==== 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 22-JUN-11 3SKB . 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. . 3041 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 113211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1822 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 953 31.3 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 . 33 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 . 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 . 327 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 226 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 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 . 2 6 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 . 72 16 37 12 29 0 24 8 3 5 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 0 0 2 13 1 0 0 0 0 0 0 0 0 2 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 1 224 A T 0 0 131 0, 0.0 242,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.9 81.5 -16.7 17.6 2 225 A K - 0 0 91 240,-0.1 2,-0.2 1,-0.1 239,-0.0 -0.666 360.0-112.7 -83.1 136.0 82.7 -19.8 15.7 3 226 A P - 0 0 97 0, 0.0 2,-0.1 0, 0.0 240,-0.1 -0.473 20.7-126.5 -87.2 138.8 85.2 -19.0 13.0 4 227 A F + 0 0 9 -2,-0.2 2,-0.3 240,-0.2 290,-0.1 -0.453 35.0 171.8 -77.1 146.2 84.5 -19.3 9.3 5 228 A T - 0 0 57 -2,-0.1 238,-0.1 238,-0.1 236,-0.1 -0.978 27.8-144.3-148.9 157.2 86.8 -21.3 7.1 6 229 A V - 0 0 9 -2,-0.3 288,-0.2 286,-0.1 228,-0.1 -0.957 43.8 -91.2-119.9 149.6 87.4 -22.8 3.7 7 230 A P - 0 0 4 0, 0.0 2,-1.5 0, 0.0 285,-0.4 -0.180 27.8-125.7 -59.7 146.5 89.2 -26.1 3.2 8 231 A I + 0 0 96 283,-0.1 2,-0.3 285,-0.0 285,-0.1 -0.495 68.6 120.9 -92.1 62.8 92.9 -26.1 2.6 9 232 A L - 0 0 8 -2,-1.5 283,-0.6 283,-0.1 2,-0.1 -0.888 60.8-117.8-124.0 155.3 92.7 -28.0 -0.6 10 233 A T B > -A 291 0A 13 -2,-0.3 4,-1.0 281,-0.2 281,-0.1 -0.266 33.7-105.4 -75.9 173.1 93.9 -27.2 -4.1 11 234 A V T >4 S+ 0 0 2 279,-0.5 3,-0.6 1,-0.2 12,-0.4 0.934 125.3 47.7 -63.4 -41.1 91.6 -26.9 -7.0 12 235 A E T 34 S+ 0 0 83 276,-0.4 -1,-0.2 1,-0.3 277,-0.1 0.747 104.7 58.4 -75.9 -23.3 92.9 -30.2 -8.2 13 236 A E T 34 S+ 0 0 66 9,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.791 102.4 74.7 -71.6 -25.4 92.5 -31.8 -4.8 14 237 A M S << S- 0 0 2 -4,-1.0 9,-2.0 -3,-0.6 2,-0.4 -0.186 73.8-125.6 -91.4 178.7 88.8 -31.0 -5.0 15 238 A T B -I 22 0B 0 7,-0.3 217,-2.4 -2,-0.0 218,-0.4 -0.933 22.4-106.4-132.9 140.5 85.7 -32.3 -6.8 16 239 A N - 0 0 0 5,-2.4 5,-0.2 -2,-0.4 3,-0.1 -0.383 21.5-153.4 -65.3 140.7 83.0 -30.9 -9.0 17 240 A S S S+ 0 0 1 213,-0.4 24,-0.4 1,-0.2 -1,-0.1 0.485 88.7 54.6 -96.2 -3.3 79.7 -30.6 -7.3 18 241 A R S S+ 0 0 1 1,-0.4 84,-0.4 22,-0.2 -1,-0.2 0.487 121.5 11.7-108.3 -9.1 77.5 -31.0 -10.4 19 242 A F S S- 0 0 2 2,-0.2 2,-2.1 -3,-0.1 -1,-0.4 -0.913 89.3 -99.5-166.3 143.7 78.9 -34.2 -11.8 20 243 A P S S+ 0 0 21 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.426 83.2 97.8 -84.1 77.7 81.2 -36.8 -10.1 21 244 A I S S- 0 0 6 -2,-2.1 -5,-2.4 -5,-0.2 -2,-0.2 -0.936 76.6 -95.6-144.5 160.5 84.6 -35.9 -11.5 22 245 A P B -I 15 0B 24 0, 0.0 -7,-0.3 0, 0.0 192,-0.3 -0.389 42.1 -97.6 -83.3 164.3 87.4 -33.8 -9.9 23 246 A L + 0 0 7 -9,-2.0 190,-0.2 -12,-0.4 3,-0.1 -0.314 34.6 179.4 -72.6 159.4 87.9 -30.1 -10.6 24 247 A E - 0 0 66 188,-2.5 2,-0.3 1,-0.5 189,-0.2 0.665 54.6 -2.6-129.0 -46.5 90.6 -29.0 -13.1 25 248 A K E -B 212 0A 65 187,-1.8 187,-2.3 -14,-0.1 -1,-0.5 -0.939 59.9-111.6-149.2 160.9 90.8 -25.2 -13.5 26 249 A L E -B 211 0A 0 258,-0.4 258,-1.6 -2,-0.3 2,-0.3 -0.801 37.0-176.0 -94.0 147.0 89.3 -21.9 -12.4 27 250 A F E -BC 210 283A 15 183,-2.0 183,-3.4 -2,-0.3 2,-0.4 -0.995 10.3-168.5-145.3 138.4 87.4 -20.0 -15.0 28 251 A T E +BC 209 282A 0 254,-2.4 254,-1.8 -2,-0.3 181,-0.2 -0.980 21.1 136.7-129.2 144.9 85.7 -16.6 -15.1 29 252 A G E -B 208 0A 2 179,-0.8 179,-0.6 -2,-0.4 2,-0.4 -0.912 53.7 -61.1-163.2-172.7 83.4 -15.1 -17.6 30 253 A P - 0 0 50 0, 0.0 3,-0.4 0, 0.0 177,-0.1 -0.772 33.7-166.8 -97.2 132.5 80.2 -13.0 -18.1 31 254 A S + 0 0 13 -2,-0.4 5,-0.4 1,-0.2 168,-0.1 -0.160 64.6 85.6-114.6 31.6 76.9 -14.5 -16.9 32 255 A S S S+ 0 0 44 1,-0.1 932,-0.2 1094,-0.1 1095,-0.2 0.614 77.0 64.1-110.4 -18.7 74.2 -12.4 -18.5 33 256 A A S S+ 0 0 56 -3,-0.4 2,-0.3 1093,-0.1 -1,-0.1 0.489 116.5 25.0 -81.7 -3.3 73.8 -14.1 -21.8 34 257 A F S S- 0 0 57 928,-0.1 2,-0.7 930,-0.0 928,-0.1 -0.949 86.4 -97.6-153.1 172.0 72.6 -17.1 -19.8 35 258 A V - 0 0 23 145,-0.4 2,-1.4 -2,-0.3 -3,-0.1 -0.837 22.1-159.2-103.4 109.5 71.0 -18.2 -16.5 36 259 A V B +J 199 0C 1 -2,-0.7 163,-2.7 163,-0.5 144,-0.1 -0.674 42.4 133.4 -86.4 92.7 73.3 -19.4 -13.8 37 260 A Q + 0 0 34 -2,-1.4 161,-0.1 161,-0.2 159,-0.1 -0.343 24.6 170.1-138.7 58.5 70.9 -21.5 -11.7 38 261 A P - 0 0 2 0, 0.0 65,-0.1 0, 0.0 142,-0.0 -0.399 24.7-157.0 -75.3 151.2 72.4 -24.8 -10.9 39 262 A Q S S+ 0 0 0 61,-0.1 13,-0.7 63,-0.1 14,-0.6 0.525 73.3 72.1-103.2 -13.3 70.6 -27.0 -8.4 40 263 A N S S+ 0 0 1 1,-0.2 189,-0.4 12,-0.2 -22,-0.2 -0.773 95.7 23.5-104.4 151.1 73.7 -29.0 -7.4 41 264 A G S S+ 0 0 1 -24,-0.4 2,-0.4 -2,-0.3 188,-0.3 0.968 86.1 141.6 59.3 52.7 76.7 -27.8 -5.4 42 265 A R + 0 0 0 8,-0.3 8,-2.4 -3,-0.3 2,-0.3 -0.965 14.1 136.0-131.0 113.9 74.5 -25.1 -3.8 43 266 A C B -K 49 0D 0 -2,-0.4 6,-0.2 229,-0.3 2,-0.2 -0.991 47.7-116.3-159.4 146.5 75.0 -24.3 -0.1 44 267 A T > - 0 0 21 4,-2.2 3,-1.9 -2,-0.3 227,-0.2 -0.526 34.0-111.8 -87.6 159.1 75.2 -21.3 2.1 45 268 A T T 3 S+ 0 0 1 225,-2.0 198,-0.4 1,-0.3 197,-0.1 0.805 117.9 60.2 -65.9 -25.6 78.4 -20.5 3.9 46 269 A D T 3 S- 0 0 68 224,-0.4 -1,-0.3 196,-0.2 225,-0.0 0.070 126.8 -95.4 -91.4 32.8 76.7 -21.3 7.2 47 270 A G S < S+ 0 0 9 -3,-1.9 2,-0.6 1,-0.2 -2,-0.1 0.658 73.5 141.9 74.7 22.3 75.9 -24.8 6.0 48 271 A A - 0 0 44 -4,-0.1 -4,-2.2 0, 0.0 -1,-0.2 -0.856 41.9-139.8 -99.6 122.5 72.4 -24.8 4.5 49 272 A L B -K 43 0D 52 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.422 22.5-166.6 -75.6 152.2 72.0 -27.0 1.5 50 273 A L > - 0 0 48 -8,-2.4 3,-2.5 -11,-0.1 -8,-0.3 -0.850 43.3 -3.6-134.3 169.3 69.8 -25.8 -1.4 51 274 A G T 3 S- 0 0 13 143,-0.3 -11,-0.1 -2,-0.3 45,-0.1 -0.135 125.3 -28.4 50.1-137.3 68.1 -27.0 -4.6 52 275 A T T 3 S+ 0 0 0 -13,-0.7 47,-2.5 48,-0.1 -1,-0.3 0.202 99.2 140.4 -92.4 16.2 68.9 -30.6 -5.3 53 276 A T < + 0 0 3 -3,-2.5 2,-0.2 -14,-0.6 -13,-0.1 -0.333 22.0 166.6 -71.0 138.3 72.2 -30.4 -3.5 54 277 A Q - 0 0 11 2,-0.1 -13,-0.2 -2,-0.1 182,-0.1 -0.803 40.1-105.6-143.7 178.9 73.3 -33.3 -1.3 55 278 A L S S+ 0 0 12 -2,-0.2 181,-0.1 180,-0.1 5,-0.1 0.873 81.1 89.1 -88.8 -37.8 76.5 -34.6 0.4 56 279 A S - 0 0 6 1,-0.2 -2,-0.1 3,-0.1 1196,-0.1 -0.447 55.0-157.9 -66.1 126.1 78.0 -37.6 -1.5 57 280 A P S S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.554 96.3 50.4 -75.3 -6.9 80.5 -36.6 -4.3 58 281 A V S S+ 0 0 9 1,-0.1 -2,-0.1 -38,-0.0 -3,-0.0 0.744 98.5 60.6-101.8 -33.2 79.7 -39.9 -5.7 59 282 A D S > S+ 0 0 7 -40,-0.1 3,-0.7 2,-0.1 2,-0.4 0.057 74.2 118.9 -91.5 25.1 75.9 -40.0 -5.8 60 283 A I T 3 S+ 0 0 1 1,-0.2 40,-0.1 -3,-0.2 3,-0.1 -0.784 85.4 5.4 -90.6 135.3 75.6 -37.0 -8.0 61 284 A C T 3 S+ 0 0 1 38,-2.5 2,-0.3 -2,-0.4 -1,-0.2 0.775 103.7 128.0 61.3 28.9 73.8 -37.7 -11.3 62 285 A T < - 0 0 7 -3,-0.7 2,-0.4 37,-0.2 -1,-0.2 -0.746 44.0-154.0-109.0 164.1 73.1 -41.2 -10.1 63 286 A F E -L 160 0E 7 97,-1.1 97,-2.4 -2,-0.3 2,-0.3 -0.991 8.0-173.3-141.2 128.8 69.7 -43.0 -10.1 64 287 A R E +L 159 0E 16 17,-0.5 17,-2.5 -2,-0.4 2,-0.3 -0.910 36.1 90.8-117.7 147.7 68.4 -45.9 -7.9 65 288 A G E -LM 158 80E 2 93,-1.7 93,-3.0 -2,-0.3 2,-0.3 -0.981 68.8 -69.3 164.2-167.8 65.1 -47.7 -8.3 66 289 A D E - 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