==== 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 10-JUN-11 3SEJ . 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,M.K.ESTES,B.V.V.PRA . 3050 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 117147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1811 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 933 30.6 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 . 31 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 . 1 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 . 342 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 225 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 3.7 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 . 0 8 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 . 60 23 33 16 24 5 16 12 2 6 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 2 3 2 1 0 3 6 0 0 0 0 0 0 0 0 2 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 1 223 A R 0 0 220 0, 0.0 1175,-0.1 0, 0.0 1174,-0.1 0.000 360.0 360.0 360.0 155.4 102.0 -68.7 45.3 2 224 A T - 0 0 15 1173,-0.5 242,-0.1 1,-0.2 3,-0.1 -0.000 360.0 -63.8 -59.3 168.3 100.4 -66.7 42.4 3 225 A K - 0 0 103 240,-0.1 -1,-0.2 1,-0.1 2,-0.0 -0.383 60.4-113.9 -60.8 121.4 98.1 -68.2 39.7 4 226 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.287 27.1-130.2 -62.0 133.3 99.9 -70.9 37.7 5 227 A F + 0 0 7 240,-0.1 2,-0.3 -3,-0.1 42,-0.1 -0.527 35.0 163.5 -78.5 153.2 100.4 -70.0 34.0 6 228 A T - 0 0 57 -2,-0.2 238,-0.1 238,-0.1 236,-0.1 -0.964 29.5-137.1-157.8 158.3 99.5 -72.5 31.3 7 229 A V - 0 0 10 -2,-0.3 288,-0.2 286,-0.1 228,-0.1 -0.877 45.7 -83.7-113.2 155.4 98.8 -72.6 27.6 8 230 A P - 0 0 6 0, 0.0 2,-1.5 0, 0.0 285,-0.3 -0.138 33.8-122.2 -54.8 150.4 95.9 -74.6 26.0 9 231 A I + 0 0 39 283,-0.1 2,-0.4 285,-0.0 285,-0.1 -0.492 66.0 133.2 -83.5 65.7 96.3 -78.3 25.5 10 232 A L - 0 0 10 -2,-1.5 283,-0.5 283,-0.2 5,-0.1 -0.951 55.7-123.8-129.0 139.2 95.6 -78.1 21.7 11 233 A T > - 0 0 17 -2,-0.4 4,-0.5 281,-0.1 3,-0.4 -0.264 34.2-110.4 -65.1 159.3 97.3 -79.4 18.7 12 234 A V T >4 S+ 0 0 3 279,-0.5 3,-1.9 1,-0.2 12,-0.4 0.951 121.4 50.9 -54.3 -47.1 98.3 -77.0 16.1 13 235 A E T 34 S+ 0 0 80 276,-0.4 -1,-0.2 1,-0.3 11,-0.1 0.734 102.7 60.4 -66.5 -22.3 95.6 -78.4 13.8 14 236 A E T 34 S+ 0 0 60 -3,-0.4 -1,-0.3 9,-0.1 -2,-0.2 0.591 100.7 72.2 -77.5 -10.1 93.0 -78.0 16.5 15 237 A M S << S- 0 0 0 -3,-1.9 9,-2.2 -4,-0.5 2,-0.3 -0.383 72.7-120.6-107.9-175.4 93.6 -74.2 16.6 16 238 A T B -A 23 0A 0 7,-0.3 217,-2.3 -2,-0.1 218,-0.3 -0.895 23.8-106.9-130.0 146.7 93.0 -71.0 14.5 17 239 A N - 0 0 0 5,-3.3 5,-0.3 -2,-0.3 25,-0.1 -0.456 22.4-149.4 -71.3 145.0 94.9 -68.3 12.9 18 240 A S S S+ 0 0 1 213,-0.3 24,-0.4 1,-0.2 -1,-0.1 0.392 91.6 50.5 -96.4 3.9 94.6 -65.1 14.7 19 241 A R S S+ 0 0 0 1,-0.4 84,-0.3 22,-0.1 -1,-0.2 0.452 120.3 19.6-119.3 -9.9 95.0 -62.9 11.7 20 242 A F S S- 0 0 2 2,-0.2 2,-2.4 207,-0.1 -1,-0.4 -0.960 88.6-102.5-159.6 142.4 92.4 -64.5 9.4 21 243 A P S S+ 0 0 21 0, 0.0 -3,-0.1 0, 0.0 38,-0.1 -0.423 82.5 100.8 -80.9 78.7 89.5 -66.7 10.2 22 244 A I S S- 0 0 6 -2,-2.4 -5,-3.3 -5,-0.3 -2,-0.2 -0.969 75.9 -87.9-148.3 156.6 91.0 -70.1 9.1 23 245 A P B -A 16 0A 24 0, 0.0 192,-0.3 0, 0.0 -7,-0.3 -0.293 43.2-109.3 -65.5 149.3 92.6 -73.1 10.9 24 246 A L - 0 0 4 -9,-2.2 190,-0.2 -12,-0.4 3,-0.1 -0.326 34.9-179.4 -62.8 159.9 96.3 -73.2 11.7 25 247 A E - 0 0 72 188,-2.3 2,-0.3 1,-0.5 189,-0.2 0.614 51.8 -4.0-126.0 -43.9 98.3 -75.8 9.6 26 248 A K E -B 213 0B 68 187,-1.7 187,-2.6 -14,-0.1 -1,-0.5 -0.962 60.6-110.9-153.7 157.5 102.0 -75.9 10.4 27 249 A L E -B 212 0B 0 -2,-0.3 258,-1.5 258,-0.2 2,-0.4 -0.794 36.1-172.9 -93.2 138.4 104.7 -74.3 12.4 28 250 A F E -BC 211 284B 18 183,-2.6 183,-3.8 -2,-0.4 2,-0.4 -0.998 9.4-175.1-135.8 136.3 107.3 -72.3 10.5 29 251 A T E +BC 210 283B 0 254,-2.2 254,-3.2 -2,-0.4 181,-0.1 -0.957 18.1 140.7-123.6 150.7 110.6 -70.6 11.6 30 252 A G - 0 0 3 179,-0.6 179,-0.5 -2,-0.4 252,-0.2 -0.950 54.6 -71.2-168.7 173.2 112.9 -68.4 9.5 31 253 A P - 0 0 62 0, 0.0 177,-0.1 0, 0.0 3,-0.1 -0.469 38.3-167.9 -73.6 149.9 115.0 -65.2 9.9 32 254 A S + 0 0 14 -2,-0.1 3,-0.5 1,-0.1 5,-0.3 0.063 54.0 100.1-132.4 30.0 113.2 -62.0 10.2 33 255 A S S S+ 0 0 128 1,-0.2 -1,-0.1 3,-0.1 168,-0.0 0.647 77.7 63.6 -94.3 -12.1 115.5 -59.0 9.8 34 256 A A S S+ 0 0 96 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.435 110.5 36.6 -88.9 0.6 114.5 -58.3 6.2 35 257 A F S S- 0 0 73 -3,-0.5 2,-0.8 2,-0.0 147,-0.1 -0.942 84.3-106.1-143.5 173.1 111.0 -57.6 7.2 36 258 A V - 0 0 79 145,-0.5 2,-1.6 -2,-0.3 -3,-0.1 -0.844 20.2-159.0-104.5 107.9 108.9 -55.9 10.0 37 259 A V B +E 200 0C 3 -2,-0.8 163,-2.3 163,-0.5 144,-0.1 -0.672 45.7 130.2 -85.4 91.7 107.1 -58.3 12.2 38 260 A Q + 0 0 47 -2,-1.6 -1,-0.2 161,-0.2 159,-0.1 -0.136 24.7 164.6-138.3 48.0 104.5 -56.0 13.5 39 261 A P - 0 0 2 0, 0.0 65,-0.1 0, 0.0 142,-0.0 -0.260 25.1-156.2 -70.4 154.2 101.1 -57.6 13.1 40 262 A Q S S+ 0 0 0 61,-0.1 13,-1.9 12,-0.1 14,-1.0 0.566 71.0 68.7-108.8 -14.9 98.2 -56.1 15.1 41 263 A N S S+ 0 0 2 1,-0.2 -22,-0.1 12,-0.2 -23,-0.1 -0.639 95.5 32.3 -94.5 160.6 95.9 -59.0 15.3 42 264 A G S S+ 0 0 1 -24,-0.4 2,-0.5 -2,-0.2 188,-0.3 0.909 86.4 137.9 59.4 39.8 96.7 -62.0 17.4 43 265 A R + 0 0 2 8,-0.4 8,-3.3 -3,-0.4 2,-0.3 -0.939 15.0 137.1-127.8 110.3 98.6 -59.8 19.9 44 266 A C B -F 50 0D 0 -2,-0.5 6,-0.2 229,-0.3 2,-0.1 -0.995 47.8-115.5-152.1 143.8 98.2 -60.4 23.7 45 267 A T > - 0 0 26 4,-2.1 3,-2.6 -2,-0.3 4,-0.3 -0.482 35.7-108.3 -82.8 160.0 100.5 -60.5 26.6 46 268 A T T 3 S+ 0 0 1 225,-3.4 198,-0.4 1,-0.3 -1,-0.1 0.733 121.2 56.0 -60.6 -17.1 101.0 -63.7 28.5 47 269 A D T 3 S- 0 0 73 224,-0.4 -1,-0.3 196,-0.2 225,-0.1 0.168 127.6 -92.6-103.0 20.7 99.0 -62.2 31.3 48 270 A G S < S+ 0 0 11 -3,-2.6 2,-0.6 1,-0.2 -2,-0.1 0.829 72.6 141.2 89.8 35.6 96.0 -61.4 29.1 49 271 A A - 0 0 41 -4,-0.3 -4,-2.1 0, 0.0 -1,-0.2 -0.939 41.9-139.2-115.5 126.3 96.2 -58.0 27.7 50 272 A L B -F 44 0D 56 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.3 -0.477 23.4-170.2 -78.4 140.5 95.1 -57.5 24.2 51 273 A L > + 0 0 47 -8,-3.3 3,-2.1 -2,-0.2 -8,-0.4 -0.795 47.8 1.6-122.3 171.3 97.3 -55.2 22.1 52 274 A G T 3 S- 0 0 13 143,-0.3 -11,-0.2 -2,-0.3 45,-0.2 -0.281 126.5 -31.4 59.2-127.2 97.0 -53.6 18.7 53 275 A T T 3 S+ 0 0 0 -13,-1.9 47,-1.9 42,-0.1 -1,-0.3 0.244 96.5 139.9-110.3 9.9 93.7 -54.4 17.0 54 276 A T < + 0 0 4 -3,-2.1 2,-0.2 -14,-1.0 -13,-0.1 -0.277 22.0 167.6 -63.8 143.4 93.4 -57.8 18.7 55 277 A Q - 0 0 7 2,-0.1 -13,-0.2 -5,-0.0 182,-0.1 -0.844 41.6-106.3-152.9 166.0 90.0 -58.9 19.9 56 278 A L S S+ 0 0 15 -2,-0.2 181,-0.1 180,-0.1 578,-0.1 0.869 82.3 94.5 -83.7 -30.4 88.4 -62.2 21.1 57 279 A S - 0 0 9 1,-0.2 -2,-0.1 3,-0.1 578,-0.1 -0.438 53.6-162.0 -67.3 123.7 86.1 -63.4 18.3 58 280 A P S S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.590 91.1 44.9 -79.9 -10.3 87.9 -65.8 16.0 59 281 A V S S+ 0 0 9 1,-0.1 2,-0.3 -38,-0.1 -2,-0.1 0.695 98.2 68.0-101.5 -23.0 85.3 -65.3 13.3 60 282 A D S S+ 0 0 6 -40,-0.1 2,-0.5 2,-0.1 3,-0.4 -0.088 72.3 121.2 -84.7 35.1 85.0 -61.5 13.4 61 283 A I S S+ 0 0 1 -2,-0.3 40,-0.1 -3,-0.2 3,-0.1 -0.886 82.8 2.0-101.4 130.1 88.5 -61.0 12.0 62 284 A C S S+ 0 0 0 38,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.749 101.8 129.9 67.7 21.8 88.9 -59.1 8.8 63 285 A T - 0 0 10 -3,-0.4 2,-0.3 37,-0.2 -1,-0.3 -0.746 40.5-162.1 -97.4 160.2 85.2 -58.6 8.7 64 286 A F E +G 161 0E 6 97,-0.8 97,-3.4 -2,-0.3 2,-0.3 -0.981 8.8 178.3-136.8 149.4 83.5 -55.2 8.2 65 287 A R E +G 160 0E 19 17,-0.4 17,-2.7 -2,-0.3 2,-0.3 -0.992 29.2 87.1-154.1 153.0 80.0 -54.0 9.0 66 288 A G E S-GH 159 81E 3 93,-1.9 93,-2.9 -2,-0.3 2,-0.3 -0.982 75.0 -44.8 152.6-158.1 78.1 -50.7 8.7 67 289 A D E - 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