==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 30-APR-12 3J1Q . COMPND 2 MOLECULE: ADENO-ASSOCIATED VIRUS DJ; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS; . AUTHOR T.F.LERCH,J.K.O'DONNELL,N.L.MEYER,Q.XIE,K.A.TAYLOR,S.M.STAGG . 517 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 43.1 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 . 113 21.9 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 . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.6 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 1 0 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 1 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 . 5 4 5 2 5 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 0 0 1 0 0 1 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 1 221 A V 0 0 138 0, 0.0 187,-0.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 -38.4 -43.2 1.1 81.3 2 222 A G + 0 0 85 2,-0.1 2,-0.3 186,-0.0 186,-0.0 -0.093 360.0 76.3 -98.0 34.3 -42.1 -2.5 80.8 3 223 A N S S- 0 0 112 3,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.989 80.7-116.6-146.4 133.3 -38.4 -1.8 80.4 4 224 A S - 0 0 98 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.344 22.3-132.6 -63.1 149.6 -35.7 -0.8 82.9 5 225 A S S S- 0 0 23 1,-0.3 2,-0.2 184,-0.1 -1,-0.1 0.248 73.5 -48.1 -89.9 14.9 -34.3 2.6 82.2 6 226 A G - 0 0 28 92,-0.1 -1,-0.3 184,-0.0 2,-0.2 -0.790 67.8 -70.1 143.1 173.6 -30.8 1.2 82.5 7 227 A N - 0 0 119 -2,-0.2 2,-1.2 -3,-0.1 0, 0.0 -0.568 44.8-101.6 -99.8 164.5 -28.4 -1.0 84.5 8 228 A W - 0 0 157 -2,-0.2 2,-1.0 2,-0.1 16,-0.1 -0.712 41.0-178.6 -85.4 94.4 -26.8 -0.5 88.0 9 229 A H + 0 0 97 -2,-1.2 2,-0.3 14,-0.1 14,-0.0 -0.806 21.0 142.8 -99.6 95.7 -23.3 0.5 87.1 10 230 A C + 0 0 51 -2,-1.0 2,-0.3 13,-0.1 13,-0.2 -0.808 22.0 114.7-138.9 99.2 -21.5 1.0 90.4 11 231 A D - 0 0 68 -2,-0.3 11,-1.6 2,-0.0 2,-0.4 -0.879 52.1-122.9-150.0-179.6 -17.8 -0.0 90.7 12 232 A S E +A 21 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 34.1 172.2-131.2 130.9 -14.3 1.0 91.2 13 233 A T E -A 20 0A 61 7,-1.8 7,-1.7 -2,-0.4 2,-0.5 -0.997 21.6-155.2-144.7 147.9 -11.7 0.2 88.7 14 234 A W E +A 19 0A 64 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.971 14.4 172.1-126.6 116.2 -8.1 1.0 88.0 15 235 A M - 0 0 132 3,-1.0 2,-0.3 -2,-0.5 4,-0.1 0.384 66.7 -78.9-101.1 1.7 -6.7 0.8 84.5 16 236 A G S S+ 0 0 56 2,-0.8 -1,-0.0 0, 0.0 0, 0.0 -0.835 109.8 10.8 145.4-105.6 -3.3 2.4 85.4 17 237 A D S S+ 0 0 96 -2,-0.3 451,-0.9 -3,-0.1 2,-0.3 0.379 122.1 64.6 -90.7 2.9 -2.8 6.1 85.9 18 238 A R E - B 0 467A 70 449,-0.2 -3,-1.0 447,-0.0 -2,-0.8 -0.862 64.6-158.0-123.9 159.8 -6.5 6.7 85.9 19 239 A V E -AB 14 466A 10 447,-0.7 447,-1.9 -2,-0.3 2,-0.3 -0.973 3.6-161.4-142.7 125.3 -9.3 5.7 88.1 20 240 A I E +AB 13 465A 18 -7,-1.7 -7,-1.8 -2,-0.4 2,-0.3 -0.791 15.8 174.6-104.5 147.7 -13.0 5.4 87.3 21 241 A T E +AB 12 464A 5 443,-1.0 443,-2.2 -2,-0.3 2,-0.3 -0.994 11.2 167.2-156.2 148.4 -15.7 5.4 89.9 22 242 A T E - B 0 463A 3 -11,-1.6 2,-0.4 -2,-0.3 441,-0.2 -0.983 12.9-159.9-156.4 152.0 -19.4 5.4 90.2 23 243 A S - 0 0 13 439,-0.6 2,-0.3 -2,-0.3 439,-0.3 -0.975 9.0-150.7-142.5 123.0 -21.9 4.8 93.0 24 244 A T + 0 0 1 -2,-0.4 2,-0.3 437,-0.2 437,-0.2 -0.697 24.1 170.1 -91.0 145.0 -25.6 3.9 92.5 25 245 A R E -C 460 0A 10 435,-2.2 435,-2.4 -2,-0.3 2,-0.5 -0.989 29.5-123.0-155.0 148.3 -28.0 5.0 95.3 26 246 A T E +Cd 459 151A 38 124,-0.6 126,-1.5 122,-0.4 433,-0.3 -0.841 31.6 179.6-104.2 128.0 -31.7 5.2 95.8 27 247 A W E -Cd 458 152A 16 431,-2.9 431,-1.7 -2,-0.5 2,-0.3 -0.526 14.8-143.1-114.7 179.0 -33.4 8.4 96.6 28 248 A A E -Cd 457 153A 33 124,-1.2 126,-1.1 429,-0.2 429,-0.3 -0.942 8.5-139.8-141.7 160.7 -36.9 9.8 97.4 29 249 A L E -C 456 0A 7 427,-2.2 427,-1.5 -2,-0.3 2,-0.3 -0.928 13.7-176.9-137.7 118.4 -38.8 13.0 96.7 30 250 A P - 0 0 40 0, 0.0 402,-0.2 0, 0.0 425,-0.1 -0.771 27.1-120.4-105.4 148.3 -41.2 15.0 98.9 31 251 A T - 0 0 32 423,-0.5 2,-0.4 -2,-0.3 30,-0.1 -0.240 29.5-139.0 -76.9 174.6 -43.1 18.1 97.9 32 252 A Y >> - 0 0 39 28,-0.2 3,-1.8 1,-0.1 4,-1.1 -0.983 64.8 -14.9-146.2 135.4 -42.6 21.3 99.8 33 253 A N T 34 S- 0 0 36 -2,-0.4 -1,-0.1 1,-0.3 25,-0.0 0.820 115.9 -74.4 48.5 29.6 -44.7 24.1 101.1 34 254 A N T 34 S- 0 0 92 1,-0.2 -1,-0.3 26,-0.1 3,-0.1 0.904 94.2 -48.2 49.9 48.9 -47.3 22.6 98.8 35 255 A H T <4 S+ 0 0 33 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.921 111.1 129.9 60.8 46.8 -45.5 24.1 95.8 36 256 A L < - 0 0 100 -4,-1.1 -1,-0.2 22,-0.0 2,-0.1 -0.967 51.7-128.6-133.8 151.2 -45.2 27.5 97.3 37 257 A Y - 0 0 67 -2,-0.3 2,-0.3 22,-0.1 22,-0.2 -0.315 24.6-162.5 -88.6 175.0 -42.5 30.0 97.8 38 258 A K - 0 0 100 20,-0.5 2,-0.4 -2,-0.1 -1,-0.0 -0.935 18.1-131.0-151.2 173.3 -41.4 31.8 101.0 39 259 A Q - 0 0 120 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.995 25.3-165.1-129.5 134.4 -39.6 34.6 102.6 40 260 A I B +I 56 0B 32 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.956 29.5 115.5-137.2 127.0 -37.2 34.1 105.4 41 261 A S S S- 0 0 7 -2,-0.4 2,-1.7 14,-0.2 3,-0.2 -0.721 89.1 -23.2-153.4-165.7 -35.5 36.5 108.0 42 262 A N S S+ 0 0 33 12,-0.4 2,-0.1 123,-0.3 11,-0.1 -0.399 109.8 102.5 -59.3 92.8 -35.8 36.7 111.7 43 263 A S S S+ 0 0 56 -2,-1.7 2,-7.2 0, 0.0 3,-0.1 0.050 83.5 26.9-137.3-110.4 -39.2 35.0 111.3 44 264 A T S S+ 0 0 132 -3,-0.2 -2,-0.1 1,-0.1 -4,-0.0 -0.172 123.5 158.0 -63.0 56.0 -39.2 31.3 112.2 45 265 A S S S- 0 0 87 -2,-7.2 2,-0.3 1,-0.2 -1,-0.1 0.884 70.6-132.0 -51.7-154.8 -36.4 32.8 114.3 46 266 A G - 0 0 49 -3,-0.1 -1,-0.2 1,-0.0 3,-0.1 -0.590 57.0-107.0-172.4 175.2 -33.9 33.2 117.0 47 267 A G - 0 0 64 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.978 67.4 -12.3 -95.9 -59.1 -34.1 36.8 118.3 48 268 A S + 0 0 115 -3,-0.0 2,-0.3 5,-0.0 -1,-0.2 -0.821 65.0 124.6-154.9 111.1 -31.7 39.7 117.7 49 269 A S > - 0 0 47 -2,-0.3 3,-1.4 -3,-0.1 246,-0.1 -0.816 41.8-153.6-165.6 116.1 -28.2 39.5 116.3 50 270 A N T 3 S+ 0 0 115 1,-0.3 3,-0.5 -2,-0.3 115,-0.2 0.715 108.6 56.9 -64.8 -15.4 -27.0 41.5 113.3 51 271 A D T 3 S+ 0 0 72 1,-0.2 -1,-0.3 243,-0.1 244,-0.1 0.606 110.3 39.9 -87.8 -18.2 -24.7 38.5 113.3 52 272 A N S < S+ 0 0 124 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 -0.087 88.9 119.5-122.2 33.1 -27.5 36.0 113.1 53 273 A A + 0 0 10 -3,-0.5 2,-0.3 -5,-0.1 113,-0.1 -0.748 36.7 169.5 -96.5 147.0 -29.7 38.0 110.7 54 274 A Y - 0 0 66 111,-0.4 -12,-0.4 -2,-0.3 2,-0.3 -0.965 23.6-158.8-152.3 166.5 -30.6 36.4 107.3 55 275 A F + 0 0 8 -2,-0.3 106,-2.3 106,-0.2 2,-0.2 -0.834 34.2 119.1-156.6 113.4 -32.7 36.8 104.3 56 276 A G E -IJ 40 160B 5 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.856 46.7-102.9-155.9-170.2 -33.7 34.1 101.9 57 277 A Y E - J 0 159B 36 102,-1.6 102,-1.1 -2,-0.2 2,-0.6 -0.974 13.6-145.9-138.7 126.0 -36.4 32.1 100.1 58 278 A S E - J 0 158B 17 -2,-0.4 -20,-0.5 100,-0.2 100,-0.2 -0.755 26.8-161.6 -86.5 119.2 -37.5 28.5 100.6 59 279 A T E - J 0 157B 6 98,-2.4 98,-0.8 -2,-0.6 -22,-0.1 -0.792 30.3-117.9-106.5 150.4 -38.5 27.1 97.2 60 280 A P E S+ 0 0 6 0, 0.0 372,-0.3 0, 0.0 -28,-0.2 0.440 87.4 98.0 -60.9 2.1 -40.6 24.1 96.4 61 281 A W E - 0 0 8 96,-0.3 96,-1.2 370,-0.1 2,-0.3 -0.459 56.8-155.8 -96.1 168.8 -37.6 22.6 94.7 62 282 A G E -KJ 430 156B 2 368,-2.2 368,-1.3 94,-0.2 2,-0.3 -0.834 8.4-167.3-132.5 170.8 -34.9 20.2 95.7 63 283 A Y E -K 429 0B 22 92,-1.3 2,-0.3 -2,-0.3 366,-0.2 -0.908 25.4 -87.7-151.3 177.4 -31.3 19.4 94.7 64 284 A F - 0 0 18 364,-1.3 2,-0.4 -2,-0.3 364,-0.1 -0.746 24.1-166.8-101.1 143.5 -28.5 17.0 94.9 65 285 A D + 0 0 14 -2,-0.3 79,-1.0 77,-0.3 362,-0.0 -0.885 35.5 129.9-129.6 96.8 -25.8 16.9 97.6 66 286 A F + 0 0 13 -2,-0.4 2,-1.8 77,-0.2 5,-0.1 0.011 23.5 129.4-136.9 27.3 -22.7 14.8 96.8 67 287 A N + 0 0 7 332,-0.1 332,-0.3 331,-0.0 2,-0.3 -0.509 56.3 76.1 -86.1 70.8 -19.8 17.1 97.6 68 288 A R S S- 0 0 58 -2,-1.8 328,-0.1 330,-0.3 327,-0.1 -0.885 75.3-126.0-157.3-178.6 -17.9 14.7 99.8 69 289 A F S >> S+ 0 0 7 326,-1.0 3,-4.0 328,-0.8 4,-1.9 0.807 94.6 73.2-109.5 -41.7 -15.8 11.6 99.3 70 290 A H T 34 S+ 0 0 12 325,-2.0 326,-0.1 1,-0.3 -1,-0.1 0.440 95.1 66.7 -55.0 6.7 -17.2 8.8 101.4 71 291 A C T 34 S+ 0 0 1 324,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.436 110.9 25.8-107.4 -3.7 -19.8 8.9 98.7 72 292 A H T <4 S+ 0 0 14 -3,-4.0 2,-0.4 1,-0.3 -2,-0.2 0.505 118.5 54.7-133.0 -18.3 -17.7 7.8 95.8 73 293 A F < - 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