==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 14-JUN-07 2QA0 . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS - 8; . AUTHOR H.-J.NAM . 519 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 22.4 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 . 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 . 1 0.2 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 . 36 6.9 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 . 1 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 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 . 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 1 220 A D 0 0 153 0, 0.0 2,-0.3 0, 0.0 190,-0.1 0.000 360.0 360.0 360.0 93.1 78.3 -81.0 40.8 2 221 A G > - 0 0 30 3,-0.2 3,-1.3 188,-0.1 0, 0.0 -0.786 360.0-105.0-129.2 173.0 76.2 -78.6 38.8 3 222 A V T 3 S+ 0 0 93 1,-0.3 187,-0.1 -2,-0.3 -1,-0.1 0.897 120.7 45.1 -60.3 -41.4 74.4 -78.2 35.4 4 223 A G T 3 S+ 0 0 83 185,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.269 99.7 85.8 -89.2 12.7 77.2 -75.9 34.2 5 224 A S S < S- 0 0 78 -3,-1.3 -3,-0.2 2,-0.0 96,-0.1 -0.955 74.1-127.5-123.0 129.3 80.1 -78.0 35.4 6 225 A S - 0 0 76 -2,-0.5 -4,-0.1 1,-0.1 3,-0.1 -0.324 13.1-154.6 -60.8 145.5 81.8 -80.9 33.7 7 226 A S S S+ 0 0 12 1,-0.2 2,-0.3 184,-0.1 -1,-0.1 0.165 70.5 3.9-110.9 17.7 82.1 -83.9 35.9 8 227 A G - 0 0 8 92,-0.1 -1,-0.2 184,-0.1 2,-0.2 -0.890 67.1-120.2 173.1 157.1 85.1 -85.4 34.3 9 228 A N - 0 0 112 -2,-0.3 2,-0.8 -3,-0.1 91,-0.0 -0.610 38.6 -90.6-109.2 172.6 87.7 -85.0 31.6 10 229 A W - 0 0 120 -2,-0.2 2,-0.7 16,-0.1 453,-0.1 -0.733 41.9-175.5 -85.7 111.7 88.7 -87.0 28.5 11 230 A H + 0 0 93 -2,-0.8 2,-0.4 2,-0.0 453,-0.3 -0.923 19.4 147.3-113.2 107.0 91.4 -89.5 29.5 12 231 A C + 0 0 48 -2,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.948 29.5 100.2-140.9 112.6 92.8 -91.4 26.5 13 232 A D E -A 24 0A 108 11,-2.4 11,-2.4 -2,-0.4 2,-0.3 -0.976 50.1-130.5-175.4 178.4 96.4 -92.4 26.7 14 233 A S E -A 23 0A 23 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.977 15.1-170.4-151.1 137.3 98.9 -95.1 27.3 15 234 A T E -A 22 0A 57 7,-1.9 7,-2.7 -2,-0.3 2,-0.5 -1.000 9.9-153.1-135.1 134.2 102.1 -95.0 29.5 16 235 A W E +A 21 0A 77 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.925 19.2 168.3-107.2 127.0 104.8 -97.7 29.6 17 236 A L - 0 0 131 3,-2.4 2,-0.3 -2,-0.5 4,-0.2 0.516 56.9 -79.7-118.9 -6.7 106.7 -97.9 32.8 18 237 A G S S+ 0 0 59 2,-1.1 -1,-0.0 0, 0.0 0, 0.0 -0.787 115.5 9.4 147.2 -99.2 108.8 -101.0 32.8 19 238 A D S S+ 0 0 79 -2,-0.3 451,-3.3 450,-0.1 2,-0.3 0.153 127.3 65.1 -98.3 18.7 107.1 -104.2 33.7 20 239 A R E - B 0 469A 56 449,-0.3 -3,-2.4 70,-0.0 -2,-1.1 -0.956 55.3-171.8-137.7 156.0 103.8 -102.3 33.5 21 240 A V E -AB 16 468A 0 447,-1.8 447,-3.0 -2,-0.3 2,-0.6 -0.972 13.0-154.4-144.8 130.4 101.7 -100.5 30.8 22 241 A I E -AB 15 467A 33 -7,-2.7 -7,-1.9 -2,-0.3 2,-0.3 -0.947 8.3-164.4-113.8 122.4 98.7 -98.5 31.7 23 242 A T E -AB 14 466A 0 443,-2.7 443,-2.0 -2,-0.6 2,-0.4 -0.788 6.3-176.5-103.2 148.2 96.0 -98.0 29.1 24 243 A T E +AB 13 465A 20 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.4 -0.968 4.5 173.8-145.6 124.7 93.3 -95.4 29.3 25 244 A S E - B 0 464A 4 439,-2.3 439,-2.3 -2,-0.4 2,-0.3 -0.998 10.6-169.0-139.3 141.8 90.4 -94.9 27.0 26 245 A T E + B 0 463A 0 -2,-0.4 2,-0.3 437,-0.2 437,-0.2 -0.923 10.4 178.6-122.6 147.7 87.3 -92.7 26.9 27 246 A R E - B 0 462A 6 435,-2.0 435,-2.0 -2,-0.3 2,-0.5 -0.956 28.8-119.5-145.2 160.1 84.4 -92.9 24.6 28 247 A T E - B 0 461A 34 124,-0.5 126,-2.0 -2,-0.3 2,-0.3 -0.892 37.1-169.5-102.7 133.3 81.1 -91.0 24.1 29 248 A W E -cB 154 460A 0 431,-2.9 431,-1.4 -2,-0.5 2,-0.4 -0.799 16.8-150.9-123.3 165.9 78.0 -93.3 24.4 30 249 A A E -cB 155 459A 32 124,-1.7 126,-2.5 -2,-0.3 429,-0.2 -0.998 8.0-166.5-135.9 136.6 74.3 -93.1 23.8 31 250 A L E - B 0 458A 3 427,-3.0 427,-2.5 -2,-0.4 2,-0.1 -0.964 5.7-167.0-129.2 116.9 71.6 -95.0 25.7 32 251 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 402,-0.3 -0.259 39.7 -86.2 -88.4-178.3 68.0 -95.3 24.4 33 252 A T - 0 0 44 423,-0.2 2,-0.3 400,-0.1 3,-0.3 -0.806 50.5-150.2 -88.1 127.6 65.0 -96.5 26.3 34 253 A Y > - 0 0 34 28,-0.7 3,-1.9 -2,-0.5 4,-0.2 -0.793 66.3 -1.3-103.6 146.6 64.9 -100.3 26.0 35 254 A N G > S- 0 0 25 -2,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.689 117.7 -75.2 54.3 21.3 61.8 -102.5 26.0 36 255 A N G 3 S- 0 0 108 1,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.898 90.9 -56.8 58.5 38.6 59.6 -99.5 26.5 37 256 A H G < S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.526 116.2 121.7 70.0 7.4 60.8 -99.5 30.2 38 257 A L < - 0 0 59 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.2 -0.608 63.6-131.6-106.7 163.8 59.6 -103.1 30.5 39 258 A Y - 0 0 54 -2,-0.2 2,-0.4 22,-0.2 22,-0.2 -0.904 32.1-165.2-104.0 134.5 60.8 -106.5 31.3 40 259 A K E -G 60 0B 82 20,-2.4 20,-2.3 -2,-0.5 2,-0.4 -0.981 22.2-129.7-132.1 135.2 59.6 -109.1 28.7 41 260 A Q E -G 59 0B 127 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.633 32.6-169.4 -73.6 127.5 59.6 -112.9 28.7 42 261 A I E +G 58 0B 58 16,-2.3 16,-2.5 -2,-0.4 2,-0.3 -0.962 10.6 166.6-122.9 143.9 61.2 -114.0 25.5 43 262 A S E -G 57 0B 44 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.965 23.0-163.4-152.0 161.6 61.1 -117.5 24.2 44 263 A N E +G 56 0B 59 12,-2.1 12,-2.1 -2,-0.3 125,-0.1 -0.872 20.7 175.0-153.4 115.2 61.8 -119.7 21.1 45 264 A G - 0 0 10 -2,-0.3 9,-0.1 10,-0.2 122,-0.1 -0.098 46.9 -82.1-104.9-155.0 60.5 -123.2 20.8 46 265 A T S S+ 0 0 91 -2,-0.1 6,-0.1 3,-0.0 7,-0.0 0.212 85.1 112.9-100.4 14.2 60.4 -125.9 18.2 47 266 A S S > S+ 0 0 102 4,-0.1 3,-1.3 2,-0.1 0, 0.0 -0.113 72.5 12.3 -75.3-178.9 57.4 -124.6 16.2 48 267 A G T 3 S- 0 0 89 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.269 133.2 -41.0 50.1-128.7 57.6 -123.3 12.7 49 268 A G T 3 S+ 0 0 81 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.474 98.3 129.8-106.5 -5.4 61.1 -124.3 11.4 50 269 A A < - 0 0 32 -3,-1.3 5,-0.0 1,-0.1 2,-0.0 -0.309 54.1-135.4 -55.5 116.9 63.0 -123.5 14.6 51 270 A T > - 0 0 65 -2,-0.2 3,-1.3 1,-0.1 -4,-0.1 -0.285 15.4-115.4 -72.2 160.2 65.1 -126.6 15.5 52 271 A N G > S+ 0 0 69 1,-0.3 3,-1.6 2,-0.2 115,-0.1 0.804 110.8 69.4 -65.5 -31.7 65.4 -128.0 19.0 53 272 A D G 3 S+ 0 0 29 1,-0.3 -1,-0.3 244,-0.1 244,-0.1 0.668 103.6 45.5 -61.8 -15.3 69.1 -127.1 19.1 54 273 A N G < S+ 0 0 102 -3,-1.3 -1,-0.3 -9,-0.1 -2,-0.2 0.247 80.4 126.6-114.0 12.9 68.1 -123.5 19.3 55 274 A T < + 0 0 7 -3,-1.6 2,-0.3 -5,-0.0 -10,-0.2 -0.268 31.4 161.1 -68.6 158.5 65.3 -123.4 21.8 56 275 A Y E -G 44 0B 83 -12,-2.1 -12,-2.1 111,-0.3 2,-0.3 -0.972 29.7-153.8-172.7 159.6 65.5 -121.0 24.8 57 276 A F E +GH 43 163B 5 106,-0.6 106,-2.6 -2,-0.3 2,-0.3 -0.994 40.0 108.5-142.3 132.7 63.7 -119.2 27.5 58 277 A G E -GH 42 162B 0 -16,-2.5 -16,-2.3 -2,-0.3 2,-0.3 -0.884 51.3 -88.5-171.7-156.8 64.7 -115.9 29.2 59 278 A Y E -GH 41 161B 37 102,-2.3 102,-2.4 -2,-0.3 2,-0.4 -0.996 12.6-143.7-144.4 147.3 64.0 -112.2 29.6 60 279 A S E -GH 40 160B 16 -20,-2.3 -20,-2.4 -2,-0.3 100,-0.2 -0.884 28.6-154.2-101.7 140.2 64.9 -109.0 27.9 61 280 A T E - 0 0 0 98,-2.3 98,-0.2 -2,-0.4 -22,-0.2 -0.780 27.8-119.3-119.3 163.1 65.3 -106.0 30.4 62 281 A P E S+ 0 0 5 0, 0.0 -28,-0.7 0, 0.0 372,-0.3 0.411 85.8 100.1 -76.3 2.0 65.0 -102.2 30.2 63 282 A W E - 0 0 0 96,-0.3 96,-3.5 370,-0.1 -2,-0.2 -0.583 56.1-157.4 -96.1 154.8 68.6 -102.0 31.1 64 283 A G E -IH 432 158B 0 368,-3.9 368,-2.4 94,-0.3 2,-0.3 -0.588 13.7-152.2-113.0 177.7 71.8 -101.4 29.1 65 284 A Y E -I 431 0B 13 92,-1.3 2,-0.4 366,-0.3 366,-0.2 -0.997 14.0-118.8-155.0 151.1 75.3 -102.4 30.1 66 285 A F E -I 430 0B 3 364,-2.3 364,-0.7 -2,-0.3 2,-0.4 -0.749 29.6-179.1 -94.0 140.9 78.9 -101.4 29.6 67 286 A D + 0 0 6 77,-0.4 79,-1.5 -2,-0.4 362,-0.0 -0.996 23.6 158.7-141.3 129.4 81.4 -103.8 27.9 68 287 A F + 0 0 7 -2,-0.4 2,-1.6 77,-0.2 5,-0.2 -0.083 32.8 132.1-137.7 30.8 85.0 -103.3 27.2 69 288 A N + 0 0 9 332,-0.1 2,-0.3 4,-0.1 72,-0.1 -0.577 49.9 88.0 -84.0 70.0 86.0 -107.1 26.9 70 289 A R S > S- 0 0 66 -2,-1.6 3,-2.2 330,-0.2 4,-0.3 -0.795 78.7-130.9-168.6 120.8 87.9 -106.6 23.7 71 290 A F G >> S+ 0 0 0 328,-2.1 4,-2.5 325,-0.5 3,-2.4 0.837 103.6 63.2 -53.3 -37.3 91.6 -105.7 23.6 72 291 A H G 34 S+ 0 0 9 325,-1.7 -1,-0.3 1,-0.3 326,-0.1 0.563 87.2 74.1 -68.7 -1.7 91.1 -102.9 21.1 73 292 A C G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 324,-0.2 -2,-0.2 0.686 116.3 18.8 -77.4 -17.6 89.0 -101.1 23.7 74 293 A H T <4 S+ 0 0 13 -3,-2.4 2,-0.5 -4,-0.3 -50,-0.3 0.704 117.4 61.5-122.1 -37.2 92.3 -100.4 25.4 75 294 A F < - 0 0 4 -4,-2.5 -1,-0.2 322,-0.2 -61,-0.0 -0.850 66.4-143.5-103.3 132.9 95.2 -100.8 23.0 76 295 A S > - 0 0 46 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.387 38.1-101.1 -78.8 166.8 95.7 -98.7 19.9 77 296 A P H > S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.941 125.1 48.1 -56.4 -45.4 97.2 -100.6 17.0 78 297 A R H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 111.5 49.8 -62.2 -41.4 100.6 -99.2 17.6 79 298 A D H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 108.3 52.8 -64.2 -39.2 100.4 -100.0 21.3 80 299 A W H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.902 109.7 50.1 -62.0 -38.9 99.4 -103.6 20.5 81 300 A Q H X S+ 0 0 42 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.903 107.9 51.8 -66.3 -40.6 102.5 -103.7 18.3 82 301 A R H X S+ 0 0 82 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.894 113.7 46.9 -61.5 -38.4 104.7 -102.4 21.1 83 302 A L H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.9 0.976 115.7 39.7 -66.9 -59.5 103.3 -105.1 23.3 84 303 A I H 3< S+ 0 0 0 -4,-2.7 431,-0.6 1,-0.2 430,-0.5 0.712 112.0 55.3 -68.9 -23.8 103.5 -108.2 21.1 85 304 A N H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.625 120.4 26.9 -85.8 -9.2 106.9 -107.3 19.5 86 305 A N H << S+ 0 0 87 -3,-0.9 387,-1.0 -4,-0.5 2,-0.4 0.492 104.7 71.1-132.0 -2.3 108.7 -107.1 22.9 87 306 A N E < -D 472 0A 14 -4,-1.3 428,-0.2 385,-0.2 385,-0.2 -0.958 52.0-154.4-127.6 137.9 107.1 -109.1 25.6 88 307 A W E S- 0 0 25 383,-1.6 119,-1.4 -2,-0.4 2,-0.3 0.645 84.1 -14.5 -74.9 -14.9 106.9 -112.8 26.2 89 308 A G E -D 471 0A 0 382,-1.1 382,-2.6 117,-0.2 2,-0.3 -0.993 55.1-171.4-173.4 173.5 103.7 -112.2 28.1 90 309 A F E -D 470 0A 0 115,-0.5 115,-2.7 -2,-0.3 380,-0.2 -0.967 5.4-172.8-168.4 165.7 101.3 -109.8 29.9 91 310 A R E -D 469 0A 35 378,-1.4 378,-2.7 -2,-0.3 2,-0.2 -0.966 32.7 -93.0-167.6 153.7 98.2 -109.8 32.1 92 311 A P E +D 468 0A 3 0, 0.0 376,-0.2 0, 0.0 110,-0.1 -0.464 35.1 172.0 -72.7 141.0 95.6 -107.5 33.6 93 312 A K E - 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