==== 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 3RAA . 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) . 30038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 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 . 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 . 49 9.4 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 . 13 2.5 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+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 2 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 . 8 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 0 165 0, 0.0 2,-0.3 0, 0.0 190,-0.1 0.000 360.0 360.0 360.0 108.0 78.7 -81.1 41.2 2 221 A G > - 0 0 29 3,-0.4 3,-0.9 4,-0.1 0, 0.0 -0.922 360.0-100.9-149.2 173.9 76.5 -79.0 39.0 3 222 A V T 3 S+ 0 0 93 -2,-0.3 187,-0.1 1,-0.2 -1,-0.1 0.878 119.3 44.4 -65.0 -40.0 74.6 -78.7 35.7 4 223 A G T 3 S+ 0 0 81 2,-0.1 2,-0.5 186,-0.0 -1,-0.2 0.348 99.1 85.9 -89.6 8.3 77.2 -76.3 34.2 5 224 A S S < S- 0 0 77 -3,-0.9 -3,-0.4 2,-0.0 96,-0.1 -0.937 77.5-123.3-118.8 126.0 80.3 -78.2 35.4 6 225 A S - 0 0 76 -2,-0.5 -4,-0.1 1,-0.1 3,-0.1 -0.253 16.6-154.1 -54.4 143.6 82.0 -81.1 33.6 7 226 A S + 0 0 14 1,-0.2 2,-0.2 184,-0.1 -1,-0.1 -0.041 67.9 1.2-114.8 31.6 82.1 -84.1 35.8 8 227 A G - 0 0 10 92,-0.1 2,-0.3 184,-0.1 -1,-0.2 -0.854 68.0-116.2 163.5 162.0 85.2 -85.8 34.2 9 228 A N - 0 0 107 -2,-0.2 2,-1.0 -3,-0.1 91,-0.0 -0.775 35.6 -91.1-121.5 167.9 87.8 -85.5 31.5 10 229 A W + 0 0 124 -2,-0.3 2,-0.7 16,-0.1 453,-0.0 -0.641 43.9 178.3 -79.6 102.2 88.9 -87.4 28.4 11 230 A H + 0 0 93 -2,-1.0 2,-0.4 14,-0.1 453,-0.3 -0.907 17.6 144.4-109.4 104.7 91.5 -89.9 29.5 12 231 A C + 0 0 47 -2,-0.7 13,-0.3 13,-0.2 2,-0.3 -0.951 31.1 99.7-139.2 117.2 92.7 -92.0 26.6 13 232 A D E -A 24 0A 106 11,-2.4 11,-3.3 -2,-0.4 2,-0.3 -0.976 50.3-129.7-179.5 177.6 96.3 -93.0 26.6 14 233 A S E -A 23 0A 17 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 13.0-169.2-151.6 145.9 98.9 -95.6 27.4 15 234 A T E -A 22 0A 61 7,-1.5 7,-2.7 -2,-0.3 2,-0.6 -0.984 12.9-146.5-143.4 128.3 102.1 -95.6 29.4 16 235 A W E +A 21 0A 70 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.846 15.8 178.7 -98.4 123.8 104.8 -98.2 29.5 17 236 A L - 0 0 106 3,-2.7 2,-1.5 -2,-0.6 4,-0.1 -0.165 51.1 -97.7-118.6 42.3 106.6 -98.7 32.8 18 237 A G S S+ 0 0 67 1,-0.2 -1,-0.1 2,-0.1 454,-0.0 -0.653 115.3 17.1 84.0 -92.0 109.1 -101.4 32.3 19 238 A D S S+ 0 0 86 -2,-1.5 451,-4.0 -3,-0.1 2,-0.3 0.449 129.0 51.1 -96.5 0.7 107.2 -104.4 33.7 20 239 A R E - B 0 469A 51 449,-0.3 -3,-2.7 -3,-0.1 2,-0.3 -0.878 59.3-167.3-128.9 163.6 103.8 -102.8 33.6 21 240 A V E -AB 16 468A 0 447,-1.8 447,-3.0 -2,-0.3 2,-0.6 -0.955 12.2-150.7-149.5 130.5 101.8 -101.0 30.9 22 241 A I E -AB 15 467A 34 -7,-2.7 -7,-1.5 -2,-0.3 2,-0.4 -0.928 7.5-163.2-115.4 121.8 98.7 -98.9 31.7 23 242 A T E +AB 14 466A 0 443,-2.5 443,-2.9 -2,-0.6 2,-0.4 -0.833 10.2 176.2-103.9 136.0 96.0 -98.5 29.1 24 243 A T E +AB 13 465A 21 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.3 -0.985 4.3 165.7-135.7 143.2 93.3 -95.9 29.4 25 244 A S E - B 0 464A 3 439,-1.1 439,-1.9 -2,-0.4 2,-0.4 -0.957 17.1-159.6-162.0 142.3 90.6 -95.0 27.0 26 245 A T E + B 0 463A 0 -2,-0.3 2,-0.3 437,-0.2 437,-0.2 -0.957 11.4 179.9-124.4 142.5 87.4 -93.0 26.9 27 246 A R E - B 0 462A 6 435,-1.9 435,-2.0 -2,-0.4 2,-0.4 -0.932 27.3-119.7-136.6 158.1 84.4 -93.4 24.5 28 247 A T E - B 0 461A 33 124,-0.4 126,-2.1 122,-0.3 2,-0.3 -0.833 34.7-168.2 -99.9 139.6 81.1 -91.6 24.1 29 248 A W E -cB 154 460A 0 431,-3.3 431,-1.5 -2,-0.4 2,-0.4 -0.829 16.9-153.6-127.1 166.9 78.0 -93.6 24.5 30 249 A A E -cB 155 459A 31 124,-1.5 126,-2.0 -2,-0.3 429,-0.3 -0.999 9.5-161.3-139.3 133.5 74.3 -93.4 23.9 31 250 A L E - B 0 458A 3 427,-3.1 427,-2.3 -2,-0.4 124,-0.0 -0.973 5.4-165.9-123.1 124.6 71.6 -95.4 25.8 32 251 A P - 0 0 34 0, 0.0 2,-0.6 0, 0.0 402,-0.3 0.006 36.4 -90.9 -86.4-164.0 68.0 -95.8 24.5 33 252 A T - 0 0 45 400,-0.1 3,-0.4 424,-0.1 2,-0.3 -0.979 44.5-148.2-114.7 120.2 65.0 -97.1 26.4 34 253 A Y >> - 0 0 33 28,-0.7 3,-1.7 -2,-0.6 4,-0.5 -0.720 68.4 -6.6 -96.4 139.8 64.8 -100.9 26.1 35 254 A N G >4 S- 0 0 28 -2,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.667 114.5 -77.2 56.0 21.1 61.5 -102.8 26.0 36 255 A N G 34 S- 0 0 112 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.911 92.6 -52.8 56.6 40.6 59.6 -99.7 26.9 37 256 A H G <4 S+ 0 0 39 -3,-1.7 2,-0.4 1,-0.2 -1,-0.2 0.764 113.6 128.6 67.5 25.0 60.8 -100.1 30.5 38 257 A L << - 0 0 64 -3,-0.6 2,-0.6 -4,-0.5 -1,-0.2 -0.881 59.9-137.2-121.5 147.7 59.5 -103.7 30.6 39 258 A Y - 0 0 53 -2,-0.4 2,-0.4 22,-0.1 22,-0.2 -0.864 33.0-168.7 -94.1 122.8 60.8 -107.1 31.4 40 259 A K E -G 60 0B 88 20,-2.3 20,-2.8 -2,-0.6 2,-0.4 -0.929 21.7-125.9-119.9 143.4 59.6 -109.5 28.8 41 260 A Q E -G 59 0B 121 -2,-0.4 2,-0.4 18,-0.2 18,-0.3 -0.675 29.1-164.6 -80.7 130.9 59.7 -113.3 28.7 42 261 A I E +G 58 0B 56 16,-2.2 16,-3.0 -2,-0.4 2,-0.3 -0.945 14.5 162.8-121.1 144.1 61.4 -114.5 25.6 43 262 A S E -G 57 0B 48 -2,-0.4 2,-0.2 14,-0.2 14,-0.2 -0.993 23.7-169.3-157.0 154.4 61.2 -118.1 24.3 44 263 A N E +G 56 0B 58 12,-2.0 12,-1.1 123,-0.3 125,-0.1 -0.762 22.8 177.5-150.9 98.3 61.8 -120.2 21.1 45 264 A G - 0 0 7 -2,-0.2 122,-0.1 10,-0.2 123,-0.1 -0.006 50.1 -75.5 -88.9-163.1 60.6 -123.7 21.2 46 265 A T S S+ 0 0 97 3,-0.0 6,-0.1 6,-0.0 7,-0.1 0.503 90.1 118.2 -75.9 -3.8 60.5 -126.6 18.8 47 266 A S S > S- 0 0 105 4,-0.1 3,-1.1 2,-0.1 2,-0.4 -0.208 75.4 -10.5 -66.8 154.2 57.6 -125.0 16.8 48 267 A G T 3 S- 0 0 85 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.439 130.6 -24.7 63.2-114.9 57.8 -123.9 13.1 49 268 A G T 3 S+ 0 0 75 -2,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.626 98.6 118.9-105.2 -22.5 61.5 -124.1 11.9 50 269 A A < - 0 0 25 -3,-1.1 2,-0.2 -5,-0.1 5,-0.1 -0.249 59.7-141.3 -45.8 134.9 63.3 -123.7 15.2 51 270 A T > - 0 0 67 1,-0.1 3,-1.5 4,-0.0 -4,-0.1 -0.575 20.5-107.9 -95.0 161.2 65.3 -126.9 15.6 52 271 A N G > S+ 0 0 74 1,-0.3 3,-1.9 -2,-0.2 115,-0.1 0.880 115.3 65.2 -57.5 -41.0 65.6 -128.7 19.0 53 272 A D G 3 S+ 0 0 30 1,-0.3 -1,-0.3 243,-0.1 244,-0.1 0.490 104.4 49.0 -63.1 -0.3 69.3 -127.7 19.3 54 273 A N G < S+ 0 0 92 -3,-1.5 -1,-0.3 -9,-0.0 -2,-0.2 0.187 75.5 130.0-126.4 17.9 68.1 -124.1 19.5 55 274 A T < + 0 0 10 -3,-1.9 2,-0.3 -5,-0.1 -10,-0.2 -0.362 30.3 163.8 -69.6 152.6 65.4 -124.1 22.1 56 275 A Y E -G 44 0B 87 -12,-1.1 -12,-2.0 111,-0.5 2,-0.4 -0.971 27.7-159.0-167.7 155.6 65.6 -121.5 24.8 57 276 A F E +GH 43 163B 3 106,-0.6 106,-2.3 -2,-0.3 2,-0.2 -0.982 37.6 112.3-142.1 126.5 63.8 -119.7 27.6 58 277 A G E -GH 42 162B 0 -16,-3.0 -16,-2.2 -2,-0.4 2,-0.3 -0.807 49.2 -93.9-163.3-155.6 64.7 -116.4 29.2 59 278 A Y E -GH 41 161B 39 102,-2.0 102,-2.1 -18,-0.3 2,-0.5 -0.989 13.6-143.2-144.6 151.0 64.0 -112.7 29.7 60 279 A S E -GH 40 160B 17 -20,-2.8 -20,-2.3 -2,-0.3 100,-0.2 -0.961 25.8-152.7-113.7 133.0 64.9 -109.4 28.1 61 280 A T E - 0 0 0 98,-2.3 98,-0.1 -2,-0.5 -22,-0.1 -0.635 26.3-120.8-105.4 163.9 65.4 -106.6 30.6 62 281 A P E S+ 0 0 8 0, 0.0 -28,-0.7 0, 0.0 372,-0.4 0.326 85.9 102.1 -81.4 7.5 65.0 -102.8 30.2 63 282 A W E - 0 0 0 96,-0.3 96,-3.4 370,-0.1 370,-0.2 -0.644 56.8-156.8 -98.3 152.5 68.6 -102.6 31.2 64 283 A G E -IH 432 158B 0 368,-3.7 368,-2.1 94,-0.3 2,-0.3 -0.579 13.6-150.0-112.0 177.4 71.7 -102.0 29.2 65 284 A Y E -I 431 0B 11 92,-1.5 2,-0.4 366,-0.2 366,-0.2 -0.997 13.1-118.6-153.3 152.5 75.3 -103.0 30.1 66 285 A F E -I 430 0B 3 364,-2.3 364,-0.6 -2,-0.3 2,-0.4 -0.780 29.1-177.2 -95.3 136.9 78.9 -101.9 29.6 67 286 A D + 0 0 6 77,-0.5 79,-0.7 -2,-0.4 362,-0.0 -0.995 24.0 155.0-138.2 126.8 81.3 -104.3 27.8 68 287 A F + 0 0 8 -2,-0.4 2,-1.2 77,-0.2 5,-0.2 -0.084 31.8 131.6-137.0 33.0 85.0 -103.8 27.2 69 288 A N + 0 0 7 332,-0.1 332,-0.5 4,-0.1 2,-0.3 -0.327 48.1 88.1 -88.5 52.2 86.0 -107.4 26.9 70 289 A R B > S-L 400 0C 69 -2,-1.2 3,-2.3 330,-0.2 4,-0.4 -0.962 78.0-129.1-147.7 127.9 88.0 -107.1 23.7 71 290 A F G >> S+ 0 0 0 328,-1.8 4,-2.4 325,-0.4 3,-1.9 0.805 103.9 63.1 -49.8 -37.6 91.7 -106.2 23.7 72 291 A H G 34 S+ 0 0 11 325,-1.2 -1,-0.3 1,-0.3 326,-0.1 0.447 85.5 75.7 -73.2 5.6 91.4 -103.3 21.2 73 292 A C G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.737 116.1 18.4 -80.0 -23.3 89.2 -101.5 23.7 74 293 A H T <4 S+ 0 0 10 -3,-1.9 2,-0.4 -4,-0.4 -50,-0.2 0.803 116.6 61.5-114.2 -49.0 92.4 -100.8 25.4 75 294 A F < - 0 0 4 -4,-2.4 -1,-0.2 322,-0.2 -61,-0.0 -0.714 67.4-142.6 -91.0 134.7 95.4 -101.2 23.2 76 295 A S > - 0 0 47 -2,-0.4 4,-3.3 1,-0.1 5,-0.2 -0.407 36.3-102.3 -80.1 166.5 95.9 -99.2 20.0 77 296 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.951 124.8 49.0 -57.3 -46.8 97.4 -101.1 17.1 78 297 A R H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 112.9 47.6 -58.5 -44.3 100.8 -99.5 17.7 79 298 A D H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.944 109.1 53.2 -61.4 -48.5 100.6 -100.4 21.4 80 299 A W H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.873 110.1 49.9 -54.3 -36.4 99.5 -103.9 20.6 81 300 A Q H X S+ 0 0 43 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.950 108.7 50.1 -67.0 -49.4 102.6 -104.1 18.4 82 301 A R H X S+ 0 0 79 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.923 113.4 49.7 -52.8 -46.5 104.9 -102.8 21.1 83 302 A L H >X S+ 0 0 0 -4,-3.1 3,-1.2 1,-0.2 4,-1.1 0.980 114.7 38.7 -56.1 -67.0 103.4 -105.4 23.4 84 303 A I H 3< S+ 0 0 1 -4,-2.5 431,-0.6 1,-0.2 430,-0.5 0.724 111.4 56.7 -61.1 -29.2 103.7 -108.5 21.2 85 304 A N H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.611 118.7 28.8 -80.2 -11.7 107.1 -107.8 19.7 86 305 A N H << S+ 0 0 88 -3,-1.2 387,-1.0 -4,-0.7 2,-0.4 0.465 104.0 71.2-129.8 -0.2 108.9 -107.5 23.0 87 306 A N E < -D 472 0A 13 -4,-1.1 428,-0.3 385,-0.2 385,-0.2 -0.938 53.3-151.7-127.7 147.5 107.3 -109.6 25.7 88 307 A W E S- 0 0 20 383,-2.4 119,-0.9 -2,-0.4 2,-0.3 0.401 83.1 -23.7 -87.6 -0.3 107.0 -113.3 26.5 89 308 A G E -D 471 0A 0 382,-0.5 382,-1.9 117,-0.2 2,-0.3 -0.957 55.5-168.7 170.8 173.8 103.7 -112.7 28.2 90 309 A F E -D 470 0A 0 115,-0.3 115,-2.8 -2,-0.3 380,-0.2 -0.959 3.1-173.6-171.9 170.8 101.4 -110.4 30.0 91 310 A R E -D 469 0A 30 378,-1.1 378,-2.8 -2,-0.3 2,-0.2 -0.946 33.3 -89.4-172.3 157.4 98.2 -110.3 32.1 92 311 A P E +D 468 0A 3 0, 0.0 376,-0.2 0, 0.0 110,-0.2 -0.479 32.7 174.2 -77.7 144.8 95.7 -107.9 33.7 93 312 A K E - 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