==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 02-MAR-06 2G8G . COMPND 2 MOLECULE: CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS - 4; . AUTHOR L.GOVINDASAMY,E.PADRON,R.MCKENNA,N.MUZYCZKA,J.A.CHIORINI, . 524 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.3 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+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 1 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 0 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 7 2 4 3 2 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 0 0 0 1 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 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 1 211 A G 0 0 80 0, 0.0 191,-1.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 102.7 33.6 -8.6 77.3 2 212 A A B +A 191 0A 77 189,-0.2 189,-0.2 185,-0.1 2,-0.2 -0.705 360.0 125.3-171.1 113.5 37.2 -7.4 76.8 3 213 A D - 0 0 130 187,-2.4 6,-0.1 1,-0.2 2,-0.0 -0.470 49.8 -40.1-141.7-145.4 39.0 -4.0 76.8 4 214 A G > - 0 0 30 -2,-0.2 3,-0.6 4,-0.1 -1,-0.2 -0.211 42.5-111.3 -90.9 179.6 41.8 -2.0 78.4 5 215 A V T 3 S+ 0 0 96 1,-0.2 2,-0.3 185,-0.1 185,-0.1 0.880 114.2 45.5 -74.3 -41.4 43.5 -1.6 81.8 6 216 A G T 3 S+ 0 0 81 183,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.292 96.6 91.9 -98.8 49.1 42.4 2.0 82.4 7 217 A N S < S- 0 0 94 -3,-0.6 91,-0.1 -2,-0.3 -4,-0.1 -0.886 79.1-121.8-145.7 108.4 38.8 1.4 81.3 8 218 A A - 0 0 69 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.176 17.4-149.8 -46.8 137.8 36.0 0.5 83.7 9 219 A S S S- 0 0 20 1,-0.2 2,-0.3 182,-0.1 -1,-0.2 0.162 72.0 -2.3-100.2 19.1 34.5 -2.8 82.4 10 220 A G S S- 0 0 11 87,-0.1 2,-0.2 182,-0.0 -1,-0.2 -0.900 70.1-115.3 169.8 163.7 31.0 -2.1 83.7 11 221 A D - 0 0 143 -2,-0.3 2,-0.7 -3,-0.1 -2,-0.0 -0.742 32.8 -95.9-119.4 167.7 28.9 0.4 85.6 12 222 A W + 0 0 125 -2,-0.2 2,-0.5 16,-0.1 456,-0.0 -0.716 40.5 180.0 -86.7 111.8 27.0 0.5 88.9 13 223 A H + 0 0 74 -2,-0.7 2,-0.1 1,-0.0 -2,-0.0 -0.938 19.3 157.5-121.3 120.1 23.3 -0.3 88.6 14 224 A C + 0 0 55 -2,-0.5 13,-0.2 13,-0.2 -1,-0.0 -0.597 27.8 158.7-134.3 66.4 20.9 -0.3 91.5 15 225 A D - 0 0 76 -2,-0.1 11,-0.2 2,-0.0 10,-0.1 0.300 28.4-165.9 -68.7-158.4 17.5 0.3 89.8 16 226 A S - 0 0 40 8,-0.2 2,-0.6 9,-0.1 9,-0.2 -0.243 13.8-178.6 170.5 95.3 14.0 -0.6 91.0 17 227 A T B -B 24 0B 64 7,-1.9 7,-1.8 -2,-0.1 2,-0.1 -0.854 2.2-173.2-123.4 111.0 11.2 -0.4 88.2 18 228 A W + 0 0 65 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.434 17.3 137.8 -89.0 166.2 7.6 -1.1 89.0 19 229 A S - 0 0 57 3,-0.4 3,-0.3 -2,-0.1 -2,-0.0 -0.964 60.5 -27.4-178.9-172.5 4.7 -1.4 86.5 20 230 A E S S- 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 457,-0.1 0.744 122.6 -35.4 -15.7 -87.7 1.6 -3.2 85.6 21 231 A G S S+ 0 0 14 455,-0.1 454,-2.8 -3,-0.1 2,-0.4 -0.146 121.8 87.0-142.1 35.1 2.4 -6.6 87.0 22 232 A H E - C 0 474B 45 -3,-0.3 2,-0.4 452,-0.3 -3,-0.4 -0.997 48.7-176.6-138.7 136.4 6.1 -6.8 86.4 23 233 A V E - C 0 473B 0 450,-2.8 450,-3.4 -2,-0.4 2,-0.6 -0.999 9.9-156.4-135.8 132.7 8.9 -5.4 88.7 24 234 A T E -BC 17 472B 21 -7,-1.8 -7,-1.9 -2,-0.4 2,-0.4 -0.904 5.2-166.2-117.5 112.2 12.6 -5.4 87.9 25 235 A T E - C 0 471B 1 446,-1.8 446,-2.4 -2,-0.6 2,-0.4 -0.766 7.8-179.0 -95.2 136.3 15.1 -5.3 90.7 26 236 A T E + C 0 470B 8 -2,-0.4 2,-0.3 444,-0.2 444,-0.2 -1.000 7.4 167.6-134.3 130.2 18.7 -4.5 89.8 27 237 A S E - C 0 469B 2 442,-2.2 442,-2.5 -2,-0.4 2,-0.3 -0.997 16.7-162.4-150.2 145.6 21.5 -4.3 92.4 28 238 A T E + C 0 468B 0 -2,-0.3 2,-0.3 440,-0.3 440,-0.2 -0.912 9.5 178.3-123.8 149.2 25.3 -4.2 92.5 29 239 A R E - C 0 467B 6 438,-2.2 438,-1.8 -2,-0.3 2,-0.3 -0.975 28.1-118.8-147.0 154.3 27.8 -4.9 95.3 30 240 A T E - C 0 466B 37 -2,-0.3 121,-1.9 117,-0.3 2,-0.3 -0.766 35.9-169.0 -95.0 144.3 31.6 -4.9 95.7 31 241 A W E -dC 151 465B 0 434,-3.2 434,-1.3 -2,-0.3 2,-0.4 -0.855 17.0-143.8-132.7 167.3 33.2 -8.2 96.6 32 242 A V E -dC 152 464B 44 119,-1.7 121,-2.3 -2,-0.3 432,-0.3 -0.995 8.9-159.7-131.8 137.6 36.6 -9.7 97.8 33 243 A L E - C 0 463B 4 430,-3.7 430,-2.5 -2,-0.4 405,-0.1 -0.971 8.8-170.1-123.9 121.4 38.0 -13.0 96.9 34 244 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 405,-0.5 -0.013 39.0 -92.4 -86.6-165.8 40.7 -14.7 99.0 35 245 A T > - 0 0 40 403,-0.1 3,-1.1 427,-0.1 25,-0.1 -0.876 48.6-147.7-117.4 94.3 42.8 -17.8 98.1 36 246 A Y G > S- 0 0 35 -2,-0.7 3,-1.8 23,-0.6 4,-0.1 -0.325 71.3 -1.5 -69.0 143.7 40.8 -20.6 99.7 37 247 A N G > S- 0 0 31 1,-0.3 3,-2.7 2,-0.2 -1,-0.3 0.822 119.6 -78.5 48.5 34.2 42.4 -23.8 101.1 38 248 A N G < S- 0 0 109 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.895 93.1 -48.8 38.8 51.2 45.7 -22.2 100.0 39 249 A H G < S+ 0 0 32 -3,-1.8 -1,-0.3 1,-0.2 2,-0.3 0.289 116.1 101.1 80.0 -8.1 44.9 -23.3 96.4 40 250 A L < - 0 0 86 -3,-2.7 2,-0.4 -4,-0.1 -1,-0.2 -0.730 69.3-115.8-119.5 164.0 44.0 -26.9 97.0 41 251 A Y - 0 0 52 -2,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.732 32.1-162.4 -87.0 135.1 41.1 -29.3 97.3 42 252 A K E -H 57 0C 102 15,-2.4 15,-2.7 -2,-0.4 2,-0.4 -0.982 18.3-125.4-125.0 130.6 40.8 -30.9 100.8 43 253 A R E -H 56 0C 143 -2,-0.4 13,-0.3 13,-0.2 2,-0.3 -0.582 28.8-151.0 -73.3 125.7 38.8 -34.1 101.6 44 254 A L E +H 55 0C 57 11,-1.5 11,-2.6 -2,-0.4 2,-0.2 -0.715 29.8 138.8 -99.3 150.2 36.4 -33.4 104.4 45 255 A G E +H 54 0C 21 9,-0.3 9,-0.2 -2,-0.3 2,-0.2 -0.840 14.7 168.1 176.2 146.4 35.1 -35.9 106.9 46 256 A E E -H 53 0C 90 7,-2.0 7,-1.3 -2,-0.2 2,-0.9 -0.712 30.4-133.4-172.4 112.9 34.4 -36.3 110.6 47 257 A S + 0 0 62 -2,-0.2 120,-0.1 5,-0.2 5,-0.1 -0.631 39.3 154.9 -76.0 106.9 32.5 -39.2 112.3 48 258 A L > - 0 0 67 -2,-0.9 3,-1.3 119,-0.0 -1,-0.1 -0.139 55.1-113.9-127.6 40.3 30.0 -37.5 114.6 49 259 A Q T 3 S- 0 0 157 117,-0.9 117,-0.2 1,-0.3 118,-0.1 0.845 100.9 -0.4 32.1 87.3 27.3 -40.2 115.0 50 260 A S T 3 S+ 0 0 33 1,-0.1 -1,-0.3 115,-0.1 116,-0.1 0.166 135.8 58.2 96.3 -24.4 24.3 -38.5 113.3 51 261 A N S < S+ 0 0 117 -3,-1.3 -2,-0.2 114,-0.1 -1,-0.1 0.217 79.6 135.2-115.5 5.5 26.3 -35.4 112.5 52 262 A T + 0 0 8 113,-0.1 2,-0.3 -4,-0.1 -5,-0.2 -0.258 27.9 160.0 -52.9 138.5 28.6 -37.6 110.6 53 263 A Y E -H 46 0C 79 -7,-1.3 -7,-2.0 108,-0.1 2,-0.3 -0.979 21.7-172.3-160.1 161.7 29.5 -36.1 107.3 54 264 A N E +H 45 0C 2 106,-0.3 106,-2.4 -2,-0.3 -9,-0.3 -0.950 28.7 107.2-152.2 165.0 32.1 -36.4 104.6 55 265 A G E -HI 44 159C 2 -11,-2.6 -11,-1.5 104,-0.3 2,-0.3 -0.935 55.3 -74.1 164.2-140.8 32.9 -34.4 101.4 56 266 A F E -HI 43 158C 38 102,-2.0 102,-2.1 -13,-0.3 2,-0.5 -0.983 19.2-140.5-156.3 149.8 35.4 -31.9 100.0 57 267 A S E -HI 42 157C 13 -15,-2.7 -15,-2.4 -2,-0.3 100,-0.2 -0.969 27.9-149.7-115.9 130.3 36.3 -28.2 100.4 58 268 A T E - 0 0 0 98,-2.6 98,-0.1 -2,-0.5 -18,-0.1 -0.546 23.7-124.8-100.5 164.9 37.3 -26.5 97.1 59 269 A P E S+ 0 0 11 0, 0.0 -23,-0.6 0, 0.0 380,-0.3 0.404 84.9 97.4 -83.4 -0.4 39.7 -23.6 96.2 60 270 A W E - 0 0 0 96,-0.2 96,-3.5 378,-0.1 378,-0.2 -0.620 58.7-155.1 -96.0 152.6 36.7 -21.9 94.6 61 271 A G E -JI 437 155C 0 376,-3.6 376,-1.8 94,-0.3 2,-0.3 -0.486 14.3-152.8-108.7-178.7 34.3 -19.2 95.8 62 272 A Y E -J 436 0C 10 92,-1.0 2,-0.4 374,-0.2 374,-0.2 -0.967 15.9-118.7-163.1 144.5 30.8 -18.6 94.5 63 273 A F E -J 435 0C 0 372,-1.9 372,-0.6 -2,-0.3 2,-0.4 -0.677 28.6-173.7 -86.1 135.5 28.1 -15.9 94.1 64 274 A D B +m 142 0D 7 77,-0.6 79,-0.7 -2,-0.4 370,-0.0 -0.990 20.8 162.6-131.2 122.2 24.9 -16.5 96.0 65 275 A F + 0 0 0 -2,-0.4 2,-0.9 77,-0.2 5,-0.1 0.038 35.0 126.5-124.0 26.1 21.8 -14.2 95.6 66 276 A N + 0 0 5 69,-0.1 340,-0.8 340,-0.1 2,-0.4 -0.045 49.9 89.6 -80.3 38.6 19.3 -16.6 97.1 67 277 A R B > S-N 405 0E 78 -2,-0.9 3,-2.3 338,-0.2 4,-0.4 -0.992 72.3-137.6-135.8 126.5 18.0 -14.0 99.6 68 278 A F G >> S+ 0 0 0 336,-1.8 3,-2.1 -2,-0.4 4,-1.9 0.841 101.5 61.1 -50.3 -41.9 15.1 -11.6 98.9 69 279 A H G 34 S+ 0 0 4 333,-1.0 -1,-0.3 1,-0.3 334,-0.1 0.577 88.8 74.4 -67.4 -4.0 16.8 -8.6 100.6 70 280 A C G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.745 113.2 21.9 -74.6 -23.4 19.6 -8.9 98.0 71 281 A H T <4 S+ 0 0 12 -3,-2.1 2,-0.2 -4,-0.4 -45,-0.2 0.817 115.4 56.9-112.7 -51.5 17.2 -7.5 95.5 72 282 A F < - 0 0 3 -4,-1.9 -1,-0.1 330,-0.2 -56,-0.0 -0.591 68.0-138.1 -89.0 152.0 14.5 -5.5 97.1 73 283 A S > - 0 0 53 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.503 37.0 -96.9 -92.3 168.6 14.9 -2.5 99.5 74 284 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.963 126.6 46.5 -50.9 -59.0 12.7 -2.1 102.6 75 285 A R H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.851 112.1 51.9 -49.9 -45.2 10.4 0.3 100.8 76 286 A D H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.971 106.7 51.0 -57.9 -56.5 10.2 -2.0 97.8 77 287 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.850 112.4 50.4 -50.1 -34.9 9.3 -5.1 99.8 78 288 A Q H X S+ 0 0 49 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.972 110.6 46.6 -68.0 -55.1 6.6 -3.0 101.3 79 289 A R H >X S+ 0 0 91 -4,-3.0 3,-1.2 1,-0.2 4,-0.8 0.973 113.6 50.4 -46.1 -65.1 5.3 -1.8 98.0 80 290 A L H >< S+ 0 0 0 -4,-3.1 3,-0.6 1,-0.3 4,-0.5 0.834 115.0 41.3 -40.8 -51.8 5.4 -5.4 96.7 81 291 A I H 3< S+ 0 0 0 -4,-2.3 439,-0.5 -5,-0.3 438,-0.5 0.624 107.5 56.9 -82.3 -13.9 3.5 -6.9 99.6 82 292 A N H << S+ 0 0 10 -4,-1.8 -1,-0.2 -3,-1.2 -2,-0.2 0.485 118.7 28.1 -95.3 -0.5 0.8 -4.3 100.3 83 293 A N S << S+ 0 0 78 -4,-0.8 395,-0.9 -3,-0.6 2,-0.4 0.323 105.2 73.3-140.4 10.1 -0.7 -4.4 96.8 84 294 A N E -E 477 0B 0 -4,-0.5 393,-0.2 393,-0.2 436,-0.2 -0.981 53.5-154.6-137.6 129.2 -0.1 -7.8 95.3 85 295 A W E S- 0 0 26 391,-1.4 2,-0.2 -2,-0.4 123,-0.1 0.104 81.4 -15.1 -82.1 23.7 -1.7 -11.2 95.9 86 296 A G E - 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