==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 16-JUN-11 3SHM . COMPND 2 MOLECULE: CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS - 6; . AUTHOR Q.XIE,T.F.LERCH,N.L.MEYER,M.S.CHAPMAN . 10320 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 391327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5235 50.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 340 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2344 22.7 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 . 20 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 100 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 . 36 0.3 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 . 1029 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 620 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 0.2 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 20 0 0 0 0 0 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 20 60 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 . 152 60 80 60 20 60 0 0 0 0 0 20 0 0 0 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 120 22 10 0 20 20 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 1 221 A V 0 0 46 0, 0.0 4,-0.1 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 -47.2 -11.8 -50.4 77.7 2 222 A G + 0 0 5 3285,-0.1 3287,-1.8 3218,-0.1 2,-0.4 0.084 360.0 89.3-109.9 21.2 -8.7 -52.4 76.9 3 223 A N S S- 0 0 94 3285,-0.1 3283,-0.1 3286,-0.1 3219,-0.0 -0.975 83.0-108.3-125.3 131.8 -6.5 -49.4 76.0 4 224 A A - 0 0 15 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.223 18.1-153.2 -54.9 139.8 -4.4 -47.3 78.3 5 225 A S S S- 0 0 20 1,-0.3 2,-0.3 181,-0.1 -1,-0.1 0.559 71.0 -14.7 -92.9 -10.8 -5.9 -43.8 78.9 6 226 A G - 0 0 16 3279,-0.1 -1,-0.3 91,-0.1 2,-0.2 -0.970 65.5-107.3-178.8 167.3 -2.5 -42.2 79.6 7 227 A N - 0 0 58 -2,-0.3 2,-1.4 3277,-0.1 3277,-0.2 -0.600 40.1 -93.6-108.5 170.1 1.2 -42.8 80.4 8 228 A W B -A 3283 0A 4 3275,-2.6 3275,-2.3 -2,-0.2 2,-0.9 -0.649 44.6-179.6 -86.9 89.4 3.4 -42.3 83.5 9 229 A H + 0 0 92 -2,-1.4 2,-0.3 3273,-0.2 452,-0.3 -0.787 20.5 139.5 -94.8 102.2 4.8 -38.8 83.0 10 230 A C + 0 0 1 -2,-0.9 2,-0.3 13,-0.1 13,-0.2 -0.880 24.6 97.8-147.0 112.2 7.0 -37.9 86.0 11 231 A D E -B 22 0B 61 11,-1.3 11,-2.7 -2,-0.3 2,-0.4 -0.976 53.5-112.9-175.2 173.0 10.3 -36.1 85.7 12 232 A S E -B 21 0B 14 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.968 18.0-164.3-127.9 145.2 12.1 -32.7 85.9 13 233 A T E -B 20 0B 63 7,-2.0 7,-2.3 -2,-0.4 2,-0.6 -0.984 7.9-152.6-133.1 123.8 13.8 -30.5 83.2 14 234 A W E +B 19 0B 73 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.844 17.4 173.8 -98.3 118.8 16.2 -27.7 83.9 15 235 A L E > -B 18 0B 101 3,-3.2 3,-2.2 -2,-0.6 2,-0.5 -0.769 49.9 -94.3-128.6 87.2 16.2 -25.0 81.2 16 236 A G T 3 S+ 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 453,-0.0 -0.201 115.3 9.6 49.9 -97.6 18.4 -22.0 82.0 17 237 A D T 3 S+ 0 0 84 -2,-0.5 450,-2.2 450,-0.1 2,-0.3 0.181 129.6 56.4 -99.1 16.2 15.9 -19.5 83.5 18 238 A R E < -BC 15 466B 73 -3,-2.2 -3,-3.2 448,-0.2 2,-0.4 -0.999 57.7-164.1-149.0 148.1 13.1 -22.1 83.8 19 239 A V E -BC 14 465B 0 446,-2.6 446,-3.6 -2,-0.3 2,-0.5 -0.999 7.8-154.5-136.1 135.7 12.4 -25.5 85.3 20 240 A I E -BC 13 464B 36 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.5 -0.938 9.2-170.3-116.0 120.5 9.5 -27.9 84.6 21 241 A T E -BC 12 463B 1 442,-2.5 442,-2.7 -2,-0.5 2,-0.5 -0.925 2.1-174.3-112.8 129.4 8.4 -30.4 87.1 22 242 A T E -BC 11 462B 22 -11,-2.7 -11,-1.3 -2,-0.5 2,-0.4 -0.982 5.2-174.7-124.8 123.7 5.9 -33.2 86.3 23 243 A S E - C 0 461B 4 438,-2.5 438,-2.5 -2,-0.5 2,-0.4 -0.913 6.4-171.1-120.6 145.3 4.5 -35.6 89.0 24 244 A T E + C 0 460B 0 -2,-0.4 2,-0.3 436,-0.2 436,-0.2 -0.993 9.7 172.6-137.1 128.7 2.3 -38.7 88.8 25 245 A R E - C 0 459B 7 434,-1.7 434,-1.1 -2,-0.4 2,-0.5 -0.933 32.3-117.9-133.0 155.5 0.7 -40.5 91.6 26 246 A T E -dC 150 458B 4 123,-0.7 125,-1.7 121,-0.4 2,-0.2 -0.836 36.8-167.0 -94.3 126.4 -1.8 -43.4 92.0 27 247 A W E -dC 151 457B 0 430,-3.5 430,-1.8 -2,-0.5 2,-0.4 -0.717 13.4-156.5-113.9 162.3 -5.0 -42.3 93.8 28 248 A A E -dC 152 456B 0 123,-1.2 125,-2.1 -2,-0.2 428,-0.2 -0.998 5.7-167.4-139.4 134.7 -8.0 -44.1 95.4 29 249 A L E - C 0 455B 2 426,-3.2 426,-1.6 -2,-0.4 2,-0.2 -0.940 3.2-168.9-131.5 111.8 -11.5 -42.7 96.0 30 250 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 401,-0.2 -0.498 39.8 -87.5 -88.6 162.2 -14.1 -44.4 98.2 31 251 A T - 0 0 27 422,-0.3 2,-0.4 -2,-0.2 3,-0.2 -0.557 46.8-147.6 -71.0 129.1 -17.8 -43.4 98.4 32 252 A Y >> - 0 0 0 27,-0.7 3,-1.3 -2,-0.3 4,-0.7 -0.817 67.8 -7.3-105.2 139.7 -18.3 -40.7 101.0 33 253 A N T 34 S- 0 0 29 3509,-0.5 -1,-0.2 -2,-0.4 3,-0.1 0.683 114.1 -80.2 56.7 19.1 -21.3 -40.1 103.2 34 254 A N T 34 S- 0 0 86 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.940 89.9 -50.4 51.4 52.3 -23.1 -42.8 101.2 35 255 A H T <4 S+ 0 0 13 -3,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.845 115.0 123.9 58.7 37.5 -23.9 -40.4 98.4 36 256 A L < - 0 0 36 -4,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.963 59.6-136.1-133.9 145.4 -25.3 -37.9 100.9 37 257 A Y - 0 0 3 -2,-0.4 2,-0.4 21,-0.1 21,-0.2 -0.825 30.2-164.3 -92.4 136.8 -24.9 -34.3 102.0 38 258 A K E -H 57 0C 74 19,-1.9 19,-2.7 -2,-0.4 2,-0.5 -0.969 19.9-127.4-129.4 140.3 -24.9 -33.9 105.8 39 259 A Q E -H 56 0C 18 6661,-1.2 2,-0.3 -2,-0.4 17,-0.2 -0.725 33.7-173.0 -82.8 124.8 -25.3 -30.9 108.1 40 260 A I E +H 55 0C 61 15,-1.9 15,-2.4 -2,-0.5 2,-0.3 -0.895 13.7 145.2-122.1 150.9 -22.5 -30.7 110.6 41 261 A S E -H 54 0C 34 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.963 58.2 -98.3-165.4 176.5 -21.8 -28.4 113.6 42 262 A S S > S+ 0 0 4 11,-1.5 3,-0.7 -2,-0.3 5,-0.4 0.089 72.4 137.1 -93.7 21.7 -20.4 -28.2 117.1 43 263 A A T 3 S+ 0 0 48 1,-0.2 -2,-0.2 10,-0.2 3,-0.1 -0.545 71.6 7.0 -72.3 129.2 -23.8 -28.7 118.6 44 264 A S T 3 S+ 0 0 136 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.947 110.0 99.8 65.1 51.4 -23.9 -31.2 121.5 45 265 A T S < S- 0 0 94 -3,-0.7 -1,-0.2 3,-0.0 3,-0.1 -0.648 96.5 -46.3-140.6-160.0 -20.1 -31.6 121.8 46 266 A G S S- 0 0 70 1,-0.2 2,-0.2 -2,-0.2 -3,-0.1 0.529 75.8-161.0 -55.8 -3.4 -17.2 -30.4 123.9 47 267 A A + 0 0 48 -5,-0.4 -1,-0.2 1,-0.1 4,-0.2 -0.363 25.7 164.6 61.7-122.5 -18.8 -26.9 123.3 48 268 A S > - 0 0 54 -2,-0.2 3,-2.6 -3,-0.1 4,-0.4 0.858 43.1-128.1 67.8 106.4 -16.3 -24.1 123.9 49 269 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.2 115,-0.1 0.480 108.1 59.3 -63.9 0.1 -17.5 -20.8 122.4 50 270 A D T 3 S+ 0 0 42 244,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.313 106.4 44.5-109.5 5.1 -14.2 -20.5 120.6 51 271 A N S < S+ 0 0 117 -3,-2.6 -2,-0.2 -4,-0.2 -1,-0.1 0.228 78.6 130.4-131.4 10.9 -14.5 -23.8 118.7 52 272 A H + 0 0 29 -4,-0.4 2,-0.3 110,-0.0 110,-0.1 -0.367 30.1 172.2 -67.8 146.8 -18.1 -23.6 117.4 53 273 A Y - 0 0 97 110,-0.1 -11,-1.5 -2,-0.1 2,-0.3 -0.992 22.1-162.8-154.3 155.5 -18.7 -24.3 113.7 54 274 A F E +H 41 0C 1 106,-0.4 106,-2.7 -2,-0.3 -13,-0.2 -0.930 36.3 111.4-145.9 119.1 -21.4 -24.8 111.2 55 275 A G E -HI 40 159C 0 -15,-2.4 -15,-1.9 -2,-0.3 2,-0.3 -0.710 50.1 -94.7-156.1-153.7 -21.0 -26.4 107.7 56 276 A Y E -HI 39 158C 1 102,-1.9 102,-1.2 -17,-0.2 2,-0.5 -0.973 17.1-131.7-143.8 156.6 -21.8 -29.3 105.5 57 277 A S E -HI 38 157C 19 -19,-2.7 -19,-1.9 -2,-0.3 100,-0.2 -0.950 23.3-158.2-114.2 122.7 -20.3 -32.6 104.4 58 278 A T E - 0 0 0 98,-1.8 98,-0.3 -2,-0.5 -21,-0.1 -0.700 25.6-129.6-101.1 150.6 -20.3 -33.5 100.7 59 279 A P E S+ 0 0 7 0, 0.0 -27,-0.7 0, 0.0 372,-0.3 0.326 80.7 105.6 -74.5 8.3 -19.9 -36.9 99.0 60 280 A W E - 0 0 0 96,-0.3 96,-2.9 370,-0.1 2,-0.2 -0.595 56.2-154.9 -95.0 151.5 -17.2 -35.4 96.9 61 281 A G E -JI 429 155C 0 368,-3.5 368,-2.5 94,-0.3 2,-0.3 -0.672 11.4-148.9-111.0 173.0 -13.4 -35.7 97.0 62 282 A Y E -J 428 0C 12 92,-1.7 2,-0.4 366,-0.3 366,-0.2 -1.000 12.3-126.1-148.5 145.8 -10.8 -33.3 95.8 63 283 A F E +J 427 0C 3 364,-2.2 364,-0.6 -2,-0.3 2,-0.4 -0.758 31.6 178.0 -90.1 133.0 -7.3 -33.3 94.4 64 284 A D + 0 0 3 -2,-0.4 79,-1.0 77,-0.4 362,-0.0 -0.999 24.3 160.7-139.3 136.3 -4.7 -31.2 96.2 65 285 A F + 0 0 8 -2,-0.4 5,-0.2 77,-0.2 6,-0.1 -0.083 29.4 135.5-140.9 34.7 -1.0 -30.6 95.6 66 286 A N + 0 0 8 332,-0.1 2,-0.5 4,-0.1 332,-0.4 0.185 50.8 95.0 -74.6 19.7 -0.4 -27.4 97.6 67 287 A R S > S- 0 0 66 330,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.959 73.4-139.4-116.5 130.2 2.8 -28.9 99.0 68 288 A F G >> S+ 0 0 0 328,-2.1 3,-2.6 -2,-0.5 4,-1.7 0.864 100.1 62.4 -53.6 -43.8 6.2 -28.2 97.4 69 289 A H G 34 S+ 0 0 10 325,-1.9 -1,-0.3 1,-0.3 326,-0.1 0.580 88.0 75.5 -64.2 -6.3 7.5 -31.8 97.8 70 290 A C G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 324,-0.2 -2,-0.2 0.726 115.0 15.7 -72.9 -21.4 4.6 -32.8 95.6 71 291 A H T <4 S+ 0 0 6 -3,-2.6 -2,-0.2 -4,-0.3 2,-0.2 0.761 116.8 61.3-117.3 -60.1 6.6 -31.5 92.6 72 292 A F S < S- 0 0 5 -4,-1.7 -1,-0.2 322,-0.1 -51,-0.0 -0.499 70.7-137.7 -77.3 142.3 10.2 -30.9 93.5 73 293 A S > - 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