==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 20-DEC-07 3BQJ . COMPND 2 MOLECULE: VA387 POLYPEPTIDE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOROVIRUS ISOLATES; . AUTHOR W.BU,A.MAMEDOVA,M.TAN,J.JIANG,R.HEGDE . 297 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 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 . 8 2 1 2 1 0 1 2 1 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 1 1 0 0 0 1 0 0 0 0 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 1 225 A A 0 0 88 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 101.9 33.1 -1.5 6.2 2 226 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 235,-0.1 -0.346 360.0-109.5 -68.5 147.4 32.9 2.1 6.8 3 227 A F + 0 0 6 234,-0.1 2,-0.3 233,-0.1 42,-0.1 -0.686 47.4 170.2 -77.4 139.7 29.9 3.2 8.5 4 228 A T - 0 0 47 -2,-0.4 233,-0.1 283,-0.1 283,-0.1 -0.947 30.0-142.8-145.7 162.6 27.4 5.1 6.4 5 229 A G - 0 0 12 -2,-0.3 283,-0.1 281,-0.1 2,-0.1 -0.860 44.2 -94.1-119.2 154.5 24.0 6.6 6.3 6 230 A P - 0 0 13 0, 0.0 2,-1.4 0, 0.0 280,-0.4 -0.393 28.3-123.6 -70.6 151.2 21.9 6.5 3.1 7 231 A I + 0 0 105 278,-0.1 2,-0.3 -2,-0.1 280,-0.1 -0.731 66.8 126.4 -92.1 86.3 22.0 9.6 0.9 8 232 A L - 0 0 50 -2,-1.4 278,-0.6 278,-0.2 2,-0.1 -0.994 57.8-126.3-147.7 139.7 18.3 10.2 0.9 9 233 A T B > -A 285 0A 14 -2,-0.3 3,-1.2 276,-0.2 4,-0.2 -0.470 36.6-108.2 -77.3 156.9 16.1 13.1 1.7 10 234 A V G > S+ 0 0 5 274,-0.6 3,-1.2 1,-0.3 12,-0.6 0.872 124.0 52.1 -52.6 -37.5 13.3 12.5 4.2 11 235 A E G 3 S+ 0 0 122 271,-0.3 -1,-0.3 1,-0.3 11,-0.1 0.743 103.2 56.8 -73.0 -24.5 10.9 12.7 1.3 12 236 A E G < S+ 0 0 113 -3,-1.2 -1,-0.3 9,-0.1 2,-0.2 0.311 103.7 74.0 -87.1 6.1 12.8 10.1 -0.7 13 237 A M S < S- 0 0 3 -3,-1.2 9,-2.1 -4,-0.2 2,-0.3 -0.664 74.2-128.7-114.8 174.8 12.4 7.7 2.3 14 238 A S B -I 21 0B 26 7,-0.3 212,-2.5 -2,-0.2 213,-0.3 -0.926 24.6-104.9-126.7 148.7 9.6 5.7 3.7 15 239 A N - 0 0 0 5,-3.7 5,-0.4 -2,-0.3 3,-0.2 -0.453 21.5-148.9 -69.0 138.6 8.0 5.3 7.2 16 240 A S S S+ 0 0 0 208,-0.5 -1,-0.1 1,-0.2 25,-0.1 0.416 91.5 50.7 -90.7 3.4 9.0 2.1 8.9 17 241 A R S S+ 0 0 1 1,-0.4 83,-0.3 3,-0.1 -1,-0.2 0.523 120.5 19.5-118.0 -7.0 5.8 1.7 10.8 18 242 A F S S- 0 0 2 2,-0.2 2,-1.7 -3,-0.2 -1,-0.4 -0.901 91.0-103.7-158.5 129.3 3.1 2.2 8.2 19 243 A P S S+ 0 0 36 0, 0.0 -3,-0.1 0, 0.0 38,-0.1 -0.365 82.5 102.3 -62.0 85.7 3.8 1.8 4.4 20 244 A I S S- 0 0 26 -2,-1.7 -5,-3.7 -5,-0.4 -2,-0.2 -0.972 76.1 -92.0-159.9 151.7 3.9 5.5 3.4 21 245 A P B -I 14 0B 79 0, 0.0 -7,-0.3 0, 0.0 187,-0.3 -0.225 46.4-101.8 -66.0 163.1 6.7 7.9 2.6 22 246 A L - 0 0 5 -9,-2.1 185,-0.3 -12,-0.6 -9,-0.1 -0.461 31.4-172.1 -78.1 161.2 8.2 10.1 5.3 23 247 A E - 0 0 74 183,-3.2 2,-0.3 1,-0.4 184,-0.2 0.624 53.2 -31.4-124.8 -33.6 7.0 13.7 5.4 24 248 A K E -B 206 0A 62 182,-1.4 182,-2.2 -14,-0.1 -1,-0.4 -0.971 56.2 -89.2-170.1-176.9 9.2 15.5 8.0 25 249 A L E +B 205 0A 0 253,-0.3 253,-1.3 -2,-0.3 2,-0.3 -0.864 32.4 173.1-115.4 147.5 11.2 15.6 11.2 26 250 A Y E -BC 204 277A 52 178,-0.9 178,-2.2 -2,-0.3 2,-0.4 -0.927 12.3-162.3-157.0 128.1 10.1 16.3 14.8 27 251 A T E +B 203 0A 0 249,-1.1 249,-0.4 -2,-0.3 176,-0.2 -0.890 30.3 132.2-111.7 141.2 11.8 16.1 18.1 28 252 A G E B 202 0A 6 174,-1.2 174,-1.0 -2,-0.4 -2,-0.0 -0.996 360.0 360.0-172.7 177.8 10.0 16.0 21.4 29 253 A P 0 0 88 0, 0.0 172,-0.1 0, 0.0 244,-0.0 -0.284 360.0 360.0 -67.0 360.0 9.1 14.8 25.0 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 255 A G 0 0 92 0, 0.0 2,-0.1 0, 0.0 170,-0.0 0.000 360.0 360.0 360.0 -73.7 9.0 12.0 28.7 32 256 A A + 0 0 102 2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.323 360.0 116.9-105.5 46.4 5.7 10.5 29.7 33 257 A F - 0 0 128 -2,-0.1 2,-1.7 2,-0.1 0, 0.0 -0.960 64.6-142.1-128.9 133.9 5.6 7.9 26.9 34 258 A V - 0 0 95 -2,-0.4 2,-0.8 140,-0.1 142,-0.2 -0.707 40.0-177.4 -82.1 88.1 5.7 4.2 26.6 35 259 A V + 0 0 10 -2,-1.7 158,-3.1 158,-0.3 139,-0.1 -0.812 30.2 120.1-100.7 99.4 8.0 4.4 23.5 36 260 A Q - 0 0 42 -2,-0.8 154,-0.2 156,-0.2 156,-0.1 -0.440 33.9-174.2-157.6 74.4 8.8 1.1 21.9 37 261 A P - 0 0 2 0, 0.0 64,-0.1 0, 0.0 153,-0.1 -0.432 15.5-150.7 -66.8 146.1 7.6 0.7 18.3 38 262 A Q S S+ 0 0 0 60,-0.1 13,-1.5 62,-0.1 14,-0.7 0.775 75.6 60.3 -94.6 -28.1 8.3 -2.8 17.2 39 263 A N S S+ 0 0 1 1,-0.2 -23,-0.1 12,-0.2 3,-0.1 -0.692 94.9 41.7 -96.8 152.5 8.8 -2.1 13.4 40 264 A G S S+ 0 0 0 1,-0.3 2,-0.4 -2,-0.3 183,-0.3 0.907 82.3 133.5 77.6 41.6 11.6 0.1 12.3 41 265 A R + 0 0 9 8,-0.4 8,-2.1 -3,-0.3 -1,-0.3 -0.987 16.7 135.9-129.0 117.6 14.0 -1.4 14.8 42 266 A C B -J 48 0C 0 -2,-0.4 6,-0.3 6,-0.3 2,-0.1 -0.894 50.7-115.0-163.9 129.9 17.5 -2.4 13.7 43 267 A T > - 0 0 23 4,-2.7 3,-3.4 -2,-0.3 4,-0.4 -0.408 34.2-112.3 -68.0 146.7 21.0 -1.9 15.2 44 268 A T T 3 S+ 0 0 0 220,-2.5 193,-0.4 1,-0.3 -1,-0.1 0.686 118.4 60.3 -52.6 -18.8 23.3 0.3 13.2 45 269 A D T 3 S- 0 0 45 219,-0.3 -1,-0.3 191,-0.2 -2,-0.1 0.323 127.8 -93.4 -93.7 7.2 25.4 -2.8 12.6 46 270 A G S < S+ 0 0 12 -3,-3.4 2,-0.8 1,-0.2 -2,-0.2 0.678 76.0 138.9 97.0 15.4 22.6 -4.5 10.8 47 271 A V - 0 0 80 -4,-0.4 -4,-2.7 0, 0.0 -1,-0.2 -0.853 41.0-149.2-100.2 108.4 20.8 -6.6 13.4 48 272 A L B +J 42 0C 49 -2,-0.8 -6,-0.3 -6,-0.3 2,-0.2 -0.507 23.7 174.8 -70.4 135.7 17.0 -6.3 12.9 49 273 A L > + 0 0 40 -8,-2.1 3,-1.7 -2,-0.2 -8,-0.4 -0.752 40.5 30.3-133.9-175.6 15.0 -6.6 16.0 50 274 A G T 3 S- 0 0 9 138,-0.4 -11,-0.2 1,-0.2 44,-0.1 -0.444 122.7 -44.9 65.4-137.9 11.4 -6.4 17.2 51 275 A T T 3 S+ 0 0 0 -13,-1.5 46,-2.6 47,-0.1 -1,-0.2 0.094 97.1 141.6-112.3 17.7 9.0 -7.4 14.4 52 276 A T < + 0 0 4 -3,-1.7 2,-0.3 -14,-0.7 44,-0.1 -0.404 23.1 173.5 -66.1 130.0 11.0 -5.4 11.9 53 277 A Q - 0 0 24 2,-0.2 -13,-0.2 -2,-0.2 -12,-0.1 -0.805 39.9-104.8-128.3 172.3 11.5 -6.8 8.4 54 278 A L S S+ 0 0 53 -2,-0.3 2,-0.4 176,-0.1 176,-0.1 0.718 87.1 84.4 -76.8 -24.9 13.0 -5.3 5.2 55 279 A S - 0 0 40 1,-0.1 -2,-0.2 2,-0.0 4,-0.2 -0.671 51.9-164.6 -88.2 135.2 10.1 -4.5 3.0 56 280 A A S > S+ 0 0 17 -2,-0.4 3,-0.8 1,-0.2 -1,-0.1 0.777 91.5 60.3 -80.4 -29.9 8.2 -1.2 3.4 57 281 A V T 3 S+ 0 0 105 1,-0.2 -1,-0.2 -38,-0.1 -2,-0.0 0.703 101.9 53.2 -72.8 -17.7 5.3 -2.5 1.4 58 282 A N T > S+ 0 0 19 -3,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.494 75.6 116.6 -96.6 -2.4 4.7 -5.4 3.8 59 283 A I T < S+ 0 0 0 -3,-0.8 39,-0.2 1,-0.3 3,-0.1 -0.472 90.4 4.4 -65.3 131.5 4.4 -3.3 7.0 60 284 A C T 3 S+ 0 0 1 37,-3.0 2,-0.3 1,-0.2 -1,-0.3 0.718 100.2 128.8 67.2 21.6 0.9 -3.8 8.3 61 285 A T < - 0 0 18 -3,-1.6 2,-0.4 96,-0.1 -1,-0.2 -0.756 39.7-159.5-105.3 158.7 -0.3 -6.3 5.8 62 286 A F E -K 156 0D 10 94,-1.6 94,-2.5 -2,-0.3 2,-0.3 -1.000 8.3-178.0-139.5 137.8 -1.9 -9.7 6.5 63 287 A R E +K 155 0D 25 16,-0.4 16,-3.0 -2,-0.4 2,-0.2 -0.952 34.5 85.2-131.3 151.7 -2.2 -12.8 4.4 64 288 A G E S-K 154 0D 2 90,-1.6 90,-0.5 -2,-0.3 2,-0.3 -0.721 73.4 -55.0 168.2-114.3 -3.9 -16.1 5.1 65 289 A D E -K 153 0D 45 12,-0.3 12,-2.8 88,-0.2 2,-0.4 -0.945 42.3-138.3-160.8 153.4 -7.4 -17.5 4.8 66 290 A V E -O 76 0E 0 86,-0.5 2,-0.5 83,-0.3 85,-0.3 -0.954 9.8-165.7-130.0 149.0 -10.7 -16.3 6.1 67 291 A T E -O 75 0E 51 8,-2.4 8,-1.8 -2,-0.4 2,-0.4 -0.977 24.5-138.1-128.0 113.6 -13.7 -18.0 7.7 68 292 A G - 0 0 36 -2,-0.5 6,-0.2 80,-0.3 2,-0.2 -0.579 10.3-131.5 -78.6 128.2 -16.7 -15.8 7.9 69 293 A V - 0 0 79 4,-0.5 -1,-0.0 -2,-0.4 2,-0.0 -0.544 43.6 -92.9 -72.2 143.1 -18.8 -15.9 11.0 70 294 A A 0 0 91 -2,-0.2 -1,-0.1 1,-0.2 4,-0.0 -0.296 360.0 360.0 -61.8 141.3 -22.5 -16.3 10.0 71 295 A G 0 0 129 -3,-0.1 -1,-0.2 -2,-0.0 0, 0.0 0.817 360.0 360.0 26.5 360.0 -24.7 -13.2 9.5 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 298 A D 0 0 100 0, 0.0 -4,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 176.5 -16.8 -9.6 10.7 74 299 A Y E - P 0 142E 33 68,-1.6 68,-2.0 -6,-0.2 2,-0.4 -0.956 360.0-130.2-159.6 152.1 -14.5 -12.4 9.5 75 300 A I E -OP 67 141E 57 -8,-1.8 -8,-2.4 -2,-0.3 2,-0.5 -0.922 15.5-148.3-115.0 141.2 -11.5 -14.1 10.9 76 301 A M E -OP 66 140E 0 64,-4.0 64,-1.7 -2,-0.4 2,-0.9 -0.915 7.4-143.5-112.1 129.6 -8.2 -14.7 9.1 77 302 A N E - P 0 139E 79 -12,-2.8 -12,-0.3 -2,-0.5 62,-0.2 -0.811 37.1-117.4 -89.8 108.9 -6.0 -17.6 9.7 78 303 A L - 0 0 19 60,-2.3 8,-0.5 -2,-0.9 -14,-0.3 -0.167 32.2-169.7 -55.9 132.8 -2.5 -16.2 9.4 79 304 A A B -R 85 0F 20 -16,-3.0 -16,-0.4 6,-0.1 6,-0.2 -0.667 36.5 -84.4-112.6 167.6 -0.2 -17.3 6.6 80 305 A S > - 0 0 29 4,-3.0 3,-4.0 -2,-0.2 6,-0.1 -0.433 45.7-105.5 -71.8 152.8 3.5 -16.6 6.2 81 306 A Q T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.2 -17,-0.1 0.837 128.9 51.9 -47.7 -29.9 4.2 -13.3 4.5 82 307 A N T 3 S- 0 0 88 3,-0.1 -1,-0.3 -19,-0.1 -2,-0.1 0.094 128.9-100.8 -95.5 23.7 5.0 -15.6 1.6 83 308 A W S < S+ 0 0 99 -3,-4.0 -2,-0.2 1,-0.2 3,-0.1 0.467 86.8 124.1 74.0 1.5 1.7 -17.4 1.8 84 309 A N S S- 0 0 105 1,-0.2 -4,-3.0 -5,-0.1 2,-0.2 0.080 72.1 -62.2 -78.3-165.9 3.4 -20.3 3.7 85 310 A N B -R 79 0F 153 -6,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.544 50.0-125.7 -78.8 148.2 2.5 -21.8 7.0 86 311 A Y - 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