==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 03-JAN-11 3Q6Q . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK VIRUS; . AUTHOR G.S.HANSMAN,C.BIERTUMPFEL,L.CHEN,I.GEORGIEV,J.S.MCLELLAN,K.K . 625 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 2 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 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 . 10 3 6 7 0 3 7 0 1 0 1 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 1 0 2 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 1 224 A S 0 0 106 0, 0.0 250,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.2 33.9 7.7 -7.7 2 225 A K - 0 0 104 248,-0.1 247,-0.0 1,-0.1 0, 0.0 -0.445 360.0-106.3 -59.4 126.4 33.2 5.5 -4.7 3 226 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.288 31.9-116.3 -58.9 137.1 31.2 2.5 -6.0 4 227 A F + 0 0 8 248,-0.1 2,-0.3 -3,-0.1 42,-0.1 -0.530 42.2 171.5 -74.3 139.6 27.5 2.5 -5.1 5 228 A T - 0 0 54 -2,-0.2 246,-0.1 240,-0.0 244,-0.1 -0.981 26.3-146.2-145.1 156.8 26.3 -0.4 -2.9 6 229 A L - 0 0 16 -2,-0.3 296,-0.1 294,-0.1 236,-0.1 -0.870 38.8 -98.1-113.2 155.2 23.2 -1.6 -1.0 7 230 A P - 0 0 8 0, 0.0 2,-1.0 0, 0.0 293,-0.1 -0.310 33.4-117.2 -64.0 160.1 23.5 -3.5 2.3 8 231 A I + 0 0 99 291,-0.1 2,-0.4 293,-0.0 293,-0.1 -0.752 60.7 141.6-100.7 84.8 23.2 -7.3 2.0 9 232 A L - 0 0 17 -2,-1.0 291,-0.4 291,-0.2 5,-0.1 -0.989 44.7-135.5-131.5 131.2 20.0 -7.8 4.1 10 233 A T > - 0 0 28 -2,-0.4 3,-2.2 289,-0.1 287,-0.2 -0.304 38.1-101.0 -73.4 166.7 17.2 -10.2 3.5 11 234 A L G > S+ 0 0 9 287,-1.0 3,-1.5 285,-0.5 12,-0.4 0.866 125.2 59.4 -56.5 -35.8 13.6 -8.9 3.9 12 235 A G G 3 S+ 0 0 38 284,-2.1 -1,-0.3 1,-0.3 360,-0.2 0.417 103.8 51.4 -75.4 1.7 13.6 -10.6 7.4 13 236 A E G < S+ 0 0 41 -3,-2.2 2,-0.3 283,-0.2 -1,-0.3 0.125 96.2 89.4-120.3 14.8 16.6 -8.4 8.4 14 237 A L < - 0 0 4 -3,-1.5 9,-2.3 9,-0.2 2,-0.3 -0.840 56.5-155.3-115.6 151.2 15.0 -5.1 7.4 15 238 A T B -A 22 0A 2 -2,-0.3 225,-2.3 7,-0.3 226,-0.4 -0.907 27.8 -97.8-124.8 156.6 12.9 -2.6 9.3 16 239 A N - 0 0 1 5,-3.2 5,-0.3 -2,-0.3 25,-0.1 -0.407 17.7-152.4 -70.2 142.2 10.4 0.1 8.2 17 240 A S S S+ 0 0 0 221,-0.3 24,-0.3 1,-0.1 25,-0.1 0.484 93.6 50.2 -91.9 -2.9 11.6 3.7 7.9 18 241 A R S S+ 0 0 0 1,-0.4 88,-0.3 22,-0.1 -1,-0.1 0.548 123.0 11.6-113.0 -12.9 8.1 5.1 8.6 19 242 A F S S- 0 0 0 2,-0.2 2,-2.0 215,-0.1 -1,-0.4 -0.945 88.0 -97.1-159.0 148.1 7.1 3.2 11.8 20 243 A P S S+ 0 0 35 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.454 81.1 116.6 -74.2 82.5 9.2 1.0 14.1 21 244 A L - 0 0 0 -2,-2.0 -5,-3.2 -5,-0.3 -2,-0.2 -0.972 68.4-105.3-144.3 149.7 8.2 -2.3 12.6 22 245 A P B -A 15 0A 20 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.480 45.4-100.9 -70.4 151.9 9.9 -5.2 10.8 23 246 A I - 0 0 8 -9,-2.3 198,-0.2 -12,-0.4 -9,-0.2 -0.654 40.8-179.1 -69.9 126.8 9.4 -5.3 7.0 24 247 A D - 0 0 56 196,-2.6 2,-0.3 -2,-0.4 197,-0.2 0.842 56.5 -15.4 -96.2 -43.1 6.8 -8.0 6.4 25 248 A V E -B 220 0B 38 195,-1.8 195,-2.9 -14,-0.1 -1,-0.3 -0.990 61.3-104.9-156.3 157.1 6.5 -8.1 2.6 26 249 A L E -BC 219 292B 2 266,-0.5 266,-2.5 -2,-0.3 2,-0.3 -0.671 47.6-170.4 -80.7 150.0 7.2 -6.3 -0.7 27 250 A Y E -BC 218 291B 31 191,-2.1 191,-3.1 -2,-0.3 2,-0.3 -0.995 20.3-166.2-151.3 141.7 4.1 -4.7 -2.0 28 251 A T E + C 0 290B 0 262,-1.9 262,-2.8 -2,-0.3 189,-0.1 -0.942 9.3 175.9-127.3 155.7 2.6 -2.9 -5.1 29 252 A N > + 0 0 45 187,-0.5 3,-1.8 -2,-0.3 260,-0.2 -0.474 6.1 176.8-154.8 75.7 -0.6 -0.9 -5.7 30 253 A P T 3 S+ 0 0 43 0, 0.0 259,-0.1 0, 0.0 186,-0.1 0.735 76.8 55.7 -58.0 -29.4 -0.6 0.5 -9.3 31 254 A N T 3 S+ 0 0 146 184,-0.0 258,-0.0 2,-0.0 184,-0.0 0.341 71.7 140.3 -93.9 8.0 -4.0 2.1 -9.1 32 255 A E < - 0 0 65 -3,-1.8 4,-0.1 1,-0.2 -3,-0.1 -0.260 34.4-166.9 -47.5 124.6 -3.3 4.2 -6.1 33 256 A S + 0 0 122 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.685 56.8 94.3 -92.8 -19.9 -4.9 7.6 -6.6 34 257 A A S S- 0 0 32 1,-0.1 2,-0.4 155,-0.0 155,-0.1 -0.377 84.0-108.9 -73.7 150.0 -3.1 9.4 -3.8 35 258 A I - 0 0 118 153,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.680 30.7-135.5 -74.0 126.5 0.1 11.4 -4.3 36 259 A V B +E 207 0C 9 171,-0.5 171,-2.3 -2,-0.4 152,-0.1 -0.783 49.2 140.2 -89.6 108.4 2.9 9.5 -2.6 37 260 A Q + 0 0 49 -2,-0.8 167,-0.1 169,-0.2 169,-0.1 -0.241 20.0 170.5-147.5 50.2 5.0 12.0 -0.7 38 261 A C - 0 0 0 1,-0.1 69,-0.1 3,-0.1 166,-0.1 -0.245 23.0-153.8 -63.6 156.4 6.0 10.5 2.6 39 262 A Q S S+ 0 0 0 67,-0.1 13,-1.5 12,-0.1 14,-0.6 0.622 71.4 69.6-113.5 -21.8 8.5 12.4 4.7 40 263 A N S S+ 0 0 3 1,-0.2 -22,-0.1 12,-0.2 -23,-0.1 -0.724 96.2 31.8 -92.3 153.5 10.2 9.6 6.8 41 264 A G S S+ 0 0 1 -24,-0.3 2,-0.5 -2,-0.3 197,-0.2 0.852 84.8 143.0 67.7 37.0 12.5 7.1 5.0 42 265 A R + 0 0 0 8,-0.4 8,-2.5 -3,-0.4 2,-0.3 -0.941 11.3 139.0-115.3 118.3 13.5 9.7 2.5 43 266 A C B -F 49 0D 0 -2,-0.5 6,-0.2 236,-0.4 2,-0.1 -0.955 44.6-124.3-158.3 132.5 17.1 9.7 1.3 44 267 A T > - 0 0 11 4,-2.1 3,-2.0 -2,-0.3 235,-0.2 -0.352 34.5-107.4 -73.8 162.7 18.8 10.1 -2.0 45 268 A L T 3 S+ 0 0 1 233,-2.5 206,-0.4 1,-0.3 -1,-0.1 0.753 120.5 57.7 -63.4 -22.5 21.1 7.4 -3.4 46 269 A D T 3 S- 0 0 60 232,-0.3 -1,-0.3 204,-0.2 233,-0.1 0.250 126.7 -95.9 -95.5 13.5 24.0 9.7 -2.7 47 270 A G S < S+ 0 0 9 -3,-2.0 2,-0.7 1,-0.2 -2,-0.1 0.606 71.8 145.0 95.1 15.3 23.2 10.0 1.0 48 271 A E - 0 0 109 1,-0.0 -4,-2.1 0, 0.0 -1,-0.2 -0.782 40.9-141.1 -91.1 114.2 21.1 13.2 1.4 49 272 A L B -F 43 0D 50 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.3 -0.465 25.1-172.1 -69.7 141.0 18.4 12.9 4.1 50 273 A Q > + 0 0 36 -8,-2.5 3,-2.0 -2,-0.1 -8,-0.4 -0.823 42.2 5.3-131.4 171.6 15.2 14.6 3.2 51 274 A G T 3 S- 0 0 10 151,-0.3 49,-0.2 -2,-0.3 -11,-0.2 -0.337 125.0 -30.8 60.3-131.4 11.8 15.5 4.7 52 275 A T T 3 S+ 0 0 0 -13,-1.5 51,-2.5 46,-0.1 -1,-0.2 0.102 96.7 143.3-103.3 18.9 11.7 14.6 8.4 53 276 A T < + 0 0 4 -3,-2.0 2,-0.3 -14,-0.6 -13,-0.1 -0.405 19.3 167.6 -71.9 130.6 14.1 11.7 8.0 54 277 A Q - 0 0 19 -2,-0.2 -13,-0.2 2,-0.1 190,-0.1 -0.812 39.6-114.0-131.7 175.9 16.6 10.9 10.7 55 278 A L S S+ 0 0 9 -2,-0.3 189,-0.1 188,-0.1 274,-0.1 0.714 78.2 95.3 -89.8 -22.8 18.9 7.9 11.4 56 279 A L >> - 0 0 17 1,-0.2 3,-1.3 272,-0.2 4,-0.6 -0.550 57.9-152.9 -79.3 127.5 17.6 6.3 14.6 57 280 A P G >4 S+ 0 0 11 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.844 102.7 56.0 -59.3 -29.2 15.1 3.4 14.5 58 281 A T G 34 S+ 0 0 36 1,-0.2 -2,-0.1 279,-0.1 -3,-0.0 0.594 99.7 60.7 -77.2 -13.1 14.0 4.7 17.9 59 282 A G G X4 S+ 0 0 2 -3,-1.3 3,-1.9 2,-0.1 2,-0.4 0.604 72.9 111.3 -89.0 -14.4 13.3 8.2 16.5 60 283 A I T << S- 0 0 2 -3,-0.7 44,-0.1 -4,-0.6 3,-0.1 -0.489 101.0 -9.9 -71.8 118.7 10.7 7.2 14.0 61 284 A C T 3 S+ 0 0 0 42,-2.2 -1,-0.3 -2,-0.4 2,-0.3 0.744 108.6 134.5 62.5 25.4 7.3 8.6 15.1 62 285 A A < - 0 0 10 -3,-1.9 2,-0.3 41,-0.3 -1,-0.2 -0.692 37.9-162.7 -99.3 155.4 8.9 9.5 18.4 63 286 A F E -G 171 0E 6 108,-1.1 108,-2.6 -2,-0.3 2,-0.4 -0.990 6.4-169.6-134.0 150.8 8.6 12.7 20.4 64 287 A R E +G 170 0E 109 21,-0.5 21,-2.7 -2,-0.3 2,-0.3 -0.993 38.8 88.7-132.9 139.8 10.6 14.3 23.2 65 288 A G E -GH 169 84E 7 104,-2.3 104,-3.0 -2,-0.4 2,-0.4 -0.917 66.2 -65.7 174.0-144.2 9.5 17.3 25.2 66 289 A K E -GH 168 83E 100 17,-1.4 17,-2.7 -2,-0.3 2,-0.2 -0.991 34.2-120.8-143.9 133.7 7.6 18.4 28.3 67 290 A V E - H 0 82E 1 100,-1.2 99,-3.0 -2,-0.4 15,-0.3 -0.498 24.2-173.4 -66.0 137.4 3.9 18.3 29.2 68 291 A T E - 0 0 50 13,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.861 55.1 -40.8 -95.6 -61.5 2.6 21.8 29.9 69 292 A Q E - H 0 81E 121 12,-0.5 12,-2.5 96,-0.1 -1,-0.4 -0.978 60.0 -85.0-157.1 165.4 -0.9 21.2 31.2 70 293 A Q E - H 0 80E 82 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.555 50.6-159.5 -69.1 144.6 -4.1 19.2 30.8 71 294 A V E - H 0 79E 41 8,-2.5 8,-0.6 -2,-0.2 2,-0.2 -0.925 17.3-110.3-130.5 154.7 -6.3 20.8 28.1 72 295 A Q + 0 0 196 -2,-0.3 2,-0.3 6,-0.1 6,-0.1 -0.594 37.8 167.3 -81.9 145.5 -9.9 20.6 27.2 73 296 A D - 0 0 44 -2,-0.2 6,-0.1 2,-0.2 4,-0.0 -0.945 39.3-132.6-155.4 138.5 -10.9 18.9 24.0 74 297 A E S S+ 0 0 185 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.809 81.9 94.0 -66.2 -26.5 -14.4 17.8 22.9 75 298 A H S S- 0 0 111 1,-0.1 -2,-0.2 -3,-0.1 4,-0.1 -0.194 90.7 -83.7 -68.8 157.3 -13.1 14.4 21.9 76 299 A R S S+ 0 0 239 2,-0.0 2,-0.2 80,-0.0 -1,-0.1 -0.226 88.2 30.1 -61.5 144.4 -13.2 11.4 24.3 77 300 A G S S- 0 0 45 -3,-0.1 2,-0.5 79,-0.1 81,-0.2 -0.476 95.7 -55.5 107.4-175.2 -10.5 11.0 26.9 78 301 A T E - I 0 157E 18 79,-2.4 79,-2.8 81,-0.2 2,-0.3 -0.916 54.9-150.3-108.0 132.5 -8.1 13.2 28.9 79 302 A H E -HI 71 156E 14 -8,-0.6 -8,-2.5 -2,-0.5 2,-0.4 -0.809 13.4-173.7-115.6 147.6 -6.0 15.5 26.8 80 303 A W E -HI 70 155E 5 75,-2.8 75,-2.4 -2,-0.3 2,-0.4 -0.995 16.8-140.2-139.0 137.3 -2.5 17.0 27.4 81 304 A N E -HI 69 154E 30 -12,-2.5 -13,-2.7 -2,-0.4 -12,-0.5 -0.795 22.6-175.2 -92.9 139.6 -0.4 19.6 25.6 82 305 A M E -HI 67 153E 0 71,-3.0 71,-2.6 -2,-0.4 -15,-0.3 -0.999 21.8-134.9-133.4 136.0 3.3 19.0 25.3 83 306 A T E -HI 66 152E 50 -17,-2.7 -17,-1.4 -2,-0.4 2,-0.4 -0.549 27.7-145.6 -72.3 151.8 6.1 21.1 23.9 84 307 A V E -H 65 0E 7 67,-2.1 8,-0.4 -19,-0.2 -19,-0.3 -0.972 16.0-173.9-124.8 142.2 8.4 19.2 21.7 85 308 A T - 0 0 36 -21,-2.7 -21,-0.5 -2,-0.4 5,-0.1 -0.540 46.2 -69.9-110.0-178.6 12.1 19.6 21.1 86 309 A N > - 0 0 39 4,-2.7 3,-2.1 -2,-0.2 -1,-0.2 -0.392 55.0-105.4 -62.1 157.2 14.5 17.9 18.7 87 310 A L T 3 S+ 0 0 42 15,-0.3 -1,-0.1 1,-0.3 -22,-0.1 0.790 121.7 59.8 -59.6 -26.0 14.9 14.2 19.6 88 311 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 -24,-0.1 -2,-0.0 0.398 120.9-107.2 -84.7 4.0 18.4 15.1 20.9 89 312 A G S < S+ 0 0 32 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.241 79.1 126.9 94.8 -13.2 16.9 17.4 23.4 90 313 A T S S- 0 0 66 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.430 73.4 -87.5 -73.8 152.7 18.0 20.7 21.8 91 314 A P - 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