==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-DEC-10 3PVD . COMPND 2 MOLECULE: CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN CALICIVIRUS; . AUTHOR Y.CHEN,M.TAN,M.XIA,N.HAO,X.C.ZHANG,P.HUANG,X.JIANG,X.LI,Z.RA . 601 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 33.4 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 . 8 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 . 1 0.2 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 . 76 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 0 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 PARALLEL BRIDGES PER LADDER . 13 1 6 6 4 2 2 4 2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 226 A A 0 0 127 0, 0.0 2,-0.3 0, 0.0 235,-0.1 0.000 360.0 360.0 360.0 147.8 -4.6 36.5 -5.7 2 227 A F + 0 0 17 235,-0.1 2,-0.3 233,-0.0 285,-0.1 -0.645 360.0 172.3 -91.3 132.4 -6.9 33.4 -5.4 3 228 A T - 0 0 65 -2,-0.3 233,-0.1 227,-0.1 231,-0.1 -0.927 26.7-141.8-137.1 160.9 -10.4 33.4 -6.9 4 229 A I - 0 0 15 -2,-0.3 283,-0.2 281,-0.1 223,-0.1 -0.962 36.8-108.0-117.0 136.5 -13.3 31.1 -7.6 5 230 A P - 0 0 12 0, 0.0 2,-0.8 0, 0.0 280,-0.2 -0.405 34.4-112.8 -60.4 143.8 -15.3 31.4 -10.9 6 231 A V + 0 0 75 530,-0.1 2,-0.4 278,-0.1 280,-0.1 -0.706 57.9 153.6 -79.6 107.8 -18.8 33.0 -10.3 7 232 A L - 0 0 9 -2,-0.8 278,-0.4 278,-0.2 2,-0.2 -0.997 42.4-133.9-143.9 134.7 -21.1 30.1 -11.2 8 233 A K >> - 0 0 69 -2,-0.4 3,-2.1 276,-0.1 4,-0.5 -0.537 35.8-112.7 -74.4 152.8 -24.6 29.0 -10.2 9 234 A I G >4 S+ 0 0 25 274,-0.5 3,-1.6 1,-0.3 12,-0.3 0.908 120.5 58.9 -50.4 -40.3 -24.9 25.3 -9.3 10 235 A S G 34 S+ 0 0 61 271,-0.4 -1,-0.3 1,-0.3 345,-0.1 0.596 102.8 51.6 -71.2 -10.6 -27.0 25.0 -12.5 11 236 A E G <4 S+ 0 0 33 -3,-2.1 -1,-0.3 9,-0.1 -2,-0.2 0.430 90.2 103.1-100.9 -4.1 -24.1 26.3 -14.6 12 237 A M << - 0 0 1 -3,-1.6 9,-2.8 -4,-0.5 2,-0.4 -0.526 61.6-140.8 -84.2 148.6 -21.6 23.7 -13.2 13 238 A T B -A 20 0A 0 7,-0.3 212,-2.7 -2,-0.2 213,-0.3 -0.891 21.8-114.0-108.2 137.5 -20.4 20.6 -15.1 14 239 A N - 0 0 1 5,-2.8 5,-0.2 -2,-0.4 3,-0.1 -0.490 18.0-152.4 -66.5 136.9 -19.8 17.3 -13.4 15 240 A S S S+ 0 0 2 208,-0.4 24,-0.4 -2,-0.2 -1,-0.1 0.509 92.1 49.0 -89.4 -5.3 -16.1 16.4 -13.5 16 241 A R S S+ 0 0 0 1,-0.3 86,-0.3 22,-0.1 -1,-0.2 0.472 122.3 22.6-111.9 -8.1 -16.7 12.6 -13.4 17 242 A F S S- 0 0 1 2,-0.2 2,-2.7 -3,-0.1 -1,-0.3 -0.934 86.9-110.6-158.6 136.5 -19.4 12.4 -16.2 18 243 A P S S+ 0 0 22 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.299 82.1 94.3 -78.5 68.0 -20.0 14.9 -19.0 19 244 A V S S- 0 0 29 -2,-2.7 -5,-2.8 -5,-0.2 -2,-0.2 -0.940 81.4 -81.2-144.8 161.6 -23.3 16.3 -17.8 20 245 A P B -A 13 0A 43 0, 0.0 -7,-0.3 0, 0.0 2,-0.3 -0.243 47.2-104.2 -64.4 153.1 -24.4 19.3 -15.8 21 246 A V - 0 0 5 -9,-2.8 185,-0.3 -12,-0.3 -9,-0.2 -0.597 30.7-166.8 -69.3 138.1 -24.3 19.3 -12.0 22 247 A D - 0 0 83 183,-2.8 2,-0.3 1,-0.4 184,-0.2 0.808 58.9 -18.4 -97.2 -37.9 -27.9 18.8 -10.6 23 248 A Q E -B 205 0B 35 182,-2.1 182,-3.1 -14,-0.1 -1,-0.4 -0.989 61.7-102.3-161.5 156.5 -27.4 19.7 -6.9 24 249 A M E -BC 204 277B 2 253,-0.6 253,-2.6 -2,-0.3 2,-0.3 -0.664 46.6-176.9 -78.4 149.8 -25.0 20.1 -4.1 25 250 A Y E -BC 203 276B 24 178,-2.3 178,-3.6 251,-0.3 2,-0.3 -0.992 15.7-158.5-150.2 145.9 -25.1 17.0 -1.8 26 251 A T E -BC 202 275B 0 249,-2.5 249,-1.9 -2,-0.3 2,-0.3 -0.964 11.7-178.4-131.4 154.4 -23.5 15.9 1.4 27 252 A S E -B 201 0B 17 174,-0.9 174,-0.5 -2,-0.3 247,-0.2 -0.987 39.0-134.8-148.5 151.3 -23.0 12.5 3.0 28 253 A R - 0 0 119 -2,-0.3 3,-0.1 172,-0.1 -1,-0.1 0.687 40.7-145.6 -71.6 -22.5 -21.6 10.7 6.0 29 254 A S > - 0 0 26 1,-0.2 3,-1.5 2,-0.1 2,-0.2 0.901 23.8-168.8 54.2 41.6 -20.0 8.3 3.5 30 255 A E T 3 + 0 0 149 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.456 65.9 1.0 -62.6 126.8 -20.6 5.5 6.0 31 256 A G T 3 S+ 0 0 90 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.695 110.7 103.7 72.6 21.7 -18.7 2.4 4.9 32 257 A I < - 0 0 60 -3,-1.5 2,-0.6 2,-0.0 -1,-0.2 -0.984 62.7-136.0-137.1 150.7 -17.2 3.8 1.7 33 258 A V - 0 0 89 -2,-0.3 2,-0.9 140,-0.1 160,-0.1 -0.915 19.1-148.1-102.4 120.8 -13.8 5.0 0.5 34 259 A V B +I 192 0C 5 -2,-0.6 158,-2.3 158,-0.5 139,-0.1 -0.785 43.0 138.9 -90.6 100.5 -14.1 8.3 -1.5 35 260 A Q + 0 0 45 -2,-0.9 154,-0.1 156,-0.2 156,-0.1 -0.231 20.7 171.6-141.6 51.5 -11.3 8.1 -4.0 36 261 A P - 0 0 2 0, 0.0 67,-0.1 0, 0.0 137,-0.1 -0.249 21.2-157.8 -63.2 153.8 -12.4 9.4 -7.4 37 262 A Q S S+ 0 0 0 63,-0.1 13,-1.4 12,-0.1 14,-0.5 0.584 73.5 67.1-108.7 -19.5 -9.7 9.8 -10.0 38 263 A N S S+ 0 0 2 1,-0.2 184,-0.3 11,-0.2 -22,-0.1 -0.734 95.6 34.1 -98.0 154.5 -11.6 12.3 -12.2 39 264 A G S S+ 0 0 1 -24,-0.4 2,-0.6 -2,-0.3 -1,-0.2 0.822 84.7 141.4 68.6 34.9 -12.3 15.8 -11.0 40 265 A R + 0 0 2 -3,-0.4 8,-2.5 8,-0.4 2,-0.3 -0.936 12.5 137.2-114.2 113.9 -9.0 15.8 -9.0 41 266 A A B -J 47 0D 0 -2,-0.6 6,-0.2 224,-0.3 2,-0.1 -0.965 47.4-124.0-152.3 138.2 -7.0 19.0 -8.9 42 267 A T > - 0 0 13 4,-2.2 3,-2.5 -2,-0.3 222,-0.2 -0.490 35.2-112.3 -75.6 156.0 -5.2 20.9 -6.2 43 268 A I T 3 S+ 0 0 2 220,-2.6 193,-0.4 1,-0.3 -1,-0.1 0.644 118.2 61.7 -71.6 -11.0 -6.3 24.5 -5.8 44 269 A D T 3 S- 0 0 44 219,-0.4 -1,-0.3 191,-0.1 220,-0.1 0.259 126.2 -97.5 -93.6 12.3 -2.9 25.6 -7.1 45 270 A G S < S+ 0 0 13 -3,-2.5 2,-0.6 1,-0.2 -2,-0.1 0.564 72.9 141.9 97.3 10.4 -3.6 23.8 -10.4 46 271 A E - 0 0 124 -4,-0.0 -4,-2.2 1,-0.0 2,-0.3 -0.769 43.7-139.0 -87.8 119.4 -2.0 20.4 -10.3 47 272 A L B -J 41 0D 53 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.2 -0.598 23.8-169.4 -77.9 133.7 -4.1 17.8 -12.0 48 273 A L > + 0 0 37 -8,-2.5 3,-2.1 -2,-0.3 -8,-0.4 -0.627 46.2 4.4-115.2 173.7 -4.2 14.4 -10.2 49 274 A G T 3 S- 0 0 12 138,-0.3 -11,-0.2 1,-0.3 47,-0.1 -0.242 125.3 -33.2 58.6-131.6 -5.5 10.9 -11.1 50 275 A T T 3 S+ 0 0 0 -13,-1.4 49,-3.0 50,-0.1 -1,-0.3 0.029 95.6 146.4-106.2 22.2 -6.9 10.6 -14.6 51 276 A T < + 0 0 4 -3,-2.1 2,-0.2 -14,-0.5 47,-0.1 -0.436 22.3 178.9 -73.4 127.6 -8.1 14.2 -14.6 52 277 A L - 0 0 24 -2,-0.3 -13,-0.2 2,-0.2 6,-0.1 -0.742 33.3-125.2-114.8 171.8 -8.1 16.2 -17.8 53 278 A V S S+ 0 0 10 -2,-0.2 176,-0.1 175,-0.1 -1,-0.1 0.832 78.4 100.8 -89.1 -32.0 -9.2 19.8 -18.4 54 279 A S > - 0 0 7 1,-0.1 3,-0.6 257,-0.1 4,-0.4 -0.349 60.2-155.1 -52.0 126.7 -11.6 19.1 -21.3 55 280 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 170,-0.1 0.507 90.0 50.5 -85.0 -7.2 -15.2 19.1 -19.9 56 281 A V T 3 S+ 0 0 7 1,-0.1 -2,-0.1 -38,-0.0 -3,-0.0 0.288 98.6 67.5-110.3 8.1 -16.6 16.9 -22.7 57 282 A S X + 0 0 10 -3,-0.6 3,-2.1 263,-0.1 -1,-0.1 0.690 60.6 112.6-107.4 -24.2 -14.0 14.1 -22.6 58 283 A V T 3 S+ 0 0 6 -4,-0.4 42,-0.2 1,-0.3 3,-0.1 -0.254 89.9 12.9 -58.5 137.8 -14.4 12.2 -19.3 59 284 A C T 3 S+ 0 0 0 40,-3.6 -1,-0.3 1,-0.3 2,-0.3 0.580 100.3 124.5 67.9 10.8 -15.7 8.6 -19.8 60 285 A N < - 0 0 15 -3,-2.1 2,-0.3 39,-0.2 -1,-0.3 -0.684 42.8-162.2 -89.6 155.4 -15.0 8.8 -23.5 61 286 A F E -K 158 0E 6 97,-1.8 97,-2.9 -2,-0.3 2,-0.3 -0.980 8.1-175.8-132.8 151.2 -12.8 6.3 -25.4 62 287 A K E +KL 157 81E 71 19,-0.5 19,-2.1 -2,-0.3 2,-0.3 -0.988 25.8 107.7-137.9 148.2 -11.0 6.3 -28.8 63 288 A G E -KL 156 80E 7 93,-1.9 93,-2.7 -2,-0.3 2,-0.3 -0.977 62.7 -55.5 171.0-176.9 -9.0 3.7 -30.6 64 289 A N E -KL 155 79E 53 15,-2.4 15,-2.0 -2,-0.3 2,-1.3 -0.670 43.7-126.3 -81.5 137.3 -8.7 1.2 -33.4 65 290 A L E + L 0 78E 1 89,-1.4 88,-3.6 -2,-0.3 89,-0.2 -0.739 36.5 178.2 -79.1 97.9 -11.4 -1.5 -33.7 66 291 A Q E - 0 0 105 11,-2.0 2,-0.3 -2,-1.3 -1,-0.2 0.915 48.6 -37.3 -72.8 -45.7 -8.9 -4.4 -33.7 67 292 A A E - L 0 77E 31 10,-1.1 10,-3.6 -3,-0.2 2,-0.5 -0.981 51.1 -96.9-171.6 155.0 -11.2 -7.4 -33.9 68 293 A E E - L 0 76E 88 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.786 61.8-108.1 -75.6 128.8 -14.5 -9.0 -32.9 69 294 A V > - 0 0 9 6,-2.7 3,-1.8 -2,-0.5 6,-0.3 -0.462 34.8-106.9 -70.3 129.3 -13.4 -11.2 -30.0 70 295 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 100.6 11.0 -56.9 126.0 -13.2 -14.9 -30.8 71 296 A G T 3 S+ 0 0 88 1,-0.1 2,-0.5 -2,-0.1 -2,-0.1 0.421 108.5 96.3 86.3 -0.0 -16.0 -17.0 -29.2 72 297 A Q S X S- 0 0 104 -3,-1.8 3,-1.5 3,-0.2 -3,-0.2 -0.922 73.9-130.2-129.8 109.3 -18.0 -13.9 -28.1 73 298 A H T 3 S- 0 0 146 -2,-0.5 3,-0.1 1,-0.3 75,-0.0 -0.326 83.0 -14.0 -66.5 123.3 -20.8 -12.6 -30.3 74 299 A Q T 3 S+ 0 0 20 1,-0.2 71,-2.2 -2,-0.2 2,-0.5 0.771 93.8 133.8 56.0 32.1 -20.6 -8.9 -31.1 75 300 A L E < - M 0 144E 30 -3,-1.5 -6,-2.7 -6,-0.3 2,-0.4 -0.966 41.7-157.5-104.1 125.3 -18.1 -8.1 -28.4 76 301 A Y E -LM 68 143E 6 67,-3.0 67,-2.1 -2,-0.5 2,-0.6 -0.873 10.7-135.1-116.4 139.6 -15.4 -5.9 -30.0 77 302 A Q E -LM 67 142E 29 -10,-3.6 -11,-2.0 -2,-0.4 -10,-1.1 -0.797 18.8-162.2 -94.8 120.0 -11.8 -5.3 -29.0 78 303 A L E -LM 65 141E 2 63,-2.9 63,-1.1 -2,-0.6 2,-0.5 -0.743 13.2-155.2 -91.4 145.3 -10.4 -1.8 -28.9 79 304 A Q E -LM 64 140E 73 -15,-2.0 -15,-2.4 -2,-0.3 61,-0.2 -0.972 34.6-139.2-111.0 108.8 -6.8 -0.8 -28.9 80 305 A L E -L 63 0E 5 59,-2.3 8,-0.6 -2,-0.5 -17,-0.3 -0.248 22.2-167.9 -71.4 151.2 -7.0 2.6 -27.3 81 306 A T E -LN 62 87E 47 -19,-2.1 -19,-0.5 6,-0.2 5,-0.1 -0.772 45.4 -86.3-111.1 171.4 -5.2 5.8 -28.1 82 307 A N > - 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