==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-JUN-11 3SJP . COMPND 2 MOLECULE: CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: NOROVIRUS HU/GII.4/2004/NL; . AUTHOR S.SHANKER,J-M.CHOI,B.SANKARAN,R.L.ATMAR,ESTES M.K.,PRASAD B. . 294 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 1 0.3 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 . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.4 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 . 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 0 PARALLEL BRIDGES PER LADDER . 6 1 4 3 1 0 3 1 0 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 0 1 0 1 0 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 1 221 A E 0 0 221 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 -9.3 53.0 -11.1 2 222 A S - 0 0 98 1,-0.1 2,-0.7 0, 0.0 0, 0.0 -0.416 360.0-141.7 -72.7 141.7 -8.3 55.5 -8.5 3 223 A R - 0 0 235 -2,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.905 28.0-178.4-108.5 109.3 -7.0 58.9 -9.6 4 224 A T - 0 0 68 -2,-0.7 227,-0.1 1,-0.1 3,-0.1 -0.580 38.2 -75.0-105.7 164.8 -4.2 60.1 -7.3 5 225 A K - 0 0 98 -2,-0.2 -1,-0.1 225,-0.1 2,-0.1 -0.359 55.5-112.2 -57.4 127.1 -2.0 63.2 -7.2 6 226 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.391 32.9-115.4 -59.1 135.8 0.7 63.1 -9.9 7 227 A F + 0 0 7 225,-0.2 2,-0.3 -3,-0.1 42,-0.1 -0.538 42.8 168.7 -71.5 142.3 4.2 62.7 -8.5 8 228 A T - 0 0 61 -2,-0.2 223,-0.1 40,-0.2 221,-0.1 -0.968 26.7-141.9-145.5 161.5 6.7 65.6 -9.1 9 229 A V - 0 0 9 -2,-0.3 273,-0.2 271,-0.1 213,-0.1 -0.892 43.8 -85.3-117.4 157.2 10.1 66.8 -8.0 10 230 A P - 0 0 16 0, 0.0 270,-0.3 0, 0.0 -1,-0.1 -0.139 25.1-135.9 -56.6 157.2 11.0 70.5 -7.4 11 231 A I + 0 0 127 268,-0.1 2,-0.1 270,-0.1 270,-0.0 0.258 63.6 126.9 -97.8 8.4 12.1 72.6 -10.3 12 232 A L - 0 0 55 1,-0.1 268,-0.5 267,-0.1 5,-0.1 -0.436 60.1-124.1 -68.2 138.8 14.9 74.1 -8.3 13 233 A T B > -A 279 0A 13 266,-0.1 3,-0.8 -2,-0.1 4,-0.3 -0.284 31.6 -99.7 -71.8 167.1 18.4 74.0 -9.8 14 234 A V G > S+ 0 0 4 264,-0.5 3,-1.5 1,-0.3 12,-0.5 0.909 124.0 49.2 -56.2 -46.1 21.2 72.3 -7.8 15 235 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 261,-0.2 262,-0.0 0.666 105.4 58.8 -72.9 -14.9 22.6 75.7 -6.6 16 236 A E G < S+ 0 0 117 -3,-0.8 -1,-0.3 9,-0.1 -2,-0.2 0.449 101.5 72.8 -87.7 -1.6 19.1 76.8 -5.5 17 237 A M S < S- 0 0 1 -3,-1.5 9,-2.1 -4,-0.3 2,-0.4 -0.540 73.1-127.5-112.9 173.9 18.9 73.7 -3.1 18 238 A T B -F 25 0B 29 7,-0.3 202,-2.8 -2,-0.2 203,-0.3 -0.947 24.3-102.9-128.9 147.1 20.4 72.7 0.2 19 239 A N - 0 0 0 5,-2.8 5,-0.3 -2,-0.4 3,-0.3 -0.382 23.4-145.9 -63.4 138.4 22.3 69.7 1.5 20 240 A S S S+ 0 0 1 198,-0.4 24,-0.3 1,-0.2 -1,-0.1 0.421 94.3 52.4 -85.8 -0.1 20.1 67.5 3.7 21 241 A R S S+ 0 0 0 1,-0.4 84,-0.3 3,-0.1 -1,-0.2 0.468 120.8 16.9-116.8 -4.7 22.8 66.5 6.0 22 242 A F S S- 0 0 2 -3,-0.3 2,-2.2 2,-0.2 -1,-0.4 -0.930 86.4-103.2-162.9 143.2 24.1 70.0 6.9 23 243 A P S S+ 0 0 42 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.464 81.5 103.9 -76.0 78.7 22.6 73.4 6.6 24 244 A I S S- 0 0 33 -2,-2.2 -5,-2.8 -5,-0.3 -2,-0.2 -0.978 75.9 -87.6-149.0 153.1 24.6 74.6 3.5 25 245 A P B -F 18 0B 85 0, 0.0 184,-0.3 0, 0.0 -7,-0.3 -0.238 41.7-113.0 -56.8 146.8 23.9 75.1 -0.2 26 246 A L - 0 0 3 -9,-2.1 182,-0.2 -12,-0.5 -9,-0.1 -0.556 29.4-172.0 -69.1 148.8 24.4 72.1 -2.6 27 247 A E - 0 0 82 180,-2.6 2,-0.3 1,-0.4 181,-0.2 0.680 52.2 -26.6-117.4 -32.5 27.2 72.9 -4.9 28 248 A K E -G 207 0C 68 179,-2.0 179,-3.0 -14,-0.1 -1,-0.4 -0.989 58.2 -93.5-174.0 171.0 27.2 70.1 -7.5 29 249 A L E -G 206 0C 0 -2,-0.3 243,-1.5 243,-0.3 2,-0.4 -0.801 35.0-175.8-102.3 142.5 26.3 66.5 -8.5 30 250 A F E -GH 205 271C 19 175,-2.5 175,-3.8 -2,-0.4 2,-0.4 -1.000 8.4-170.9-139.5 137.3 28.8 63.6 -8.2 31 251 A T E +GH 204 270C 0 239,-2.0 239,-2.3 -2,-0.4 173,-0.2 -0.980 22.4 135.4-125.3 145.6 28.7 59.9 -9.2 32 252 A G - 0 0 1 171,-0.8 171,-0.5 -2,-0.4 237,-0.1 -0.958 56.4 -69.8-172.9 164.9 31.2 57.2 -8.3 33 253 A P - 0 0 70 0, 0.0 169,-0.1 0, 0.0 234,-0.0 -0.254 35.9-173.2 -62.0 156.3 31.4 53.6 -7.1 34 254 A S > + 0 0 13 162,-0.1 3,-0.7 2,-0.0 5,-0.2 0.049 50.3 109.2-143.3 25.9 30.4 53.0 -3.5 35 255 A S T 3 S+ 0 0 121 1,-0.2 -1,-0.0 3,-0.1 160,-0.0 0.714 76.5 59.5 -75.4 -20.8 31.3 49.4 -2.8 36 256 A A T 3 S+ 0 0 95 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.398 108.9 41.0 -94.9 3.7 34.2 50.4 -0.5 37 257 A F S < S- 0 0 75 -3,-0.7 2,-0.6 2,-0.0 139,-0.0 -0.986 83.1-112.6-144.3 156.2 32.1 52.4 2.0 38 258 A V - 0 0 90 -2,-0.3 2,-1.0 137,-0.1 -3,-0.1 -0.794 23.4-157.8 -90.4 119.2 28.7 52.0 3.7 39 259 A V + 0 0 2 -2,-0.6 155,-2.4 155,-0.5 136,-0.1 -0.804 41.2 133.2 -99.9 94.3 26.2 54.6 2.5 40 260 A Q + 0 0 44 -2,-1.0 151,-0.1 135,-0.3 153,-0.1 -0.312 24.0 170.5-138.0 52.3 23.7 54.8 5.3 41 261 A P - 0 0 3 0, 0.0 65,-0.1 0, 0.0 150,-0.1 -0.255 22.1-155.9 -59.5 155.0 23.1 58.5 6.1 42 262 A Q S S+ 0 0 0 61,-0.1 13,-0.8 12,-0.1 14,-0.7 0.656 74.0 64.1-110.4 -24.5 20.2 59.1 8.4 43 263 A N S S+ 0 0 4 1,-0.2 174,-0.3 12,-0.2 -22,-0.1 -0.690 95.0 38.7 -92.2 156.9 19.3 62.6 7.4 44 264 A G S S+ 0 0 1 -24,-0.3 2,-0.5 -2,-0.3 173,-0.3 0.838 85.4 135.6 69.8 33.6 18.1 63.4 3.9 45 265 A R + 0 0 2 -3,-0.4 8,-2.4 8,-0.4 2,-0.3 -0.962 16.4 132.7-119.7 122.4 16.1 60.2 3.9 46 266 A C B -J 52 0D 0 -2,-0.5 6,-0.2 214,-0.3 2,-0.1 -0.956 48.4-117.5-164.5 139.3 12.5 60.2 2.6 47 267 A T > - 0 0 19 4,-2.1 3,-1.8 -2,-0.3 212,-0.2 -0.446 33.0-113.2 -78.4 160.1 10.4 58.1 0.2 48 268 A T T 3 S+ 0 0 0 210,-2.1 183,-0.4 1,-0.3 -40,-0.2 0.810 117.5 57.1 -64.8 -29.2 9.0 59.6 -2.9 49 269 A D T 3 S- 0 0 64 209,-0.4 -1,-0.3 181,-0.2 210,-0.1 0.305 128.4 -93.1 -89.7 12.0 5.5 59.2 -1.5 50 270 A G S < S+ 0 0 10 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.712 73.8 141.9 96.4 24.6 6.4 61.3 1.5 51 271 A A - 0 0 46 -4,-0.0 -4,-2.1 0, 0.0 -1,-0.2 -0.871 41.5-141.8 -98.6 110.9 7.6 58.9 4.4 52 272 A L B -J 46 0D 56 -2,-0.7 -6,-0.3 -6,-0.2 2,-0.2 -0.426 21.6-163.5 -68.0 143.7 10.5 60.4 6.4 53 273 A L > - 0 0 47 -8,-2.4 3,-2.5 -2,-0.1 -8,-0.4 -0.768 44.2 -6.7-127.1 168.8 13.1 57.9 7.5 54 274 A G T 3 S- 0 0 14 1,-0.3 -11,-0.1 135,-0.2 45,-0.1 -0.199 126.7 -25.7 51.2-128.9 16.0 57.7 10.0 55 275 A T T 3 S+ 0 0 0 -13,-0.8 47,-2.6 42,-0.1 -1,-0.3 0.161 98.0 141.8-100.1 18.1 16.6 61.0 11.8 56 276 A T < + 0 0 3 -3,-2.5 2,-0.2 -14,-0.7 -13,-0.1 -0.403 20.7 168.0 -74.5 129.5 15.1 63.0 8.9 57 277 A Q - 0 0 5 -2,-0.2 -13,-0.2 2,-0.1 167,-0.1 -0.790 38.5-111.3-130.9 176.4 13.0 66.0 9.6 58 278 A L S S+ 0 0 47 -2,-0.2 166,-0.2 165,-0.1 5,-0.0 0.806 81.0 83.6 -85.2 -37.5 11.6 68.9 7.5 59 279 A S > - 0 0 40 1,-0.1 3,-1.2 2,-0.0 4,-0.4 -0.583 57.5-153.7 -83.2 125.9 13.4 72.2 8.4 60 280 A P G > S+ 0 0 36 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.830 96.7 58.1 -62.0 -30.2 16.8 73.0 6.9 61 281 A V G 3 S+ 0 0 93 1,-0.2 -2,-0.0 -39,-0.0 -3,-0.0 0.579 100.9 55.3 -80.9 -8.5 17.6 75.1 10.0 62 282 A D G X S+ 0 0 29 -3,-1.2 3,-1.7 3,-0.1 2,-0.3 0.462 77.1 119.7 -99.0 -2.2 17.2 72.2 12.4 63 283 A I T < S- 0 0 1 -3,-0.9 40,-0.1 -4,-0.4 3,-0.1 -0.490 90.4 -1.8 -68.2 125.1 19.7 70.0 10.5 64 284 A C T 3 S+ 0 0 0 38,-2.4 -1,-0.3 -2,-0.3 2,-0.2 0.771 105.5 130.1 61.0 29.5 22.6 69.1 12.9 65 285 A T < - 0 0 3 -3,-1.7 2,-0.3 37,-0.2 -1,-0.2 -0.678 42.9-155.8-103.0 165.2 21.1 71.2 15.7 66 286 A F E -K 163 0E 4 97,-1.0 97,-2.6 -2,-0.2 2,-0.3 -0.989 8.2-167.2-136.9 152.8 20.4 70.2 19.3 67 287 A R E +K 162 0E 15 -2,-0.3 17,-2.5 17,-0.3 2,-0.3 -0.983 36.7 75.9-142.8 144.8 17.9 71.6 21.7 68 288 A G E S-KL 161 83E 0 93,-2.1 93,-2.4 -2,-0.3 2,-0.3 -0.902 74.4 -60.9 160.8-132.5 17.4 71.4 25.4 69 289 A D E - L 0 82E 48 13,-0.9 13,-2.8 -2,-0.3 2,-0.3 -0.963 43.9-129.6-146.6 158.9 19.0 72.9 28.5 70 290 A V E - L 0 81E 1 89,-0.5 88,-0.6 86,-0.4 2,-0.4 -0.783 7.6-156.3-119.7 154.6 22.4 72.6 29.8 71 291 A T E - L 0 80E 57 9,-1.9 9,-2.4 -2,-0.3 2,-0.1 -0.998 30.9-117.3-125.0 131.4 24.2 71.8 33.1 72 292 A H E - L 0 79E 70 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.405 16.9-132.8 -66.0 138.2 27.7 73.1 33.7 73 293 A I > - 0 0 47 5,-2.5 3,-1.7 3,-0.2 5,-0.4 -0.846 37.8-114.7 -90.7 109.3 30.4 70.5 34.2 74 294 A A T 3 S+ 0 0 90 -2,-0.9 3,-0.1 1,-0.2 4,-0.0 -0.080 93.7 11.1 -53.4 130.7 32.2 71.8 37.3 75 295 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 77,-0.1 -1,-0.2 0.614 117.4 80.0 82.2 7.5 35.8 72.9 36.8 76 296 A T S < S- 0 0 45 -3,-1.7 -1,-0.3 2,-0.2 -3,-0.2 -0.928 80.5-126.5-135.6 164.9 35.5 72.8 33.0 77 297 A Q S S+ 0 0 86 -2,-0.3 74,-0.5 72,-0.1 72,-0.4 0.294 80.2 111.1 -92.1 10.3 34.0 75.0 30.3 78 298 A N - 0 0 41 -5,-0.4 -5,-2.5 70,-0.2 2,-0.3 -0.437 50.6-162.7 -93.6 160.1 32.1 72.0 29.1 79 299 A Y E -LM 72 147E 3 68,-2.3 68,-2.9 -7,-0.2 2,-0.6 -0.994 15.7-137.9-144.0 140.5 28.3 71.5 29.4 80 300 A T E -LM 71 146E 35 -9,-2.4 -9,-1.9 -2,-0.3 2,-0.6 -0.912 20.2-148.7 -98.6 122.2 26.0 68.6 29.2 81 301 A M E -LM 70 145E 0 64,-2.9 64,-1.4 -2,-0.6 2,-0.9 -0.842 1.9-151.0 -90.3 124.1 22.8 69.3 27.2 82 302 A N E -LM 69 144E 66 -13,-2.8 -13,-0.9 -2,-0.6 62,-0.2 -0.840 32.7-128.8 -89.4 104.0 19.8 67.4 28.3 83 303 A L E -L 68 0E 16 60,-1.9 8,-0.6 -2,-0.9 -15,-0.3 -0.103 20.9-158.2 -65.2 146.9 17.9 67.2 25.1 84 304 A A B -R 90 0F 15 -17,-2.5 -17,-0.3 1,-0.2 6,-0.2 -0.660 31.8 -91.1-106.5 171.2 14.3 68.1 24.4 85 305 A S > - 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