==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 27-MAR-11 3RA8 . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS - 8; . AUTHOR H.-J.NAM,B.GURDA,R.MCKENNA,M.PORTER,B.BYRNE,M.SALGANIK,N.MUZ . 519 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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 . 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.1 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 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 . 2 0 3 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 . 3 2 4 3 4 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 . 8 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 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 1 220 A D 0 0 154 0, 0.0 2,-0.2 0, 0.0 190,-0.1 0.000 360.0 360.0 360.0 72.4 79.2 -81.8 41.0 2 221 A G > - 0 0 30 3,-0.2 3,-0.5 4,-0.1 5,-0.0 -0.644 360.0-112.1-122.8 168.8 77.3 -79.3 38.9 3 222 A V T 3 S+ 0 0 98 -2,-0.2 187,-0.1 1,-0.2 -1,-0.1 0.875 117.3 41.7 -64.2 -39.1 75.5 -78.9 35.7 4 223 A G T 3 S+ 0 0 84 2,-0.1 2,-0.4 186,-0.0 -1,-0.2 0.336 101.4 82.7 -95.4 5.9 78.1 -76.7 34.2 5 224 A S S < S- 0 0 78 -3,-0.5 -3,-0.2 2,-0.0 2,-0.1 -0.931 75.1-125.3-119.5 130.9 81.2 -78.5 35.4 6 225 A S - 0 0 75 -2,-0.4 -4,-0.1 1,-0.1 -2,-0.1 -0.429 11.2-158.6 -72.1 144.8 82.8 -81.5 33.8 7 226 A S + 0 0 17 184,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.279 68.7 24.3-105.8 8.9 83.3 -84.6 36.0 8 227 A G - 0 0 8 92,-0.1 2,-0.2 184,-0.0 -1,-0.1 -0.986 62.0-137.7-162.8 166.9 86.0 -86.3 34.0 9 228 A N - 0 0 112 -2,-0.3 2,-0.8 -3,-0.1 91,-0.0 -0.751 36.9 -94.3-127.8 171.0 88.8 -85.8 31.6 10 229 A W - 0 0 126 -2,-0.2 2,-0.6 16,-0.0 16,-0.1 -0.775 39.6-178.9 -97.9 112.9 89.9 -87.8 28.7 11 230 A H + 0 0 100 -2,-0.8 2,-0.3 14,-0.1 453,-0.2 -0.915 18.3 146.0-113.5 114.7 92.5 -90.3 29.3 12 231 A C + 0 0 52 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.841 32.2 114.9-142.3 101.9 93.8 -92.4 26.4 13 232 A D E -A 24 0A 109 11,-1.1 11,-2.4 -2,-0.3 2,-0.3 -0.918 47.4-135.6-153.0 171.0 97.4 -93.3 26.7 14 233 A S E -A 23 0A 25 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 14.8-172.4-137.2 139.2 100.0 -96.0 27.1 15 234 A T E -A 22 0A 54 7,-2.1 7,-2.5 -2,-0.3 2,-0.5 -0.995 9.9-153.6-129.7 133.1 103.1 -96.0 29.4 16 235 A W E +A 21 0A 72 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.901 14.5 175.7-108.1 125.5 105.8 -98.6 29.4 17 236 A L - 0 0 104 3,-2.6 2,-2.3 -2,-0.5 4,-0.1 -0.089 50.7-108.1-120.1 30.5 107.7 -99.2 32.5 18 237 A G S S+ 0 0 64 1,-0.2 3,-0.1 2,-0.2 -2,-0.0 -0.302 113.9 33.4 74.8 -58.8 109.9 -102.0 31.5 19 238 A D S S+ 0 0 83 -2,-2.3 451,-2.5 1,-0.1 2,-0.3 0.496 126.4 35.8-105.8 -2.2 108.2 -104.7 33.6 20 239 A R E - B 0 469A 49 449,-0.2 -3,-2.6 70,-0.0 2,-0.4 -0.952 60.3-158.8-135.3 159.1 104.8 -103.3 33.3 21 240 A V E -AB 16 468A 0 447,-1.6 447,-2.7 -2,-0.3 2,-0.5 -0.991 11.3-155.0-131.3 140.3 102.7 -101.5 30.7 22 241 A I E -AB 15 467A 33 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.970 7.9-165.3-117.5 129.5 99.7 -99.5 31.6 23 242 A T E -AB 14 466A 1 443,-2.4 443,-2.4 -2,-0.5 2,-0.4 -0.926 6.0-177.4-116.0 135.4 96.9 -98.9 29.1 24 243 A T E +AB 13 465A 20 -11,-2.4 -11,-1.1 -2,-0.4 2,-0.3 -0.997 4.6 175.5-128.2 135.8 94.2 -96.3 29.4 25 244 A S E - B 0 464A 3 439,-2.0 439,-2.1 -2,-0.4 2,-0.4 -1.000 12.0-167.1-142.7 147.1 91.3 -95.6 27.0 26 245 A T E + B 0 463A 0 -2,-0.3 2,-0.3 437,-0.2 437,-0.2 -0.978 12.5 175.4-127.5 140.3 88.3 -93.4 26.9 27 246 A R E - B 0 462A 6 435,-1.7 435,-1.9 -2,-0.4 2,-0.4 -0.935 28.5-117.0-140.2 161.0 85.4 -93.7 24.5 28 247 A T E -cB 153 461A 34 124,-0.5 126,-2.1 122,-0.3 2,-0.3 -0.821 34.6-169.6-103.9 140.6 82.0 -92.0 24.0 29 248 A W E -cB 154 460A 0 431,-2.4 431,-1.6 -2,-0.4 2,-0.4 -0.885 17.3-154.8-132.1 158.5 78.9 -94.0 24.5 30 249 A A E -cB 155 459A 31 124,-1.6 126,-2.0 -2,-0.3 429,-0.2 -0.999 9.8-162.0-130.9 136.7 75.1 -93.8 23.9 31 250 A L E - B 0 458A 4 427,-2.9 427,-1.8 -2,-0.4 2,-0.1 -0.957 4.1-164.9-125.5 121.3 72.4 -95.7 25.7 32 251 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 402,-0.2 -0.390 36.7 -93.1 -84.2 169.6 68.9 -96.2 24.6 33 252 A T - 0 0 49 423,-0.4 2,-0.4 -2,-0.1 3,-0.1 -0.749 48.5-150.0 -79.6 132.3 65.9 -97.4 26.6 34 253 A Y > - 0 0 31 28,-0.7 3,-1.3 -2,-0.4 4,-0.3 -0.899 63.3 -2.2-113.8 131.9 65.8 -101.1 26.1 35 254 A N G > S- 0 0 28 -2,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.616 112.4 -79.6 74.0 9.6 62.7 -103.2 26.1 36 255 A N G 3 S- 0 0 118 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.840 88.0 -57.0 65.9 31.1 60.4 -100.4 26.8 37 256 A H G < S+ 0 0 42 -3,-1.3 2,-0.4 1,-0.2 -1,-0.3 0.663 113.5 115.2 78.1 15.9 61.3 -100.6 30.4 38 257 A L < - 0 0 57 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.2 -0.923 63.9-133.1-127.3 147.0 60.3 -104.2 30.8 39 258 A Y - 0 0 53 -2,-0.4 2,-0.4 22,-0.1 22,-0.2 -0.746 34.7-164.8 -83.2 138.6 61.7 -107.5 31.5 40 259 A K E -H 60 0B 87 20,-2.2 20,-2.1 -2,-0.4 2,-0.3 -0.990 19.3-124.4-131.6 139.1 60.4 -110.0 29.0 41 260 A Q E -H 59 0B 117 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.570 31.1-173.2 -73.5 133.2 60.4 -113.8 28.8 42 261 A I E +H 58 0B 55 16,-2.8 16,-2.7 -2,-0.3 2,-0.3 -0.987 8.4 167.1-129.4 140.5 61.9 -115.3 25.7 43 262 A S E -H 57 0B 48 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.965 20.9-153.8-142.6 159.0 62.1 -118.9 24.4 44 263 A N E +H 56 0B 63 12,-2.0 12,-1.5 -2,-0.3 2,-0.2 -0.994 24.6 175.7-132.7 138.4 63.0 -120.8 21.3 45 264 A G - 0 0 13 -2,-0.4 122,-0.1 10,-0.2 9,-0.1 -0.538 42.7 -91.6-129.8-169.2 61.4 -124.1 20.7 46 265 A T S S+ 0 0 80 -2,-0.2 6,-0.1 3,-0.1 7,-0.0 0.456 79.5 112.0 -92.8 -5.0 61.2 -126.8 18.1 47 266 A S S > S- 0 0 111 4,-0.1 3,-1.1 2,-0.1 -2,-0.1 -0.308 78.3 -0.4 -71.4 162.5 58.2 -125.7 16.2 48 267 A G T 3 S- 0 0 81 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.360 135.2 -18.1 59.5-136.7 58.6 -124.6 12.6 49 268 A G T 3 S+ 0 0 83 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.800 106.6 115.0 -63.9 -30.1 62.1 -124.6 11.3 50 269 A A < - 0 0 32 -3,-1.1 2,-0.3 1,-0.1 5,-0.0 0.070 49.4-153.7 -63.5 154.0 63.7 -124.8 14.7 51 270 A T > - 0 0 59 -6,-0.1 3,-1.6 1,-0.1 -1,-0.1 -0.788 27.7-109.1-127.6 161.4 65.7 -127.7 16.0 52 271 A N G > S+ 0 0 72 1,-0.3 3,-1.4 -2,-0.3 115,-0.1 0.806 111.2 65.8 -62.6 -32.7 66.5 -129.1 19.4 53 272 A D G 3 S+ 0 0 34 1,-0.3 -1,-0.3 244,-0.1 244,-0.1 0.705 104.9 46.2 -64.4 -19.7 70.1 -128.1 19.3 54 273 A N G < S+ 0 0 102 -3,-1.6 -1,-0.3 -9,-0.1 -2,-0.2 0.216 80.1 126.6-112.8 12.9 69.0 -124.5 19.4 55 274 A T < + 0 0 11 -3,-1.4 2,-0.3 -4,-0.1 -10,-0.2 -0.351 28.7 165.3 -73.4 151.2 66.4 -124.3 22.1 56 275 A Y E -H 44 0B 82 -12,-1.5 -12,-2.0 111,-0.1 2,-0.3 -0.990 27.5-154.1-158.4 158.4 66.5 -121.8 25.0 57 276 A F E +HI 43 163B 5 106,-0.5 106,-2.4 -2,-0.3 2,-0.3 -0.994 40.4 120.4-134.3 134.3 64.6 -120.1 27.8 58 277 A G E -HI 42 162B 0 -16,-2.7 -16,-2.8 -2,-0.3 2,-0.3 -0.937 46.9-103.9-168.4-175.5 65.6 -116.8 29.1 59 278 A Y E -HI 41 161B 39 102,-1.7 102,-1.8 -2,-0.3 2,-0.3 -0.957 14.7-146.5-132.7 153.0 64.8 -113.2 29.8 60 279 A S E -HI 40 160B 19 -20,-2.1 -20,-2.2 -2,-0.3 100,-0.2 -0.903 23.4-156.0-115.6 150.4 65.6 -109.9 28.3 61 280 A T E - 0 0 0 98,-1.6 98,-0.2 -2,-0.3 -22,-0.1 -0.794 30.6-116.4-130.4 162.9 66.0 -106.8 30.4 62 281 A P E S+ 0 0 8 0, 0.0 -28,-0.7 0, 0.0 372,-0.3 0.555 85.7 96.8 -72.5 -10.4 65.9 -103.0 30.4 63 282 A W E - 0 0 0 96,-0.2 96,-2.4 370,-0.1 2,-0.3 -0.336 56.3-155.1 -85.4 164.9 69.6 -102.8 31.2 64 283 A G E -JI 432 158B 0 368,-2.1 368,-2.0 94,-0.3 2,-0.3 -0.786 13.8-144.2-128.5 167.5 72.7 -102.4 29.2 65 284 A Y E -J 431 0B 13 92,-1.6 2,-0.5 -2,-0.3 366,-0.2 -0.965 11.1-122.6-141.5 157.7 76.2 -103.5 30.0 66 285 A F E -J 430 0B 4 364,-1.9 364,-0.5 -2,-0.3 2,-0.4 -0.856 28.9-176.3-102.8 127.0 79.8 -102.3 29.6 67 286 A D + 0 0 7 77,-0.5 79,-1.4 -2,-0.5 362,-0.0 -0.985 23.9 156.3-128.2 124.0 82.2 -104.6 27.9 68 287 A F + 0 0 9 -2,-0.4 2,-1.1 77,-0.2 5,-0.2 -0.031 33.7 128.2-127.8 32.1 85.9 -104.2 27.3 69 288 A N + 0 0 8 332,-0.1 332,-0.5 4,-0.1 2,-0.3 -0.277 46.4 90.0 -89.2 52.1 86.9 -107.8 26.9 70 289 A R B > S-M 400 0C 66 -2,-1.1 3,-2.5 330,-0.2 4,-0.5 -0.983 77.1-128.6-142.8 132.4 88.8 -107.4 23.7 71 290 A F G >> S+ 0 0 0 328,-2.1 4,-2.1 325,-0.4 3,-1.5 0.793 105.8 60.5 -54.2 -29.6 92.5 -106.7 23.5 72 291 A H G 34 S+ 0 0 10 325,-1.2 -1,-0.3 1,-0.3 326,-0.1 0.475 85.5 75.1 -85.3 -0.2 92.1 -103.8 21.2 73 292 A C G <4 S+ 0 0 0 -3,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.731 116.4 20.6 -65.5 -31.2 90.0 -102.0 23.6 74 293 A H T <4 S+ 0 0 12 -3,-1.5 2,-0.5 -4,-0.5 -2,-0.2 0.725 115.2 63.9-115.0 -31.0 93.2 -101.4 25.3 75 294 A F < - 0 0 5 -4,-2.1 -1,-0.2 322,-0.2 -61,-0.0 -0.892 62.9-145.2-109.9 128.7 96.1 -101.8 22.9 76 295 A S > - 0 0 50 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.367 37.5-104.6 -73.9 161.8 96.8 -99.6 19.9 77 296 A P H > S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.884 122.0 48.2 -63.1 -40.3 98.3 -101.5 17.0 78 297 A R H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.876 110.9 52.2 -64.4 -38.5 101.8 -100.1 17.6 79 298 A D H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 107.6 50.9 -64.1 -41.3 101.5 -100.9 21.3 80 299 A W H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.871 108.5 54.4 -62.1 -37.5 100.6 -104.5 20.5 81 300 A Q H X S+ 0 0 39 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.887 105.8 51.2 -63.8 -40.1 103.6 -104.5 18.3 82 301 A R H X S+ 0 0 82 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.898 113.2 46.6 -62.5 -42.2 105.8 -103.4 21.1 83 302 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.950 114.9 41.4 -66.4 -52.7 104.5 -106.1 23.3 84 303 A I H < S+ 0 0 0 -4,-2.5 431,-0.5 1,-0.2 430,-0.5 0.808 113.4 52.6 -67.0 -35.0 104.6 -109.1 20.9 85 304 A N H < S+ 0 0 15 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.747 120.8 28.6 -68.7 -27.1 108.0 -108.3 19.5 86 305 A N H < S+ 0 0 87 -4,-0.8 387,-0.8 -3,-0.4 2,-0.4 0.512 103.7 69.3-119.1 -4.2 109.7 -108.0 22.8 87 306 A N E < -D 472 0A 12 -4,-1.2 428,-0.2 385,-0.2 385,-0.2 -0.956 51.3-153.2-128.2 139.8 108.2 -110.1 25.5 88 307 A W E S- 0 0 21 383,-1.7 119,-1.7 -2,-0.4 2,-0.3 0.689 82.7 -4.8 -69.0 -29.1 107.9 -113.7 26.3 89 308 A G E -DE 471 206A 0 382,-1.2 382,-2.6 117,-0.2 2,-0.3 -0.997 54.9-170.8-162.3 162.7 104.7 -113.2 28.3 90 309 A F E +DE 470 205A 0 115,-0.6 115,-2.6 -2,-0.3 380,-0.2 -0.985 5.4 174.4-153.4 159.3 102.1 -110.9 29.8 91 310 A R E -D 469 0A 27 378,-1.6 378,-3.1 -2,-0.3 2,-0.2 -0.971 34.4 -96.0-159.5 162.8 99.2 -110.8 32.0 92 311 A P E +D 468 0A 3 0, 0.0 376,-0.2 0, 0.0 110,-0.1 -0.565 30.5 174.2 -84.0 139.4 96.7 -108.4 33.6 93 312 A K E - 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