==== 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 24-JUN-11 3SLD . 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. . 3046 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 117044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1808 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 913 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 32 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.1 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 . 340 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 239 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 0.6 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 10 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 7 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 . 54 24 30 15 25 5 22 7 4 4 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 3 1 2 0 7 4 0 0 0 0 0 0 0 0 0 3 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 1 223 A R 0 0 204 0, 0.0 1176,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-154.0 102.0 69.1 -45.2 2 224 A T - 0 0 13 1174,-0.4 3,-0.1 1,-0.1 242,-0.1 -0.427 360.0 -79.9 -82.4 156.0 101.1 67.3 -42.0 3 225 A K - 0 0 99 240,-0.1 -1,-0.1 -2,-0.1 239,-0.0 -0.347 58.8-112.4 -54.5 119.4 98.6 68.7 -39.5 4 226 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 240,-0.1 -0.213 28.1-124.1 -66.9 139.5 100.6 71.3 -37.5 5 227 A F + 0 0 7 240,-0.1 2,-0.3 -3,-0.1 290,-0.1 -0.517 36.2 166.8 -82.1 148.8 101.2 70.5 -33.8 6 228 A T - 0 0 57 -2,-0.2 238,-0.1 288,-0.1 236,-0.1 -0.987 29.6-139.0-154.1 156.1 100.2 72.9 -31.0 7 229 A V - 0 0 9 -2,-0.3 288,-0.2 1,-0.1 228,-0.1 -0.843 48.1 -88.0-109.9 153.3 99.7 73.1 -27.2 8 230 A P - 0 0 6 0, 0.0 2,-1.2 0, 0.0 285,-0.3 -0.141 33.6-122.7 -51.8 148.1 96.7 74.9 -25.8 9 231 A I + 0 0 42 283,-0.1 2,-0.3 -3,-0.0 285,-0.1 -0.812 66.7 129.5 -92.4 93.1 97.2 78.7 -25.2 10 232 A L - 0 0 12 -2,-1.2 283,-0.5 283,-0.2 5,-0.1 -0.993 58.1-120.1-148.1 136.5 96.3 78.5 -21.5 11 233 A T > - 0 0 18 -2,-0.3 3,-1.0 281,-0.1 4,-0.2 -0.393 35.6-106.9 -69.6 162.2 98.2 79.9 -18.5 12 234 A V G > S+ 0 0 4 279,-0.5 3,-1.7 1,-0.2 12,-0.4 0.911 120.0 53.9 -52.0 -46.2 99.2 77.4 -15.8 13 235 A E G 3 S+ 0 0 87 276,-0.3 -1,-0.2 1,-0.3 277,-0.1 0.642 101.7 58.2 -70.1 -15.6 96.4 78.7 -13.5 14 236 A E G < S+ 0 0 60 -3,-1.0 -1,-0.3 9,-0.1 2,-0.2 0.434 98.8 81.8 -88.0 0.2 93.7 78.2 -16.1 15 237 A M S < S- 0 0 1 -3,-1.7 9,-2.8 -4,-0.2 2,-0.4 -0.589 72.3-123.0-110.9 172.8 94.5 74.5 -16.3 16 238 A T B -A 23 0A 0 7,-0.3 217,-2.4 -2,-0.2 218,-0.4 -0.837 23.9-110.0-119.6 143.6 93.7 71.4 -14.3 17 239 A N - 0 0 0 5,-3.1 3,-0.4 -2,-0.4 5,-0.3 -0.474 22.6-148.9 -66.3 135.1 95.8 68.7 -12.6 18 240 A S S S+ 0 0 0 213,-0.4 24,-0.3 1,-0.2 -1,-0.1 0.492 91.2 50.5 -84.9 -1.1 95.5 65.5 -14.6 19 241 A R S S+ 0 0 1 1,-0.4 84,-0.3 22,-0.1 -1,-0.2 0.413 121.5 17.1-116.6 -6.1 96.0 63.2 -11.5 20 242 A F S S- 0 0 2 -3,-0.4 2,-2.3 2,-0.2 -1,-0.4 -0.915 88.9-102.3-162.3 143.1 93.4 64.7 -9.2 21 243 A P S S+ 0 0 21 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.405 82.5 96.8 -76.2 76.2 90.5 67.0 -10.0 22 244 A I S S- 0 0 5 -2,-2.3 -5,-3.1 -5,-0.3 -2,-0.2 -0.960 78.3 -86.1-148.1 166.7 91.8 70.4 -8.9 23 245 A P B -A 16 0A 27 0, 0.0 -7,-0.3 0, 0.0 192,-0.3 -0.262 42.5-107.2 -72.6 154.9 93.5 73.3 -10.7 24 246 A L - 0 0 2 -9,-2.8 190,-0.2 -12,-0.4 -9,-0.1 -0.530 32.9-176.4 -69.4 151.2 97.3 73.5 -11.4 25 247 A E - 0 0 79 188,-3.0 2,-0.3 1,-0.3 189,-0.2 0.660 53.1 -12.3-114.9 -34.0 99.0 76.1 -9.2 26 248 A K E -B 213 0B 73 187,-2.2 187,-2.7 -14,-0.1 2,-0.4 -0.938 57.9-101.8-161.1 171.6 102.6 76.2 -10.3 27 249 A L E +B 212 0B 1 258,-0.3 258,-2.4 -2,-0.3 2,-0.4 -0.927 36.9 179.1-110.0 133.9 105.6 74.7 -12.2 28 250 A F E -BC 211 284B 19 183,-2.0 183,-3.2 -2,-0.4 2,-0.3 -0.993 8.5-172.5-134.7 142.5 108.2 72.8 -10.3 29 251 A T E +BC 210 283B 0 254,-1.9 254,-3.1 -2,-0.4 181,-0.1 -0.971 16.1 145.9-130.5 153.8 111.5 71.0 -11.3 30 252 A G E -B 209 0B 3 179,-0.6 179,-0.5 -2,-0.3 252,-0.2 -0.982 53.0 -75.1-171.4 164.2 113.9 68.8 -9.3 31 253 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 177,-0.1 -0.479 39.4-170.5 -66.8 146.2 116.1 65.8 -9.8 32 254 A S > + 0 0 12 1,-0.1 3,-0.7 -2,-0.1 5,-0.2 0.024 52.5 103.4-129.3 28.6 114.2 62.5 -10.0 33 255 A S T 3 S+ 0 0 127 1,-0.2 -1,-0.1 3,-0.1 168,-0.0 0.708 77.4 63.8 -83.8 -11.6 116.6 59.6 -9.8 34 256 A A T 3 S+ 0 0 98 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.417 109.0 36.0 -90.9 2.7 115.7 58.9 -6.2 35 257 A F S < S- 0 0 78 -3,-0.7 2,-0.7 2,-0.0 147,-0.1 -0.964 84.8-105.2-149.2 169.9 112.1 58.0 -7.0 36 258 A V - 0 0 84 145,-0.4 2,-1.3 -2,-0.3 -3,-0.1 -0.841 21.9-159.6-103.2 116.8 110.1 56.4 -9.7 37 259 A V + 0 0 4 -2,-0.7 163,-2.5 163,-0.5 144,-0.1 -0.736 44.0 128.8 -99.0 90.1 108.1 58.7 -12.0 38 260 A Q + 0 0 44 -2,-1.3 159,-0.1 161,-0.2 -1,-0.1 -0.256 25.7 166.7-136.1 48.5 105.5 56.4 -13.4 39 261 A P - 0 0 2 0, 0.0 65,-0.1 0, 0.0 158,-0.1 -0.285 24.2-155.7 -63.4 155.0 102.1 58.0 -12.9 40 262 A Q S S+ 0 0 0 63,-0.1 13,-1.8 61,-0.1 14,-0.4 0.604 72.2 68.8-111.2 -15.1 99.3 56.5 -14.9 41 263 A N S S+ 0 0 2 1,-0.2 189,-0.3 11,-0.2 -22,-0.1 -0.728 95.4 34.6 -91.9 152.3 96.9 59.4 -15.1 42 264 A G S S+ 0 0 1 -24,-0.3 2,-0.5 -2,-0.3 188,-0.2 0.838 85.6 137.7 73.6 31.0 97.8 62.4 -17.2 43 265 A R + 0 0 2 8,-0.4 8,-2.6 -3,-0.4 2,-0.3 -0.964 14.4 135.0-121.2 122.0 99.6 60.2 -19.8 44 266 A C B -I 50 0C 0 -2,-0.5 6,-0.2 6,-0.3 2,-0.1 -0.960 48.3-118.1-162.0 135.9 99.2 60.9 -23.5 45 267 A T > - 0 0 22 4,-2.1 3,-2.0 -2,-0.3 227,-0.2 -0.450 36.6-108.3 -75.9 158.2 101.5 61.0 -26.5 46 268 A T T 3 S+ 0 0 1 225,-2.7 198,-0.4 1,-0.3 226,-0.1 0.673 119.5 56.6 -61.4 -15.5 101.8 64.3 -28.3 47 269 A D T 3 S- 0 0 69 224,-0.4 -1,-0.3 196,-0.2 225,-0.1 0.374 126.1 -94.4-103.7 8.0 99.8 62.7 -31.2 48 270 A G S < S+ 0 0 8 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.574 72.1 141.3 110.8 7.5 96.9 61.8 -29.1 49 271 A A - 0 0 49 190,-0.0 -4,-2.1 1,-0.0 -1,-0.3 -0.724 43.5-139.3 -83.4 123.1 97.2 58.2 -27.8 50 272 A L B -I 44 0C 56 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.526 24.5-167.2 -71.9 146.0 96.0 57.9 -24.2 51 273 A L > + 0 0 50 -8,-2.6 3,-1.8 -2,-0.2 -8,-0.4 -0.912 45.0 1.9-129.6 167.2 98.2 55.6 -22.0 52 274 A G T 3 S- 0 0 14 143,-0.3 45,-0.2 -2,-0.3 -11,-0.2 -0.429 125.4 -31.6 64.8-124.2 97.9 54.0 -18.6 53 275 A T T 3 S+ 0 0 0 -13,-1.8 47,-3.2 -2,-0.2 -1,-0.3 0.015 97.3 140.5-116.1 26.8 94.6 54.7 -16.9 54 276 A T < + 0 0 5 -3,-1.8 2,-0.2 -14,-0.4 -13,-0.1 -0.514 21.1 167.2 -77.6 136.2 94.2 58.1 -18.5 55 277 A Q - 0 0 12 -2,-0.2 -13,-0.2 2,-0.2 182,-0.1 -0.694 42.7-102.8-136.6-174.4 90.8 59.3 -19.7 56 278 A L S S+ 0 0 14 -2,-0.2 181,-0.1 180,-0.1 579,-0.1 0.840 82.3 97.3 -87.1 -30.1 89.3 62.7 -20.9 57 279 A S - 0 0 9 1,-0.2 -2,-0.2 3,-0.1 579,-0.1 -0.417 50.6-164.5 -71.0 124.4 87.2 63.8 -17.9 58 280 A P S S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.667 92.1 45.2 -75.6 -20.0 88.8 66.3 -15.6 59 281 A V S S+ 0 0 10 1,-0.2 2,-1.3 -38,-0.0 -2,-0.1 0.805 98.6 66.7 -98.6 -29.6 86.2 65.6 -13.0 60 282 A D S S+ 0 0 6 2,-0.1 2,-0.4 -40,-0.1 3,-0.3 -0.207 70.5 120.4 -78.5 45.7 86.1 61.9 -13.0 61 283 A I S S+ 0 0 1 -2,-1.3 40,-0.1 -3,-0.3 3,-0.1 -0.935 85.0 3.6-107.4 134.9 89.6 61.4 -11.7 62 284 A C S S+ 0 0 0 38,-2.6 2,-0.2 -2,-0.4 -1,-0.2 0.790 101.9 129.9 58.6 25.4 89.7 59.4 -8.4 63 285 A T - 0 0 19 -3,-0.3 2,-0.3 37,-0.2 -1,-0.2 -0.586 39.6-163.2 -95.2 170.5 86.0 58.9 -8.5 64 286 A F E -J 161 0D 12 97,-1.0 97,-2.8 -2,-0.2 2,-0.3 -0.967 6.0-172.1-152.4 141.8 84.3 55.4 -8.1 65 287 A R E +J 160 0D 18 17,-0.4 17,-2.4 -2,-0.3 2,-0.3 -0.990 32.7 90.1-136.7 145.0 80.8 54.1 -8.9 66 288 A G E S-JK 159 81D 4 93,-2.2 93,-2.6 -2,-0.3 2,-0.4 -0.989 70.2 -56.2 166.9-159.0 79.1 50.8 -8.0 67 289 A D E - K 0 80D 63 13,-1.3 13,-2.2 -2,-0.3 2,-0.3 -0.904 47.7-140.7-113.9 145.5 77.0 49.0 -5.5 68 290 A V E - K 0 79D 1 86,-0.5 88,-0.4 89,-0.4 2,-0.4 -0.714 11.3-164.4-110.2 161.3 78.0 48.8 -1.9 69 291 A T E - K 0 78D 62 9,-1.3 9,-2.3 -2,-0.3 85,-0.1 -0.993 26.2-120.7-141.7 126.1 77.8 45.9 0.6 70 292 A H E - K 0 77D 62 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.372 16.2-133.6 -70.6 147.9 78.3 46.5 4.3 71 293 A I > - 0 0 50 5,-2.2 3,-1.5 3,-0.1 5,-0.5 -0.908 34.1-117.3 -99.9 110.7 81.0 44.6 6.0 72 294 A A T 3 S+ 0 0 88 -2,-0.7 3,-0.1 1,-0.2 5,-0.0 -0.106 92.3 16.4 -53.5 137.8 79.4 43.2 9.2 73 295 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 77,-0.1 -1,-0.2 0.587 115.7 71.8 77.7 12.5 80.8 44.5 12.5 74 296 A T S < S- 0 0 52 -3,-1.5 -1,-0.2 2,-0.2 -3,-0.1 -0.849 84.4-112.8-141.3 179.4 82.7 47.5 11.0 75 297 A Q S S+ 0 0 89 -2,-0.3 72,-3.3 -3,-0.1 74,-0.4 -0.075 81.3 102.5-105.2 35.6 82.1 50.9 9.5 76 298 A N E - L 0 146D 38 -5,-0.5 -5,-2.2 70,-0.2 2,-0.4 -0.820 50.6-157.2-120.6 157.2 83.3 49.8 6.0 77 299 A Y E -KL 70 145D 4 68,-2.4 68,-2.7 -2,-0.3 2,-0.5 -0.963 13.6-136.4-131.5 145.2 81.8 49.0 2.8 78 300 A T E -KL 69 144D 30 -9,-2.3 -9,-1.3 -2,-0.4 2,-0.5 -0.876 20.8-156.8 -93.2 130.5 82.9 47.0 -0.3 79 301 A M E -KL 68 143D 0 64,-3.3 64,-1.9 -2,-0.5 2,-0.7 -0.935 8.0-148.2-107.9 126.3 82.1 48.6 -3.6 80 302 A N E -KL 67 142D 71 -13,-2.2 -13,-1.3 -2,-0.5 62,-0.2 -0.866 32.9-123.6 -85.0 114.5 81.8 46.5 -6.7 81 303 A L E -K 66 0D 10 60,-2.3 8,-0.7 -2,-0.7 2,-0.3 -0.198 28.8-172.8 -63.0 141.2 83.0 48.9 -9.4 82 304 A A B -B 88 0E 23 -17,-2.4 -17,-0.4 6,-0.2 6,-0.2 -0.811 34.8 -87.2-120.8 169.7 80.8 49.7 -12.4 83 305 A S > - 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