==== 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 21-MAR-11 3R6J . COMPND 2 MOLECULE: VP1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK-LIKE VIRUS; . AUTHOR G.S.HANSMAN,C.BIERTUMPFEL,J.S.MCLELLAN,I.GEORGIEV,L.CHEN,T.Z . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 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 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 . 6 1 2 3 2 1 2 1 1 0 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 1 0 1 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 1 221 A G 0 0 112 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.2 10.4 -6.7 18.7 2 222 A P + 0 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.772 360.0 66.1 -68.8 -26.2 11.7 -8.2 15.4 3 223 A G S S- 0 0 59 1,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.645 87.1-109.6-102.7 156.3 9.3 -5.9 13.5 4 224 A S - 0 0 69 -2,-0.2 -1,-0.1 1,-0.1 237,-0.1 -0.505 33.3-104.3 -83.7 146.8 9.2 -2.1 13.2 5 225 A K - 0 0 104 -2,-0.2 -1,-0.1 235,-0.1 234,-0.0 -0.566 47.8-108.3 -66.5 123.2 6.6 0.2 14.7 6 226 A P - 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.276 32.2-114.8 -58.4 133.3 4.2 1.2 11.9 7 227 A F + 0 0 7 235,-0.1 2,-0.3 234,-0.0 285,-0.1 -0.426 41.0 179.4 -67.9 141.0 4.6 4.8 10.8 8 228 A T - 0 0 56 -2,-0.1 233,-0.1 227,-0.1 231,-0.1 -0.985 21.5-152.0-143.9 154.8 1.5 7.1 11.5 9 229 A L - 0 0 18 -2,-0.3 283,-0.1 281,-0.1 223,-0.1 -0.845 38.7 -93.5-116.9 159.9 0.4 10.7 11.1 10 230 A P - 0 0 19 0, 0.0 2,-1.2 0, 0.0 280,-0.2 -0.387 33.4-118.5 -70.0 154.6 -2.2 12.5 13.2 11 231 A I + 0 0 125 278,-0.1 2,-0.4 -2,-0.0 280,-0.1 -0.713 61.5 140.1 -94.4 84.9 -5.8 12.4 12.2 12 232 A L - 0 0 43 -2,-1.2 278,-0.4 278,-0.2 2,-0.1 -0.993 42.9-137.7-136.2 132.3 -6.3 16.2 11.7 13 233 A T > - 0 0 22 -2,-0.4 3,-2.3 276,-0.1 276,-0.2 -0.259 39.5 -92.7 -82.4 172.6 -8.2 18.1 9.0 14 234 A I G > S+ 0 0 25 274,-0.7 3,-1.0 271,-0.4 12,-0.2 0.837 126.9 54.0 -54.2 -35.0 -7.0 21.3 7.3 15 235 A G G 3 S+ 0 0 66 271,-0.3 -1,-0.3 1,-0.2 271,-0.1 0.317 103.5 56.9 -85.3 9.2 -8.9 23.3 9.9 16 236 A E G < S+ 0 0 101 -3,-2.3 2,-0.4 2,-0.0 -1,-0.2 0.073 88.2 98.2-124.6 21.2 -7.1 21.6 12.8 17 237 A L < - 0 0 9 -3,-1.0 9,-2.5 9,-0.2 2,-0.4 -0.887 56.4-148.4-118.0 145.8 -3.5 22.3 11.8 18 238 A T B -A 25 0A 31 -2,-0.4 212,-2.8 7,-0.3 213,-0.3 -0.882 26.5-111.0-111.5 139.7 -1.0 25.0 12.9 19 239 A N - 0 0 0 5,-3.0 5,-0.2 -2,-0.4 25,-0.1 -0.438 17.6-151.7 -65.5 138.5 1.7 26.5 10.7 20 240 A S S S+ 0 0 1 208,-0.4 24,-0.3 1,-0.2 -1,-0.1 0.439 93.2 49.0 -91.2 -0.5 5.2 25.5 11.9 21 241 A R S S+ 0 0 0 1,-0.4 86,-0.3 22,-0.1 -1,-0.2 0.483 121.8 20.1-116.5 -7.8 6.8 28.7 10.6 22 242 A F S S- 0 0 2 2,-0.2 2,-2.6 202,-0.1 -1,-0.4 -0.941 86.2-106.5-160.6 141.1 4.4 31.3 12.1 23 243 A P S S+ 0 0 36 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.339 83.2 94.9 -77.1 67.7 2.0 30.9 15.0 24 244 A V S S- 0 0 29 -2,-2.6 -5,-3.0 -5,-0.2 -2,-0.2 -0.946 79.3 -87.3-145.0 162.5 -1.3 30.9 13.1 25 245 A P B -A 18 0A 86 0, 0.0 -7,-0.3 0, 0.0 2,-0.3 -0.370 46.6-101.4 -69.4 152.9 -3.6 28.2 11.7 26 246 A I - 0 0 6 -9,-2.5 -9,-0.2 -12,-0.2 185,-0.2 -0.566 32.2-170.2 -66.9 134.8 -3.1 26.7 8.3 27 247 A D - 0 0 84 183,-2.6 2,-0.3 1,-0.3 184,-0.2 0.771 58.7 -27.5 -97.4 -33.4 -5.5 28.2 5.8 28 248 A E E -B 210 0B 44 182,-1.7 182,-2.9 255,-0.1 -1,-0.3 -0.978 61.4 -93.7-168.7 168.8 -5.0 26.0 2.8 29 249 A L E -BC 209 282B 2 253,-1.7 253,-3.7 -2,-0.3 2,-0.3 -0.778 41.9-173.5 -94.3 151.0 -2.7 23.7 0.9 30 250 A Y E -BC 208 281B 31 178,-2.3 178,-3.6 -2,-0.3 2,-0.4 -1.000 11.8-164.4-147.5 140.8 -0.6 25.2 -2.0 31 251 A T E +BC 207 280B 0 249,-1.6 249,-1.7 -2,-0.3 176,-0.2 -0.991 17.3 153.8-131.6 140.6 1.7 23.9 -4.7 32 252 A S E -B 206 0B 19 174,-0.9 174,-0.5 -2,-0.4 2,-0.4 -0.984 41.8-107.1-156.9 150.9 4.2 25.8 -6.9 33 253 A P - 0 0 50 0, 0.0 2,-1.2 0, 0.0 3,-0.3 -0.716 20.8-146.3 -84.1 128.7 7.5 25.1 -8.8 34 254 A N + 0 0 31 -2,-0.4 5,-0.1 1,-0.2 171,-0.0 -0.497 39.1 152.1 -92.6 65.3 10.6 26.6 -7.2 35 255 A E S S+ 0 0 155 -2,-1.2 -1,-0.2 1,-0.1 3,-0.0 0.904 83.8 7.0 -60.9 -45.2 12.4 27.3 -10.5 36 256 A S S S+ 0 0 105 -3,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.760 113.9 85.5-107.4 -37.6 14.5 30.2 -9.1 37 257 A L - 0 0 55 -4,-0.2 2,-0.5 1,-0.1 142,-0.0 -0.416 66.4-141.8 -74.7 140.2 13.7 30.1 -5.4 38 258 A V - 0 0 87 -2,-0.1 2,-0.8 140,-0.1 160,-0.1 -0.908 12.9-144.6-102.5 124.2 15.7 27.9 -3.0 39 259 A V B +I 197 0C 1 158,-0.6 158,-2.7 -2,-0.5 139,-0.1 -0.764 41.9 139.3 -96.9 105.5 13.6 26.3 -0.2 40 260 A Q + 0 0 41 -2,-0.8 154,-0.1 138,-0.3 -1,-0.1 -0.282 20.7 173.3-141.8 54.2 15.4 26.1 3.1 41 261 A P - 0 0 1 0, 0.0 153,-0.1 0, 0.0 67,-0.1 -0.260 19.7-158.4 -61.5 152.2 13.1 26.9 6.0 42 262 A Q S S+ 0 0 0 12,-0.1 13,-1.6 63,-0.1 14,-0.5 0.641 73.5 64.8-107.8 -23.7 14.6 26.4 9.4 43 263 A N S S+ 0 0 2 1,-0.2 -22,-0.1 11,-0.2 -23,-0.1 -0.694 98.1 33.5 -92.5 157.1 11.3 26.1 11.4 44 264 A G S S+ 0 0 1 -24,-0.3 2,-0.5 -2,-0.3 184,-0.3 0.882 85.0 139.8 65.1 38.5 8.9 23.3 10.7 45 265 A R + 0 0 0 8,-0.4 8,-2.2 -3,-0.4 2,-0.3 -0.967 13.5 141.8-117.6 124.5 11.8 20.9 10.0 46 266 A C B -J 52 0D 0 -2,-0.5 6,-0.2 223,-0.4 190,-0.0 -0.888 43.8-125.4-163.9 123.4 11.6 17.3 11.2 47 267 A A > - 0 0 7 4,-2.3 3,-2.2 -2,-0.3 222,-0.2 -0.303 37.3-106.7 -66.6 159.1 12.7 14.0 9.8 48 268 A L T 3 S+ 0 0 1 220,-2.6 193,-0.4 1,-0.3 -1,-0.1 0.681 119.5 61.5 -65.8 -15.5 10.0 11.3 9.6 49 269 A D T 3 S- 0 0 65 219,-0.3 -1,-0.3 191,-0.2 -2,-0.1 0.274 125.6 -97.7 -93.1 9.3 11.7 9.5 12.5 50 270 A G S < S+ 0 0 7 -3,-2.2 2,-0.8 1,-0.2 -2,-0.1 0.534 72.2 147.1 93.5 8.2 11.2 12.5 14.8 51 271 A E - 0 0 111 -4,-0.1 -4,-2.3 1,-0.0 -1,-0.2 -0.692 41.4-140.6 -80.2 112.6 14.5 14.2 14.6 52 272 A L B -J 46 0D 49 -2,-0.8 2,-0.3 -6,-0.2 -6,-0.2 -0.457 25.0-170.7 -67.8 142.6 14.0 18.0 14.9 53 273 A Q > + 0 0 40 -8,-2.2 3,-2.1 -2,-0.1 -8,-0.4 -0.828 42.5 4.0-131.9 169.9 16.2 20.0 12.6 54 274 A G T 3 S- 0 0 11 138,-0.4 -11,-0.2 -2,-0.3 47,-0.2 -0.328 125.4 -30.0 60.2-130.8 17.2 23.6 12.1 55 275 A T T 3 S+ 0 0 0 -13,-1.6 49,-2.3 44,-0.1 -1,-0.3 0.088 97.0 142.1-103.8 21.1 15.7 26.0 14.7 56 276 A T < + 0 0 4 -3,-2.1 2,-0.2 -14,-0.5 -13,-0.1 -0.441 19.3 165.3 -76.6 131.6 12.6 23.8 15.1 57 277 A Q - 0 0 20 -2,-0.2 -13,-0.2 2,-0.1 177,-0.1 -0.778 42.0-107.6-132.9-179.2 11.1 23.3 18.6 58 278 A L S S+ 0 0 51 -2,-0.2 176,-0.1 175,-0.1 5,-0.0 0.708 82.5 92.5 -90.8 -22.7 7.8 22.0 19.9 59 279 A L - 0 0 92 1,-0.2 4,-0.5 2,-0.1 3,-0.5 -0.632 51.9-165.4 -82.8 114.6 5.7 25.0 21.1 60 280 A P S > S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.891 87.7 51.9 -65.8 -38.1 3.5 26.4 18.3 61 281 A T T 3 S+ 0 0 118 1,-0.2 -2,-0.1 -38,-0.0 0, 0.0 0.764 104.8 58.4 -70.6 -21.4 2.7 29.7 20.1 62 282 A A T > S+ 0 0 8 -3,-0.5 3,-2.3 2,-0.1 -1,-0.2 0.550 73.6 119.2 -88.1 -9.1 6.4 30.4 20.6 63 283 A I T < S+ 0 0 1 -3,-1.0 42,-0.1 -4,-0.5 3,-0.1 -0.375 88.6 7.3 -59.1 130.7 7.4 30.2 16.9 64 284 A C T 3 S+ 0 0 0 40,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.640 105.8 125.2 66.5 15.8 8.8 33.6 15.9 65 285 A S < - 0 0 24 -3,-2.3 2,-0.3 39,-0.2 -1,-0.3 -0.592 46.2-152.5 -95.4 164.4 8.7 34.8 19.5 66 286 A F E -K 164 0E 10 98,-1.2 98,-2.3 -2,-0.2 2,-0.3 -0.978 7.6-168.8-134.5 151.7 11.7 36.1 21.5 67 287 A R E +KL 163 86E 95 19,-0.5 19,-3.0 -2,-0.3 2,-0.3 -0.989 37.6 75.6-137.5 146.3 12.5 36.1 25.2 68 288 A G E -KL 162 85E 6 94,-2.1 94,-2.9 -2,-0.3 2,-0.3 -0.981 68.7 -64.2 160.1-142.6 15.2 37.9 27.2 69 289 A R E -KL 161 84E 65 15,-2.0 15,-2.8 -2,-0.3 2,-0.5 -0.997 36.1-113.0-147.5 145.3 16.0 41.3 28.6 70 290 A I E - L 0 83E 0 90,-0.7 89,-3.7 87,-0.4 13,-0.2 -0.675 28.2-177.6 -77.6 125.1 16.8 44.7 27.2 71 291 A N E - 0 0 69 11,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.737 60.2 -20.8 -96.6 -24.9 20.4 45.6 28.0 72 292 A Q E - L 0 82E 93 10,-1.0 10,-3.1 85,-0.1 2,-0.3 -0.974 64.6 -94.9-171.9 157.9 20.5 49.1 26.5 73 293 A K E - L 0 81E 60 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.723 62.2 -96.0 -78.9 140.3 19.0 51.6 24.1 74 294 A V > - 0 0 17 6,-2.7 3,-2.2 -2,-0.3 6,-0.2 -0.340 44.7 -97.9 -66.3 136.0 20.9 51.4 20.9 75 295 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.268 105.5 2.9 -56.1 127.5 23.7 54.0 20.4 76 296 A G T 3 S+ 0 0 77 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.615 111.2 112.0 72.3 12.5 22.6 57.0 18.3 77 297 A E < - 0 0 98 -3,-2.2 2,-0.4 3,-0.2 3,-0.3 -0.972 51.8-160.4-124.8 125.0 19.1 55.5 18.1 78 298 A N S S+ 0 0 93 -2,-0.5 3,-0.1 1,-0.2 76,-0.1 -0.825 86.8 14.8 -88.6 139.8 15.8 56.8 19.6 79 299 A H S S+ 0 0 66 74,-0.5 71,-2.9 -2,-0.4 2,-0.4 0.547 102.0 108.0 77.0 6.9 13.2 54.0 19.7 80 300 A V E - M 0 149E 26 -3,-0.3 -6,-2.7 69,-0.2 2,-0.3 -0.977 47.0-171.0-120.9 133.1 15.6 51.2 19.1 81 301 A W E -LM 73 148E 10 67,-2.6 67,-2.5 -2,-0.4 2,-0.6 -0.887 21.4-129.8-124.0 146.7 16.6 48.7 21.9 82 302 A N E -LM 72 147E 29 -10,-3.1 -11,-2.5 -2,-0.3 -10,-1.0 -0.869 25.8-162.8 -97.6 123.6 19.2 46.0 22.2 83 303 A M E -LM 70 146E 0 63,-3.3 63,-2.2 -2,-0.6 2,-0.7 -0.916 13.3-148.9-113.3 123.3 17.7 42.7 23.5 84 304 A Q E -LM 69 145E 108 -15,-2.8 -15,-2.0 -2,-0.5 61,-0.2 -0.797 30.1-143.1 -86.4 116.6 19.8 39.9 25.0 85 305 A V E -L 68 0E 9 59,-1.4 8,-0.5 -2,-0.7 -17,-0.3 -0.568 20.7-175.1 -94.0 145.7 17.9 36.7 24.0 86 306 A T E -LN 67 92E 31 -19,-3.0 -19,-0.5 -2,-0.2 5,-0.1 -0.612 41.7 -76.9-113.9-179.3 17.4 33.5 26.0 87 307 A N > - 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