==== 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 3PUM . 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 . 593 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 62.2 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 . 191 32.2 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 . 9 1.5 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 . 70 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.3 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 . 16 0 5 7 6 0 5 0 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 1 1 0 0 0 0 0 0 0 0 1 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 0 121 0, 0.0 2,-0.2 0, 0.0 233,-0.1 0.000 360.0 360.0 360.0 121.8 -3.0 42.4 -34.2 2 227 A F + 0 0 17 233,-0.2 2,-0.3 231,-0.1 283,-0.1 -0.456 360.0 156.5 -75.8 138.2 -2.0 39.7 -31.8 3 228 A T - 0 0 66 -2,-0.2 231,-0.1 281,-0.0 229,-0.1 -0.967 28.8-143.1-152.8 158.3 -2.6 40.1 -28.0 4 229 A I - 0 0 17 -2,-0.3 281,-0.2 279,-0.1 221,-0.1 -0.979 35.4-101.3-125.5 139.9 -3.1 37.8 -25.0 5 230 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 278,-0.2 -0.299 36.7-109.0 -61.6 146.7 -5.5 38.5 -22.1 6 231 A V + 0 0 73 524,-0.1 2,-0.3 276,-0.1 278,-0.1 -0.672 57.0 154.3 -77.0 112.4 -4.1 40.0 -18.9 7 232 A L - 0 0 11 -2,-0.7 276,-0.4 276,-0.2 2,-0.1 -0.995 41.2-133.4-148.1 140.3 -4.3 37.2 -16.3 8 233 A K >> - 0 0 74 -2,-0.3 3,-2.1 274,-0.1 4,-0.6 -0.481 38.8-109.3 -81.7 159.0 -2.7 36.1 -13.1 9 234 A I G >4 S+ 0 0 25 272,-0.5 3,-1.3 270,-0.4 12,-0.4 0.905 122.1 55.6 -55.9 -39.0 -1.8 32.4 -12.8 10 235 A S G 34 S+ 0 0 51 269,-0.4 -1,-0.3 1,-0.3 342,-0.1 0.503 102.4 55.6 -73.0 -5.2 -4.5 32.1 -10.2 11 236 A E G <4 S+ 0 0 30 -3,-2.1 -1,-0.3 9,-0.1 -2,-0.2 0.488 89.6 101.1-102.1 -5.2 -7.1 33.6 -12.7 12 237 A M << - 0 0 1 -3,-1.3 9,-2.7 -4,-0.6 2,-0.4 -0.496 63.5-142.8 -82.1 147.7 -6.3 30.9 -15.3 13 238 A T B -A 20 0A 0 7,-0.3 210,-2.8 -2,-0.2 211,-0.3 -0.893 22.8-114.6-109.9 138.3 -8.5 27.9 -15.9 14 239 A N - 0 0 2 5,-3.2 5,-0.3 -2,-0.4 25,-0.1 -0.499 18.4-150.3 -71.0 140.1 -6.9 24.5 -16.7 15 240 A S S S+ 0 0 3 206,-0.4 24,-0.3 187,-0.2 -1,-0.1 0.466 91.8 48.9 -91.0 -2.3 -7.9 23.4 -20.2 16 241 A R S S+ 0 0 0 1,-0.3 84,-0.2 201,-0.1 -1,-0.2 0.542 120.8 25.7-110.9 -10.6 -7.8 19.7 -19.6 17 242 A F S S- 0 0 2 2,-0.2 2,-3.0 200,-0.1 -1,-0.3 -0.966 87.1-109.0-152.6 135.0 -9.9 19.7 -16.4 18 243 A P S S+ 0 0 21 0, 0.0 -3,-0.1 0, 0.0 38,-0.0 -0.266 84.5 94.9 -66.0 62.0 -12.6 22.1 -15.2 19 244 A V S S- 0 0 29 -2,-3.0 -5,-3.2 -5,-0.3 -2,-0.2 -0.962 80.6 -87.3-145.4 160.2 -10.5 23.6 -12.4 20 245 A P B -A 13 0A 39 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.256 48.1-100.6 -67.7 158.4 -8.3 26.7 -11.9 21 246 A V - 0 0 4 -9,-2.7 183,-0.3 -12,-0.4 -9,-0.2 -0.612 29.8-165.1 -77.3 137.0 -4.6 26.5 -12.7 22 247 A D - 0 0 83 181,-2.4 2,-0.3 1,-0.3 182,-0.2 0.817 59.7 -26.4 -93.6 -35.2 -2.5 26.0 -9.6 23 248 A Q E -B 203 0B 49 180,-2.4 180,-2.7 -14,-0.1 -1,-0.3 -0.982 60.2 -96.3-171.7 160.7 1.0 26.9 -10.9 24 249 A M E -BC 202 275B 3 251,-0.6 251,-1.8 -2,-0.3 2,-0.3 -0.580 46.3-179.0 -81.3 151.3 3.3 27.0 -13.9 25 250 A Y E -BC 201 274B 29 176,-2.4 176,-3.6 249,-0.3 2,-0.3 -0.988 13.9-159.0-152.2 148.2 5.5 23.9 -14.1 26 251 A T E +BC 200 273B 0 247,-2.1 247,-1.8 -2,-0.3 2,-0.3 -0.960 13.4 175.0-132.7 150.4 8.2 22.7 -16.5 27 252 A S E -B 199 0B 14 172,-0.9 172,-0.5 -2,-0.3 245,-0.2 -0.974 42.6-128.8-151.1 163.1 9.6 19.3 -17.2 28 253 A R - 0 0 116 -2,-0.3 4,-0.2 170,-0.1 3,-0.1 0.693 40.7-144.6 -82.4 -20.8 12.0 17.3 -19.4 29 254 A S > - 0 0 25 1,-0.2 3,-1.2 2,-0.1 2,-0.2 0.942 25.6-163.9 54.6 47.5 9.1 14.9 -20.1 30 255 A E T 3 + 0 0 143 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.458 65.4 0.2 -68.3 130.1 11.6 12.1 -20.1 31 256 A G T 3 S+ 0 0 93 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.863 113.1 106.7 60.9 37.9 10.3 8.9 -21.6 32 257 A I < - 0 0 47 -3,-1.2 2,-0.7 -4,-0.2 -1,-0.2 -0.990 63.4-137.9-151.7 140.3 7.0 10.5 -22.4 33 258 A V - 0 0 95 -2,-0.3 2,-1.1 138,-0.1 158,-0.1 -0.861 18.7-146.8 -98.7 116.2 5.1 11.8 -25.4 34 259 A V B +I 190 0C 6 -2,-0.7 156,-2.4 156,-0.5 137,-0.1 -0.718 43.2 141.0 -85.0 99.4 3.3 15.0 -24.7 35 260 A Q + 0 0 47 -2,-1.1 154,-0.1 154,-0.2 -1,-0.1 -0.311 19.4 170.9-138.5 55.5 0.2 14.7 -26.9 36 261 A P - 0 0 1 0, 0.0 65,-0.1 0, 0.0 135,-0.1 -0.243 20.5-159.5 -63.4 155.9 -2.8 16.2 -25.0 37 262 A Q S S+ 0 0 0 61,-0.1 13,-1.4 12,-0.1 14,-0.4 0.592 71.8 65.9-111.5 -19.7 -6.0 16.6 -27.1 38 263 A N S S+ 0 0 3 1,-0.2 -22,-0.1 11,-0.2 -23,-0.1 -0.734 95.9 35.2-101.6 154.6 -7.8 19.1 -24.9 39 264 A G S S+ 0 0 1 -2,-0.3 2,-0.6 -24,-0.3 182,-0.2 0.861 84.5 144.0 71.4 32.8 -6.5 22.6 -24.5 40 265 A R + 0 0 2 8,-0.4 8,-2.8 -3,-0.4 2,-0.3 -0.918 11.0 138.3-112.9 112.0 -5.3 22.5 -28.2 41 266 A A B -J 47 0D 0 -2,-0.6 6,-0.2 222,-0.3 2,-0.1 -0.958 46.0-128.0-153.3 131.4 -5.5 25.7 -30.2 42 267 A T > - 0 0 3 4,-2.3 3,-2.3 -2,-0.3 220,-0.2 -0.420 33.1-115.7 -71.8 154.7 -3.1 27.4 -32.7 43 268 A I T 3 S+ 0 0 1 218,-2.1 191,-0.3 1,-0.3 -1,-0.1 0.652 116.8 72.0 -67.5 -7.6 -2.4 31.1 -31.8 44 269 A D T 3 S- 0 0 51 217,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.597 120.9-105.1 -77.0 -19.8 -4.3 31.5 -35.1 45 270 A G S < S+ 0 0 17 -3,-2.3 2,-0.7 1,-0.3 -2,-0.1 0.588 75.1 137.4 101.4 12.5 -7.6 30.6 -33.6 46 271 A E - 0 0 127 -4,-0.1 -4,-2.3 0, 0.0 2,-0.3 -0.846 47.0-141.0 -95.6 116.4 -7.8 27.0 -35.0 47 272 A L B -J 41 0D 53 -2,-0.7 -6,-0.3 -6,-0.2 2,-0.2 -0.602 21.8-165.4 -79.6 134.6 -9.1 24.5 -32.4 48 273 A L > + 0 0 29 -8,-2.8 3,-2.2 -2,-0.3 -8,-0.4 -0.609 45.0 0.3-114.2 173.0 -7.4 21.1 -32.5 49 274 A G T 3 S- 0 0 12 136,-0.3 -11,-0.2 1,-0.2 45,-0.1 -0.230 124.5 -30.8 53.8-130.4 -8.1 17.6 -31.1 50 275 A T T 3 S+ 0 0 0 -13,-1.4 47,-2.7 48,-0.1 2,-0.3 -0.028 95.6 146.9-108.5 26.3 -11.2 17.4 -29.0 51 276 A T < + 0 0 5 -3,-2.2 2,-0.3 -14,-0.4 45,-0.1 -0.476 22.3 178.8 -74.6 127.3 -10.9 21.1 -27.8 52 277 A L - 0 0 25 -2,-0.3 -13,-0.2 2,-0.2 6,-0.1 -0.779 32.1-127.6-118.3 165.7 -14.0 23.2 -27.2 53 278 A V S S+ 0 0 11 -2,-0.3 174,-0.1 173,-0.1 -1,-0.1 0.832 77.4 100.1 -84.6 -32.7 -14.2 26.8 -26.0 54 279 A S > - 0 0 8 1,-0.1 3,-0.7 254,-0.1 4,-0.4 -0.310 62.1-152.2 -54.4 127.2 -16.6 26.3 -23.0 55 280 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 168,-0.1 0.530 88.0 50.0 -83.4 -4.5 -14.5 26.3 -19.8 56 281 A V T 3 S+ 0 0 5 1,-0.1 -2,-0.1 -38,-0.0 255,-0.0 0.189 97.4 68.6-117.0 17.0 -16.8 24.1 -17.8 57 282 A S X + 0 0 10 -3,-0.7 3,-2.2 260,-0.1 -1,-0.1 0.690 60.4 113.6-109.5 -21.6 -17.4 21.2 -20.2 58 283 A V T 3 S+ 0 0 7 -4,-0.4 40,-0.2 1,-0.3 3,-0.1 -0.276 89.9 11.8 -58.2 133.4 -14.1 19.4 -20.5 59 284 A C T 3 S+ 0 0 0 38,-3.7 -1,-0.3 1,-0.3 2,-0.3 0.560 99.8 123.2 75.6 10.8 -14.3 15.9 -19.0 60 285 A N < - 0 0 17 -3,-2.2 2,-0.3 37,-0.2 -1,-0.3 -0.672 44.3-158.9 -96.4 157.8 -18.1 16.0 -18.8 61 286 A F E -K 156 0E 6 95,-1.7 95,-3.3 -2,-0.3 2,-0.3 -0.981 8.7-175.9-135.8 150.2 -20.4 13.5 -20.4 62 287 A K E +K 155 0E 70 17,-0.5 17,-1.9 -2,-0.3 2,-0.3 -0.991 26.1 99.7-144.8 146.1 -24.0 13.6 -21.5 63 288 A G E -KL 154 78E 6 91,-2.3 91,-2.6 -2,-0.3 2,-0.3 -0.968 63.1 -47.8 163.6-177.1 -26.4 11.1 -23.0 64 289 A N E -KL 153 77E 49 13,-2.4 13,-2.2 -2,-0.3 2,-1.9 -0.641 43.2-124.4 -87.3 140.0 -29.2 8.5 -22.5 65 290 A L E + L 0 76E 0 87,-1.1 86,-3.2 -2,-0.3 11,-0.2 -0.613 36.6 179.9 -81.4 82.4 -29.1 5.9 -19.8 66 291 A Q E - 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