==== 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 3PUN . 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 . 604 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 62.6 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 . 190 31.5 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 . 73 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.3 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 . 15 0 4 7 3 2 5 1 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 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 1 226 A A 0 0 132 0, 0.0 2,-0.2 0, 0.0 237,-0.1 0.000 360.0 360.0 360.0 118.0 -5.0 36.9 -5.6 2 227 A F + 0 0 18 237,-0.1 2,-0.3 236,-0.0 287,-0.1 -0.497 360.0 177.1 -74.2 132.0 -7.0 33.6 -5.3 3 228 A T - 0 0 62 -2,-0.2 235,-0.1 229,-0.1 233,-0.1 -0.929 25.4-148.3-134.9 158.6 -10.3 33.5 -7.0 4 229 A I - 0 0 14 -2,-0.3 285,-0.1 283,-0.1 225,-0.1 -0.978 36.5-107.5-115.8 136.3 -13.3 31.2 -7.8 5 230 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 282,-0.2 -0.380 34.1-113.1 -64.7 145.5 -15.3 31.6 -11.0 6 231 A V + 0 0 73 532,-0.1 2,-0.4 280,-0.1 282,-0.1 -0.725 57.1 151.4 -80.2 107.4 -18.8 33.0 -10.4 7 232 A L - 0 0 7 -2,-0.8 280,-0.4 280,-0.2 2,-0.1 -0.999 42.2-132.4-143.1 134.1 -21.1 30.2 -11.3 8 233 A K > - 0 0 70 -2,-0.4 3,-2.1 278,-0.1 4,-0.5 -0.445 37.1-108.4 -72.9 159.1 -24.6 29.1 -10.2 9 234 A I G > S+ 0 0 24 276,-0.5 3,-1.4 274,-0.3 12,-0.3 0.898 122.6 58.2 -53.6 -37.8 -25.0 25.4 -9.3 10 235 A S G 3 S+ 0 0 65 273,-0.4 -1,-0.3 1,-0.3 347,-0.1 0.443 101.9 53.7 -77.0 -0.8 -27.0 25.1 -12.6 11 236 A E G < S+ 0 0 33 -3,-2.1 -1,-0.3 345,-0.1 2,-0.2 0.414 89.5 103.0-107.2 -2.2 -24.0 26.4 -14.6 12 237 A M < - 0 0 1 -3,-1.4 9,-3.0 -4,-0.5 2,-0.4 -0.541 60.6-143.4 -86.3 147.9 -21.6 23.8 -13.3 13 238 A T B -A 20 0A 0 7,-0.3 214,-2.9 -2,-0.2 215,-0.3 -0.898 23.3-113.7-108.3 135.6 -20.4 20.7 -15.1 14 239 A N - 0 0 1 5,-3.0 5,-0.2 -2,-0.4 3,-0.1 -0.461 17.5-151.7 -65.5 137.1 -19.7 17.4 -13.4 15 240 A S S S+ 0 0 3 210,-0.4 24,-0.3 1,-0.2 -1,-0.1 0.520 92.3 49.7 -90.9 -5.2 -16.0 16.5 -13.5 16 241 A R S S+ 0 0 0 1,-0.3 86,-0.2 22,-0.1 -1,-0.2 0.483 121.5 22.3-110.2 -6.9 -16.7 12.7 -13.4 17 242 A F S S- 0 0 2 2,-0.2 2,-2.8 -3,-0.1 -1,-0.3 -0.937 87.4-108.1-160.2 136.7 -19.3 12.5 -16.2 18 243 A P S S+ 0 0 23 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.302 83.0 93.8 -76.0 67.2 -19.9 14.9 -19.1 19 244 A V S S- 0 0 29 -2,-2.8 -5,-3.0 -5,-0.2 -2,-0.2 -0.955 80.6 -81.6-146.0 162.1 -23.2 16.4 -17.9 20 245 A P B -A 13 0A 41 0, 0.0 -7,-0.3 0, 0.0 2,-0.2 -0.254 48.0-104.0 -63.7 153.7 -24.4 19.4 -15.8 21 246 A V - 0 0 5 -9,-3.0 187,-0.2 -12,-0.3 -9,-0.2 -0.575 30.5-166.2 -69.9 139.7 -24.3 19.4 -12.1 22 247 A D - 0 0 76 185,-2.5 2,-0.3 1,-0.4 186,-0.2 0.800 58.6 -21.0 -98.8 -41.0 -27.8 18.9 -10.7 23 248 A Q E -B 207 0B 31 184,-2.1 184,-2.8 -14,-0.1 -1,-0.4 -0.989 61.5-100.1-161.6 158.9 -27.4 19.8 -7.0 24 249 A M E -BC 206 279B 2 255,-0.6 255,-2.3 -2,-0.3 2,-0.3 -0.624 46.1-177.1 -78.2 151.1 -25.0 20.1 -4.2 25 250 A Y E -BC 205 278B 26 180,-2.2 180,-3.5 253,-0.3 2,-0.3 -0.994 15.3-161.3-152.5 145.9 -25.1 17.1 -1.9 26 251 A T E +BC 204 277B 0 251,-2.5 251,-2.2 -2,-0.3 2,-0.3 -0.957 11.8 176.7-132.7 153.4 -23.4 16.0 1.4 27 252 A S E -B 203 0B 15 176,-0.8 176,-0.6 -2,-0.3 249,-0.2 -0.987 40.8-130.6-151.8 154.8 -23.0 12.6 3.0 28 253 A R - 0 0 122 -2,-0.3 4,-0.2 174,-0.1 3,-0.2 0.682 39.6-147.1 -74.6 -20.8 -21.4 10.8 6.0 29 254 A S > - 0 0 21 1,-0.2 3,-1.5 2,-0.1 2,-0.1 0.891 21.6-164.2 51.7 43.0 -20.0 8.4 3.4 30 255 A E T 3 - 0 0 139 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.371 67.9 -1.5 -60.4 127.9 -20.4 5.7 6.1 31 256 A G T 3 S+ 0 0 91 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.809 109.8 113.1 64.8 33.9 -18.3 2.6 5.1 32 257 A I < - 0 0 76 -3,-1.5 2,-0.7 -4,-0.2 -1,-0.2 -0.997 59.8-140.5-139.7 136.8 -17.1 4.1 1.8 33 258 A V - 0 0 90 -2,-0.4 2,-1.0 142,-0.1 162,-0.1 -0.898 17.1-149.6 -97.5 116.4 -13.7 5.2 0.6 34 259 A V B +I 194 0C 5 -2,-0.7 160,-2.4 160,-0.5 141,-0.1 -0.748 42.2 139.2 -87.4 101.5 -14.0 8.4 -1.4 35 260 A Q + 0 0 46 -2,-1.0 158,-0.1 158,-0.2 156,-0.1 -0.358 20.3 171.0-141.9 57.6 -11.2 8.2 -4.0 36 261 A P - 0 0 2 0, 0.0 67,-0.1 0, 0.0 139,-0.1 -0.365 21.1-157.4 -67.5 152.8 -12.5 9.5 -7.4 37 262 A Q S S+ 0 0 0 63,-0.1 13,-1.6 12,-0.1 14,-0.5 0.603 72.9 66.6-108.9 -20.0 -9.8 9.9 -10.0 38 263 A N S S+ 0 0 2 1,-0.2 -22,-0.1 11,-0.2 -23,-0.1 -0.737 95.7 34.6 -96.8 154.6 -11.5 12.4 -12.2 39 264 A G S S+ 0 0 1 -24,-0.3 2,-0.6 -2,-0.3 185,-0.2 0.836 84.3 138.9 70.0 34.8 -12.3 15.9 -11.0 40 265 A R + 0 0 2 8,-0.4 8,-2.7 -3,-0.4 2,-0.3 -0.950 13.5 138.2-116.1 114.0 -9.0 15.9 -9.0 41 266 A A B -J 47 0D 0 -2,-0.6 6,-0.2 226,-0.3 2,-0.1 -0.965 47.6-122.6-151.6 137.4 -7.0 19.1 -9.0 42 267 A T > - 0 0 14 4,-2.2 3,-2.4 -2,-0.3 224,-0.2 -0.448 35.0-111.0 -73.5 157.0 -5.1 21.0 -6.2 43 268 A I T 3 S+ 0 0 1 222,-2.8 195,-0.4 1,-0.3 -1,-0.1 0.693 119.1 61.9 -67.8 -14.5 -6.3 24.6 -5.8 44 269 A D T 3 S- 0 0 40 221,-0.4 -1,-0.3 193,-0.1 222,-0.1 0.328 126.0 -98.7 -92.0 10.2 -2.9 25.6 -7.1 45 270 A G S < S+ 0 0 11 -3,-2.4 2,-0.6 1,-0.2 -2,-0.1 0.621 72.3 142.4 95.0 15.7 -3.7 23.9 -10.4 46 271 A E - 0 0 124 -4,-0.1 -4,-2.2 1,-0.0 2,-0.3 -0.802 44.5-136.9 -88.6 119.5 -2.0 20.5 -10.4 47 272 A L B -J 41 0D 57 -2,-0.6 -6,-0.3 -6,-0.2 2,-0.2 -0.579 24.4-166.9 -76.6 132.4 -4.1 17.8 -12.1 48 273 A L > + 0 0 36 -8,-2.7 3,-2.2 -2,-0.3 -8,-0.4 -0.664 46.5 0.6-113.5 170.5 -4.3 14.5 -10.2 49 274 A G T 3 S- 0 0 13 140,-0.3 -11,-0.2 1,-0.3 47,-0.1 -0.305 126.3 -31.3 60.3-128.7 -5.5 11.0 -11.0 50 275 A T T 3 S+ 0 0 0 -13,-1.6 49,-2.7 50,-0.1 2,-0.3 0.026 95.9 146.2-107.9 23.0 -6.8 10.7 -14.6 51 276 A T < + 0 0 4 -3,-2.2 2,-0.3 -14,-0.5 47,-0.1 -0.447 21.6 177.0 -73.5 125.5 -8.1 14.3 -14.5 52 277 A L - 0 0 24 -2,-0.3 -13,-0.2 2,-0.2 6,-0.1 -0.760 33.2-126.0-114.9 170.3 -8.0 16.3 -17.8 53 278 A V S S+ 0 0 10 -2,-0.3 178,-0.1 177,-0.1 -1,-0.1 0.794 77.6 101.0 -90.1 -28.2 -9.2 19.9 -18.4 54 279 A S > - 0 0 8 1,-0.2 3,-0.6 259,-0.1 4,-0.4 -0.400 61.7-153.2 -57.1 128.4 -11.6 19.2 -21.4 55 280 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 172,-0.1 0.487 89.1 50.3 -84.5 -5.3 -15.1 19.2 -19.9 56 281 A V T 3 S+ 0 0 7 1,-0.1 -2,-0.1 -38,-0.0 -3,-0.0 0.251 97.4 68.0-113.9 10.6 -16.6 16.9 -22.6 57 282 A S X + 0 0 10 -3,-0.6 3,-2.1 265,-0.1 -1,-0.1 0.678 61.1 112.3-107.2 -24.0 -14.0 14.1 -22.6 58 283 A V T 3 S+ 0 0 7 -4,-0.4 42,-0.2 1,-0.3 3,-0.1 -0.272 89.6 13.6 -60.0 138.2 -14.4 12.2 -19.3 59 284 A C T 3 S+ 0 0 0 40,-3.5 -1,-0.3 1,-0.3 2,-0.3 0.527 100.7 123.2 69.6 7.5 -15.7 8.7 -19.8 60 285 A N < - 0 0 15 -3,-2.1 2,-0.3 39,-0.2 -1,-0.3 -0.675 44.2-161.1 -89.4 153.3 -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 -0.977 7.4-174.5-131.8 152.4 -12.8 6.3 -25.3 62 287 A K E +KL 157 81E 71 19,-0.5 19,-2.1 -2,-0.3 2,-0.3 -0.990 27.0 95.8-140.3 145.8 -11.0 6.4 -28.7 63 288 A G E -KL 156 80E 8 93,-2.3 93,-2.9 -2,-0.3 2,-0.3 -0.972 63.5 -44.6 164.2-172.5 -9.0 3.8 -30.6 64 289 A N E -KL 155 79E 42 15,-2.4 15,-2.3 -2,-0.3 2,-1.5 -0.658 42.4-128.4 -85.2 137.9 -8.6 1.2 -33.2 65 290 A L E + L 0 78E 1 89,-1.2 88,-3.1 -2,-0.3 13,-0.2 -0.674 34.3 179.7 -80.4 90.0 -11.2 -1.6 -33.6 66 291 A Q E - 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