0 204,-0.1 -1,-0.4 -0.990 89.7-113.4-141.1 135.7 0.0 -15.2 -12.0 19 246 A P S S+ 0 0 51 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.509 79.4 91.1 -81.0 90.0 0.3 -15.4 -15.8 20 247 A A S S- 0 0 25 -2,-2.0 -5,-3.0 -5,-0.1 -2,-0.2 -0.933 82.6 -72.5-157.9 168.6 4.1 -15.4 -16.3 21 248 A P B -A 14 0A 60 0, 0.0 2,-0.4 0, 0.0 187,-0.3 -0.325 52.0-103.3 -58.0 150.5 6.9 -18.1 -16.6 22 249 A V + 0 0 2 -9,-2.6 185,-0.2 -12,-0.3 -9,-0.1 -0.661 44.6 171.6 -67.0 135.5 8.0 -20.0 -13.5 23 250 A Y + 0 0 138 183,-2.9 2,-0.3 -2,-0.4 184,-0.2 0.577 54.9 36.5-118.8 -21.5 11.4 -18.4 -12.5 24 251 A G E -B 206 0B 12 182,-2.0 182,-3.0 -14,-0.1 2,-0.3 -0.934 48.6-164.6-144.3 156.8 12.1 -20.1 -9.1 25 252 A L E +B 205 0B 2 257,-0.5 257,-3.5 -2,-0.3 2,-0.3 -0.957 36.9 127.1-144.5 124.6 11.8 -23.3 -7.1 26 253 A L E -BC 204 281B 4 178,-1.9 178,-3.4 -2,-0.3 2,-0.3 -0.958 47.3-126.0-164.4 163.3 12.2 -23.2 -3.4 27 254 A V E - C 0 280B 0 253,-2.0 253,-2.2 -2,-0.3 176,-0.1 -0.905 22.3-175.7-113.1 160.8 11.0 -24.1 0.1 28 255 A D - 0 0 17 174,-0.5 3,-0.4 -2,-0.3 174,-0.2 -0.929 14.3-166.3-155.4 126.4 10.6 -21.5 2.9 29 256 A P S S+ 0 0 38 0, 0.0 249,-0.1 0, 0.0 4,-0.1 0.623 87.2 65.4 -93.1 -16.6 9.5 -22.4 6.5 30 257 A S S S+ 0 0 87 247,-0.3 3,-0.1 2,-0.1 248,-0.1 0.374 87.6 83.7 -83.2 0.3 8.8 -18.8 7.4 31 258 A L S S- 0 0 50 -3,-0.4 -3,-0.1 1,-0.1 0, 0.0 -0.597 104.6 -69.8 -93.1 168.8 5.9 -18.5 4.9 32 259 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.317 45.9-149.8 -58.6 134.5 2.4 -19.7 5.7 33 260 A S S S+ 0 0 64 1,-0.2 169,-0.2 -4,-0.1 -3,-0.0 0.737 85.2 38.2 -81.3 -26.5 2.6 -23.4 5.8 34 261 A N S S- 0 0 86 160,-0.0 -1,-0.2 158,-0.0 160,-0.1 -0.505 77.7-173.1-126.2 63.6 -0.9 -24.3 4.7 35 262 A P - 0 0 12 0, 0.0 158,-2.3 0, 0.0 142,-0.1 -0.177 22.3-140.9 -63.3 149.2 -1.9 -21.8 2.0 36 263 A Q + 0 0 59 156,-0.2 154,-0.2 67,-0.1 141,-0.0 0.065 33.5 173.4 -96.2 25.0 -5.5 -21.8 0.7 37 264 A W - 0 0 4 1,-0.1 67,-0.1 139,-0.1 153,-0.1 0.080 20.9-165.9 -46.4 138.4 -4.7 -21.2 -3.0 38 265 A Q S S+ 0 0 0 65,-0.2 13,-1.6 63,-0.1 14,-0.9 0.603 71.6 57.9 -99.0 -21.5 -7.8 -21.5 -5.4 39 266 A N S S+ 0 0 1 12,-0.2 3,-0.1 1,-0.2 -23,-0.1 -0.789 97.6 35.0-106.2 157.3 -5.8 -21.7 -8.7 40 267 A G S S+ 0 0 1 -2,-0.3 2,-0.6 1,-0.2 185,-0.2 0.819 85.2 137.0 68.1 33.0 -3.1 -24.3 -9.5 41 268 A R + 0 0 11 8,-0.4 8,-2.4 -3,-0.3 2,-0.3 -0.953 13.6 136.8-119.1 115.4 -5.0 -27.0 -7.6 42 269 A V B -N 48 0C 1 -2,-0.6 6,-0.2 226,-0.3 2,-0.2 -0.971 43.1-127.1-145.8 156.2 -5.5 -30.5 -9.0 43 270 A H > - 0 0 48 4,-2.3 3,-2.7 -2,-0.3 224,-0.2 -0.575 33.3-108.4 -96.2 162.1 -5.2 -34.0 -7.4 44 271 A V T 3 S+ 0 0 0 222,-2.7 195,-0.7 1,-0.3 223,-0.1 0.787 120.9 60.9 -64.0 -25.1 -3.0 -36.6 -9.0 45 272 A D T 3 S- 0 0 56 221,-0.5 -1,-0.3 193,-0.2 222,-0.1 0.534 125.4-102.2 -75.5 -9.1 -6.1 -38.4 -10.1 46 273 A G < + 0 0 15 -3,-2.7 2,-0.8 1,-0.3 -2,-0.1 0.414 69.6 148.7 104.9 -1.0 -7.1 -35.3 -12.2 47 274 A T - 0 0 64 -5,-0.0 -4,-2.3 1,-0.0 -1,-0.3 -0.566 38.0-146.2 -67.8 108.9 -9.7 -33.8 -10.0 48 275 A L B -N 42 0C 68 -2,-0.8 2,-0.2 -6,-0.2 -6,-0.2 -0.569 17.9-162.1 -68.5 141.1 -9.5 -30.0 -10.5 49 276 A L > - 0 0 29 -8,-2.4 3,-1.9 -2,-0.3 -8,-0.4 -0.779 43.6 -5.5-124.7 165.9 -10.2 -27.8 -7.4 50 277 A G T 3 S- 0 0 17 1,-0.3 -11,-0.2 -2,-0.2 -12,-0.1 -0.245 120.7 -34.5 56.8-135.7 -11.2 -24.2 -6.6 51 278 A T T 3 S+ 0 0 0 -13,-1.6 49,-2.5 50,-0.1 -1,-0.3 0.224 87.4 153.6-103.9 12.3 -11.2 -21.9 -9.6 52 279 A T < - 0 0 6 -3,-1.9 2,-0.2 -14,-0.9 -13,-0.1 -0.161 28.9-156.0 -57.5 120.2 -8.2 -23.8 -11.3 53 280 A P - 0 0 1 0, 0.0 -13,-0.2 0, 0.0 -1,-0.1 -0.619 18.7-131.2 -88.4 163.7 -8.5 -23.3 -15.2 54 281 A I S S+ 0 0 89 -2,-0.2 2,-0.4 1,-0.1 178,-0.2 0.929 89.5 66.0 -66.2 -47.4 -6.9 -25.6 -17.8 55 282 A S S > S- 0 0 46 1,-0.1 3,-1.8 177,-0.0 4,-0.2 -0.629 71.5-146.4 -86.2 134.3 -5.3 -22.8 -19.8 56 283 A G G > S+ 0 0 16 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.773 98.1 69.6 -61.1 -23.9 -2.5 -20.7 -18.3 57 284 A S G 3 S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.698 94.3 59.0 -67.2 -10.1 -3.8 -17.7 -20.3 58 285 A W G X S+ 0 0 49 -3,-1.8 3,-1.7 2,-0.1 2,-0.3 0.603 76.3 122.3 -94.0 -8.0 -6.8 -17.7 -17.9 59 286 A V T < S- 0 0 0 -3,-1.5 42,-0.1 1,-0.3 -42,-0.1 -0.383 90.5 -14.1 -72.1 119.8 -4.8 -17.3 -14.8 60 287 A S T 3 S+ 0 0 1 40,-2.2 -1,-0.3 -2,-0.3 2,-0.2 0.667 112.1 110.1 66.6 24.8 -5.7 -14.2 -12.8 61 288 A C < - 0 0 4 -3,-1.7 2,-0.3 39,-0.2 -1,-0.2 -0.602 46.3-166.7-115.6 171.2 -7.8 -12.8 -15.7 62 289 A F E -D 166 0B 2 104,-2.0 104,-3.2 -2,-0.2 2,-0.3 -0.967 12.6-140.0-150.2 164.8 -11.6 -12.4 -16.0 63 290 A A E +DE 165 83B 6 20,-0.7 20,-2.3 -2,-0.3 2,-0.3 -0.977 29.4 158.0-125.9 154.5 -14.3 -11.7 -18.5 64 291 A A E -DE 164 82B 0 100,-1.9 100,-3.0 -2,-0.3 2,-0.6 -0.971 49.0-106.7-155.6 163.9 -17.4 -9.6 -18.0 65 292 A E E -DE 163 81B 87 16,-2.2 16,-2.8 -2,-0.3 2,-0.5 -0.949 49.2-153.2 -87.8 122.4 -20.3 -7.5 -19.3 66 293 A A E -DE 162 80B 1 96,-2.9 96,-1.4 -2,-0.6 2,-0.5 -0.881 17.5-171.8-106.9 127.5 -19.1 -4.0 -18.3 67 294 A A E - E 0 79B 34 12,-2.3 12,-2.5 -2,-0.5 2,-0.4 -0.992 16.7-154.6-119.3 123.4 -21.4 -1.1 -17.6 68 295 A Y E + E 0 78B 28 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.849 18.6 167.9-104.8 129.8 -19.6 2.2 -17.1 69 296 A E E - E 0 77B 97 8,-2.4 8,-2.5 -2,-0.4 2,-0.2 -0.999 33.6-122.5-133.5 144.4 -20.8 5.3 -15.1 70 297 A F E - E 0 76B 75 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.599 24.9-164.2 -73.0 144.0 -19.1 8.5 -14.0 71 298 A Q E >> - E 0 75B 101 4,-1.1 3,-2.1 -2,-0.2 4,-1.3 -0.930 30.4-109.4-136.8 104.2 -19.3 8.9 -10.2 72 299 A S T 34 S+ 0 0 116 -2,-0.4 83,-0.1 1,-0.2 82,-0.1 0.021 99.5 10.6 -36.7 126.0 -18.5 12.4 -9.0 73 300 A G T 34 S+ 0 0 80 81,-0.2 -1,-0.2 80,-0.2 81,-0.0 0.338 124.4 59.0 85.5 -6.8 -15.1 12.5 -7.1 74 301 A T T <4 S- 0 0 69 -3,-2.1 2,-0.2 1,-0.3 79,-0.2 0.643 93.8-132.3-115.8 -33.9 -13.9 9.0 -8.0 75 302 A G E < -E 71 0B 0 -4,-1.3 -4,-1.1 77,-0.3 -1,-0.3 -0.677 63.0 -5.2 98.4-160.2 -13.8 9.0 -11.8 76 303 A E E -EF 70 151B 5 75,-1.1 75,-2.6 -2,-0.2 2,-0.5 -0.487 61.3-165.0 -73.0 128.1 -15.2 6.2 -13.9 77 304 A V E -EF 69 150B 26 -8,-2.5 -8,-2.4 73,-0.2 2,-0.4 -0.977 5.2-158.0-107.4 125.6 -16.6 3.2 -12.0 78 305 A A E -EF 68 149B 0 71,-2.2 71,-1.9 -2,-0.5 2,-0.5 -0.878 6.3-151.0 -99.6 135.5 -17.3 -0.0 -14.0 79 306 A T E -EF 67 148B 30 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.6 -0.952 16.9-156.4 -99.2 126.4 -19.7 -2.7 -12.8 80 307 A F E -EF 66 147B 0 67,-3.0 67,-2.0 -2,-0.5 2,-0.9 -0.913 10.6-161.0-113.6 114.8 -18.6 -6.1 -14.2 81 308 A T E -EF 65 146B 53 -16,-2.8 -16,-2.2 -2,-0.6 65,-0.2 -0.878 34.4-129.1 -98.8 104.0 -21.1 -8.9 -14.5 82 309 A L E +E 64 0B 6 63,-1.4 8,-0.5 -2,-0.9 -18,-0.3 -0.120 32.0 177.8 -65.1 146.8 -18.7 -11.8 -14.7 83 310 A I E -EG 63 89B 15 -20,-2.3 -20,-0.7 6,-0.2 6,-0.2 -0.812 43.7 -87.6-128.6 169.5 -18.9 -14.5 -17.5 84 311 A E > - 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