==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 11-MAY-11 3RY8 . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK VIRUS; . AUTHOR G.S.HANSMAN,J.S.MCLELLAN,P.D KWONG . 611 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 57 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 4 6 6 3 1 6 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 2 2 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 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 1 225 A K 0 0 142 0, 0.0 244,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 125.9 33.2 4.8 -5.3 2 226 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 245,-0.1 -0.311 360.0-116.3 -64.7 139.6 31.5 1.5 -6.1 3 227 A F + 0 0 10 245,-0.2 2,-0.3 243,-0.1 42,-0.1 -0.515 42.0 169.9 -71.7 137.6 27.9 1.1 -5.2 4 228 A T - 0 0 57 -2,-0.2 243,-0.1 237,-0.1 241,-0.1 -0.969 23.4-149.4-144.1 160.2 27.0 -1.5 -2.6 5 229 A L - 0 0 14 -2,-0.3 293,-0.1 291,-0.1 233,-0.1 -0.902 39.0 -90.5-120.1 158.4 24.1 -2.7 -0.5 6 230 A P - 0 0 4 0, 0.0 290,-0.2 0, 0.0 -1,-0.0 -0.286 26.2-138.6 -59.2 152.8 24.2 -4.3 3.0 7 231 A I + 0 0 90 288,-0.1 2,-0.1 290,-0.1 290,-0.0 0.223 57.5 135.0-100.2 15.3 24.4 -8.1 2.9 8 232 A L - 0 0 4 1,-0.1 288,-0.3 4,-0.1 5,-0.1 -0.395 55.0-126.2 -58.5 132.8 21.9 -8.4 5.8 9 233 A T > - 0 0 23 286,-0.1 3,-2.4 -2,-0.1 286,-0.2 -0.217 29.2 -93.8 -78.9 173.1 19.4 -11.1 5.0 10 234 A L G > S+ 0 0 8 284,-1.8 3,-1.4 282,-0.3 12,-0.3 0.904 128.1 53.1 -60.7 -35.5 15.6 -10.5 5.1 11 235 A G G 3 S+ 0 0 38 281,-2.2 -1,-0.3 1,-0.3 356,-0.1 0.375 106.4 55.1 -80.8 5.7 15.4 -11.7 8.7 12 236 A E G < S+ 0 0 39 -3,-2.4 2,-0.3 280,-0.2 -1,-0.3 0.099 94.6 89.2-118.7 15.2 18.2 -9.2 9.6 13 237 A L < - 0 0 6 -3,-1.4 9,-2.5 9,-0.2 2,-0.3 -0.825 58.2-151.1-117.3 154.6 16.4 -6.1 8.3 14 238 A T B -A 21 0A 2 -2,-0.3 222,-2.3 7,-0.3 223,-0.4 -0.891 26.5 -98.5-125.5 156.1 13.9 -3.6 9.8 15 239 A N - 0 0 1 5,-3.2 5,-0.3 -2,-0.3 25,-0.1 -0.418 17.8-152.5 -69.4 140.2 11.2 -1.5 8.4 16 240 A S S S+ 0 0 1 218,-0.4 24,-0.3 1,-0.1 -1,-0.1 0.453 93.2 50.7 -91.1 -1.7 11.9 2.2 7.7 17 241 A R S S+ 0 0 0 1,-0.4 85,-0.3 22,-0.1 -1,-0.1 0.535 122.8 10.7-112.9 -12.0 8.3 3.3 8.3 18 242 A F S S- 0 0 0 2,-0.2 2,-2.0 212,-0.1 -1,-0.4 -0.945 88.4 -96.2-159.9 149.9 7.6 1.7 11.7 19 243 A P S S+ 0 0 35 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.457 81.2 116.0 -77.1 81.7 9.9 0.0 14.3 20 244 A L - 0 0 0 -2,-2.0 -5,-3.2 -5,-0.3 -2,-0.2 -0.976 68.3-105.4-142.2 150.0 9.2 -3.6 13.1 21 245 A P B -A 14 0A 34 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.452 45.6 -99.5 -70.2 152.4 11.3 -6.4 11.6 22 246 A I + 0 0 8 -9,-2.5 195,-0.2 -12,-0.3 -9,-0.2 -0.662 42.3 179.7 -69.0 124.1 10.8 -7.1 7.9 23 247 A D - 0 0 60 193,-2.5 2,-0.3 -2,-0.5 194,-0.2 0.840 56.4 -14.8 -92.5 -41.8 8.5 -10.1 7.7 24 248 A V E -B 216 0B 27 192,-1.8 192,-3.1 -14,-0.1 -1,-0.3 -0.986 60.9-107.8-160.1 151.7 8.1 -10.7 3.9 25 249 A L E -B 215 0B 4 263,-0.5 263,-2.3 -2,-0.3 2,-0.3 -0.676 46.5-170.2 -79.2 151.9 8.6 -9.1 0.5 26 250 A Y E -BC 214 287B 33 188,-2.0 188,-3.0 -2,-0.3 2,-0.3 -0.998 19.7-165.0-152.5 142.5 5.3 -8.1 -1.0 27 251 A T E + C 0 286B 0 259,-2.0 259,-2.7 -2,-0.3 186,-0.1 -0.941 10.2 175.4-125.3 158.8 3.6 -6.9 -4.3 28 252 A N > + 0 0 46 184,-0.5 3,-1.8 -2,-0.3 257,-0.2 -0.524 6.0 178.6-155.9 76.8 0.2 -5.4 -5.1 29 253 A P T 3 S+ 0 0 49 0, 0.0 183,-0.1 0, 0.0 256,-0.1 0.768 78.4 54.2 -60.2 -27.9 0.2 -4.5 -8.8 30 254 A N T 3 S+ 0 0 155 181,-0.0 255,-0.0 2,-0.0 181,-0.0 0.285 72.5 143.6 -96.6 14.7 -3.4 -3.2 -8.8 31 255 A E < - 0 0 65 -3,-1.8 4,-0.1 1,-0.1 -3,-0.0 -0.240 35.0-162.7 -45.1 126.8 -2.9 -0.7 -5.9 32 256 A S + 0 0 120 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.658 58.4 91.5 -92.9 -16.5 -5.0 2.4 -6.7 33 257 A A S S- 0 0 32 1,-0.1 2,-0.4 152,-0.0 152,-0.1 -0.438 83.0-109.9 -78.7 150.6 -3.3 4.8 -4.3 34 258 A I - 0 0 116 -2,-0.1 2,-0.8 150,-0.1 -1,-0.1 -0.678 31.1-135.7 -70.6 127.7 -0.4 7.0 -5.1 35 259 A V B +E 203 0C 9 168,-0.5 168,-2.3 -2,-0.4 149,-0.1 -0.808 49.3 139.7 -93.0 108.6 2.7 5.6 -3.2 36 260 A Q + 0 0 51 -2,-0.8 164,-0.1 166,-0.2 166,-0.1 -0.238 20.2 170.0-148.5 47.0 4.4 8.6 -1.7 37 261 A C - 0 0 1 1,-0.1 66,-0.1 3,-0.1 147,-0.1 -0.232 23.6-152.9 -60.7 155.9 5.6 7.6 1.8 38 262 A Q S S+ 0 0 0 64,-0.1 13,-1.4 62,-0.1 14,-0.6 0.622 71.4 69.7-113.5 -21.0 8.0 10.0 3.5 39 263 A N S S+ 0 0 3 1,-0.2 -22,-0.1 12,-0.2 -23,-0.1 -0.725 96.1 32.4 -94.9 153.0 10.0 7.7 5.9 40 264 A G S S+ 0 0 1 -24,-0.3 2,-0.6 -2,-0.3 194,-0.3 0.867 85.0 142.4 68.8 35.7 12.4 5.3 4.4 41 265 A R + 0 0 0 8,-0.4 8,-2.4 -3,-0.4 2,-0.3 -0.955 11.4 139.1-115.3 116.2 13.3 7.7 1.5 42 266 A C B -F 48 0D 0 -2,-0.6 6,-0.2 233,-0.4 2,-0.1 -0.950 44.5-124.8-155.1 132.8 16.8 7.9 0.3 43 267 A T > - 0 0 10 4,-2.3 3,-2.1 -2,-0.3 232,-0.2 -0.377 33.5-108.8 -73.1 163.1 18.3 8.1 -3.1 44 268 A L T 3 S+ 0 0 1 230,-2.5 203,-0.4 1,-0.3 -1,-0.1 0.741 119.9 56.9 -66.9 -20.8 20.9 5.6 -4.2 45 269 A D T 3 S- 0 0 72 229,-0.3 -1,-0.3 201,-0.2 230,-0.1 0.291 127.6 -95.3 -95.9 11.2 23.6 8.2 -3.9 46 270 A G S < S+ 0 0 7 -3,-2.1 2,-0.7 1,-0.2 -2,-0.1 0.605 72.4 143.9 101.2 14.1 22.7 8.9 -0.3 47 271 A E - 0 0 107 0, 0.0 -4,-2.3 0, 0.0 -1,-0.2 -0.791 41.1-142.3 -90.1 111.5 20.3 11.9 -0.2 48 272 A L B -F 42 0D 48 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.3 -0.503 24.6-170.9 -66.5 141.5 17.7 11.5 2.5 49 273 A Q > + 0 0 33 -8,-2.4 3,-2.0 -2,-0.2 -8,-0.4 -0.804 42.8 6.9-129.9 171.3 14.3 12.8 1.5 50 274 A G T 3 S- 0 0 10 148,-0.4 46,-0.2 -2,-0.3 -11,-0.2 -0.316 125.1 -31.5 63.1-131.2 10.9 13.4 3.1 51 275 A T T 3 S+ 0 0 0 -13,-1.4 48,-2.6 43,-0.1 -1,-0.2 0.088 95.9 144.4-105.4 21.2 10.9 13.1 6.9 52 276 A T < + 0 0 2 -3,-2.0 2,-0.3 -14,-0.6 46,-0.1 -0.405 18.9 168.3 -74.3 129.1 13.6 10.4 6.8 53 277 A Q - 0 0 21 -2,-0.2 -13,-0.2 2,-0.1 187,-0.1 -0.798 39.0-113.7-129.8 175.6 16.2 10.2 9.5 54 278 A L S S+ 0 0 10 -2,-0.3 186,-0.1 185,-0.1 270,-0.1 0.681 78.7 92.5 -90.8 -19.8 18.7 7.6 10.4 55 279 A L >> - 0 0 20 1,-0.2 3,-1.6 268,-0.1 4,-0.6 -0.615 58.5-151.7 -83.3 131.0 17.7 6.2 13.8 56 280 A P G >4 S+ 0 0 10 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.854 103.2 56.9 -60.6 -30.8 15.5 3.1 14.0 57 281 A T G 34 S+ 0 0 37 1,-0.2 -2,-0.0 275,-0.1 -3,-0.0 0.554 100.3 59.8 -75.7 -9.9 14.3 4.6 17.4 58 282 A G G X4 S+ 0 0 2 -3,-1.6 3,-1.7 2,-0.1 2,-0.4 0.568 73.4 111.0 -93.0 -12.0 13.3 7.8 15.6 59 283 A I T << S- 0 0 3 -3,-0.8 41,-0.1 -4,-0.6 3,-0.1 -0.531 100.8 -8.4 -73.0 120.6 10.8 6.3 13.2 60 284 A C T 3 S+ 0 0 0 39,-2.2 -1,-0.3 -2,-0.4 2,-0.3 0.704 108.4 134.4 61.3 23.6 7.3 7.5 14.3 61 285 A A < - 0 0 9 -3,-1.7 2,-0.3 38,-0.2 -1,-0.3 -0.664 38.2-162.8 -94.9 155.5 8.8 9.0 17.4 62 286 A F E -G 167 0E 4 105,-1.1 105,-2.7 -2,-0.3 2,-0.4 -0.992 5.3-170.6-134.0 149.5 8.2 12.4 18.9 63 287 A R E +G 166 0E 114 18,-0.5 18,-2.6 -2,-0.3 2,-0.3 -0.982 38.7 89.2-131.2 141.9 10.1 14.4 21.5 64 288 A G E -GH 165 80E 6 101,-2.2 101,-2.9 -2,-0.4 2,-0.3 -0.929 67.1 -67.4 171.1-142.8 8.8 17.6 23.1 65 289 A K E -GH 164 79E 99 14,-1.7 14,-2.6 -2,-0.3 2,-0.2 -0.987 33.0-120.9-145.4 134.1 6.9 18.8 26.1 66 290 A V E - H 0 78E 1 97,-1.2 96,-2.9 -2,-0.3 12,-0.3 -0.505 24.8-173.0 -67.3 137.5 3.3 18.5 27.2 67 291 A T E - 0 0 50 10,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.869 56.5 -34.1 -96.1 -62.4 1.8 22.0 27.6 68 292 A Q E - 0 0 125 9,-0.4 9,-2.7 93,-0.1 -1,-0.4 -0.985 61.2 -89.8-152.9 162.8 -1.7 21.3 29.0 69 293 A Q E - H 0 76E 107 -2,-0.3 2,-0.4 7,-0.2 7,-0.3 -0.483 46.7-138.2 -64.1 146.4 -4.6 18.9 29.1 70 294 A V E H 0 75E 37 5,-2.6 5,-0.7 1,-0.2 -1,-0.0 -0.904 360.0 360.0-119.0 142.9 -7.1 19.8 26.5 71 295 A Q 0 0 246 -2,-0.4 -1,-0.2 3,-0.1 4,-0.1 0.882 360.0 360.0 -96.4 360.0 -10.9 19.8 26.8 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 300 A G 0 0 97 0, 0.0 2,-0.5 0, 0.0 81,-0.2 0.000 360.0 360.0 360.0 171.2 -10.3 9.7 25.8 74 301 A T E - I 0 153E 24 79,-2.4 79,-2.1 81,-0.2 2,-0.3 -0.811 360.0-150.9 -91.5 125.4 -8.3 12.3 27.7 75 302 A H E -HI 70 152E 78 -5,-0.7 -5,-2.6 -2,-0.5 2,-0.4 -0.758 12.8-171.3-106.1 151.9 -6.4 14.6 25.3 76 303 A W E -HI 69 151E 5 75,-2.4 75,-2.1 -2,-0.3 2,-0.4 -0.996 19.1-131.6-139.8 138.7 -3.1 16.4 25.9 77 304 A N E - I 0 150E 25 -9,-2.7 -10,-2.7 -2,-0.4 -9,-0.4 -0.777 24.6-171.1 -91.2 138.2 -1.3 19.0 23.8 78 305 A M E -HI 66 149E 0 71,-3.1 71,-2.5 -2,-0.4 -12,-0.3 -0.989 18.5-142.6-131.3 124.2 2.4 18.5 23.1 79 306 A T E -HI 65 148E 51 -14,-2.6 -14,-1.7 -2,-0.4 2,-0.4 -0.594 27.2-146.2 -72.4 142.6 4.9 20.9 21.6 80 307 A V E -H 64 0E 7 67,-2.0 8,-0.4 -16,-0.2 -16,-0.3 -0.962 17.1-175.2-119.9 137.3 7.3 18.9 19.4 81 308 A T - 0 0 35 -18,-2.6 -18,-0.5 -2,-0.4 5,-0.1 -0.514 45.1 -71.5-105.7 179.4 10.9 19.5 18.8 82 309 A N > - 0 0 39 4,-2.8 3,-2.1 -2,-0.2 -1,-0.2 -0.427 53.3-108.3 -61.9 156.5 13.4 17.9 16.6 83 310 A L T 3 S+ 0 0 41 15,-0.3 -1,-0.1 1,-0.3 -19,-0.1 0.788 120.8 60.7 -62.9 -26.2 14.3 14.4 17.9 84 311 A N T 3 S- 0 0 107 2,-0.1 -1,-0.3 -21,-0.1 -2,-0.0 0.413 121.4-108.1 -81.5 4.9 17.7 15.7 18.9 85 312 A G S < S+ 0 0 30 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.234 79.1 126.7 92.3 -13.6 16.0 18.3 21.2 86 313 A T S S- 0 0 67 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.426 73.3 -89.3 -73.8 150.9 16.7 21.4 19.2 87 314 A P - 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