==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 07-MAY-02 1LP3 . COMPND 2 MOLECULE: AAV-2 CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ADENO-ASSOCIATED VIRUS - 2; . AUTHOR Q.XIE,W.BU,S.BHATIA,J.HARE,T.SOMASUNDARAM,A.AZZI,M.S.CHAPMAN . 519 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 21.6 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 . 7 1.3 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 . 1 0.2 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 . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.7 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 1 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 . 1 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 . 4 5 6 3 1 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 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 80 A G 0 0 78 0, 0.0 191,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.4 83.7 -8.6 2.5 2 81 A A + 0 0 72 189,-0.2 2,-0.2 185,-0.0 189,-0.2 -0.983 360.0 131.2-161.0 163.6 85.2 -7.2 -0.7 3 82 A D - 0 0 130 187,-0.4 6,-0.0 -2,-0.3 2,-0.0 -0.884 45.2 -37.9-179.4-143.7 86.1 -3.9 -2.7 4 83 A G - 0 0 25 -2,-0.2 3,-0.4 1,-0.1 5,-0.1 -0.110 45.9-103.6-100.3-168.4 88.8 -2.1 -4.6 5 84 A V S S+ 0 0 100 1,-0.2 2,-0.8 185,-0.1 185,-0.2 0.880 115.7 46.7 -83.3 -46.8 92.6 -1.4 -4.6 6 85 A G S S+ 0 0 72 2,-0.1 2,-0.4 184,-0.0 -1,-0.2 -0.308 96.6 100.3 -89.1 51.5 92.6 2.2 -3.2 7 86 A N S S- 0 0 80 -2,-0.8 2,-0.6 -3,-0.4 94,-0.1 -0.940 76.2-125.7-140.6 116.9 90.1 1.2 -0.4 8 87 A S - 0 0 73 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.1 -0.434 17.6-150.5 -60.2 108.7 91.0 0.4 3.2 9 88 A S S S- 0 0 22 -2,-0.6 2,-0.3 182,-0.1 -1,-0.2 0.574 76.8 -1.6 -58.4 -5.6 89.4 -3.1 3.7 10 89 A G S S- 0 0 8 90,-0.1 2,-0.1 182,-0.0 -1,-0.1 -0.958 72.6-116.4-175.6 154.1 89.0 -2.2 7.4 11 90 A N - 0 0 113 -2,-0.3 2,-0.8 1,-0.0 -2,-0.0 -0.432 40.5 -93.2 -94.1 179.6 89.6 0.5 9.9 12 91 A W - 0 0 118 -2,-0.1 2,-0.7 16,-0.1 16,-0.1 -0.777 41.3-177.1 -97.2 103.0 91.8 0.4 13.0 13 92 A H + 0 0 88 -2,-0.8 451,-0.2 14,-0.1 14,-0.1 -0.827 21.4 143.8-102.9 117.7 89.9 -0.6 16.1 14 93 A C + 0 0 49 -2,-0.7 13,-0.1 13,-0.2 -1,-0.1 -0.297 28.2 121.3-150.9 59.3 91.9 -0.6 19.2 15 94 A D - 0 0 105 2,-0.0 11,-0.7 12,-0.0 2,-0.2 -0.171 42.8-149.2-103.8-160.2 89.8 0.6 22.1 16 95 A S E -A 25 0A 24 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.673 16.2-175.1-175.1 115.7 88.7 -0.9 25.4 17 96 A T E -A 24 0A 55 7,-2.6 7,-2.7 -2,-0.2 2,-0.4 -0.959 14.4-148.4-130.1 143.8 85.4 -0.2 27.1 18 97 A W E -A 23 0A 75 -2,-0.4 5,-0.3 5,-0.3 -2,-0.0 -0.853 10.6-178.0-106.7 138.3 83.9 -1.1 30.4 19 98 A M - 0 0 125 3,-1.9 2,-0.4 -2,-0.4 4,-0.2 0.345 51.6-105.5-119.2 9.4 80.2 -1.6 30.9 20 99 A G S S+ 0 0 40 2,-0.6 3,-0.1 1,-0.2 -2,-0.0 -0.327 116.0 30.7 96.9 -48.5 80.0 -2.4 34.5 21 100 A D S S+ 0 0 67 -2,-0.4 449,-1.4 448,-0.0 2,-0.2 0.722 128.8 25.8-110.2 -31.6 79.3 -6.0 33.9 22 101 A R - 0 0 51 447,-0.2 -3,-1.9 68,-0.0 -2,-0.6 -0.410 63.0-164.2-114.1-167.3 81.2 -6.7 30.6 23 102 A V E -A 18 0A 0 445,-0.5 445,-2.2 -5,-0.3 2,-0.6 -0.708 11.2-144.7 179.5 126.5 84.1 -4.9 29.1 24 103 A I E -AB 17 467A 21 -7,-2.7 -7,-2.6 -2,-0.2 2,-0.7 -0.917 6.0-163.0-113.5 126.1 85.3 -5.2 25.6 25 104 A T E -AB 16 466A 0 441,-2.3 441,-1.8 -2,-0.6 2,-0.3 -0.897 11.6-177.4-108.5 106.1 88.8 -5.2 24.6 26 105 A T + 0 0 14 -11,-0.7 2,-0.3 -2,-0.7 439,-0.2 -0.637 8.3 173.3 -92.3 154.2 89.3 -4.5 21.0 27 106 A S - 0 0 3 437,-0.4 437,-3.5 -2,-0.3 2,-0.3 -0.865 14.9-171.7-169.6 132.8 92.7 -4.5 19.6 28 107 A T E +C 463 0A 0 -2,-0.3 2,-0.3 435,-0.3 435,-0.3 -0.951 8.0 176.7-125.5 146.2 94.5 -4.3 16.1 29 108 A R E -C 462 0A 8 433,-2.9 433,-2.5 -2,-0.3 2,-0.3 -0.993 29.9-114.9-147.6 151.7 98.1 -4.8 15.1 30 109 A T E -C 461 0A 37 120,-0.4 124,-1.8 -2,-0.3 2,-0.3 -0.665 38.9-177.4 -86.7 141.6 100.1 -4.7 11.9 31 110 A W E -Cd 460 154A 0 429,-2.4 429,-1.5 -2,-0.3 2,-0.3 -0.843 17.8-147.4-134.9 172.7 101.8 -8.1 10.8 32 111 A A E -Cd 459 155A 32 122,-1.8 124,-2.3 -2,-0.3 427,-0.3 -0.998 5.9-162.0-142.2 143.3 104.0 -9.6 8.1 33 112 A L E -C 458 0A 1 425,-2.7 425,-3.1 -2,-0.3 122,-0.0 -0.923 4.3-168.4-138.5 114.9 104.2 -13.1 6.6 34 113 A P - 0 0 35 0, 0.0 2,-0.7 0, 0.0 400,-0.2 0.067 39.5 -92.1 -77.3-175.0 107.1 -14.7 4.6 35 114 A T > - 0 0 42 398,-0.1 3,-0.7 422,-0.0 28,-0.1 -0.894 46.3-149.0-113.0 109.4 106.9 -17.9 2.6 36 115 A Y G > + 0 0 38 -2,-0.7 3,-3.3 26,-0.7 4,-0.2 -0.355 69.7 4.9 -73.1 150.8 107.9 -20.8 4.8 37 116 A N G > S- 0 0 33 1,-0.3 3,-3.5 2,-0.2 -1,-0.2 0.856 119.0 -80.7 46.4 35.0 109.7 -24.0 3.8 38 117 A N G < S- 0 0 93 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.809 91.1 -50.5 37.6 38.5 109.9 -22.4 0.4 39 118 A H G < S+ 0 0 25 -3,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.386 114.9 107.8 87.9 -1.6 106.3 -23.5 -0.1 40 119 A L < - 0 0 58 -3,-3.5 2,-0.3 -4,-0.2 -1,-0.2 -0.817 68.2-120.2-115.8 156.5 106.6 -27.1 0.8 41 120 A Y - 0 0 49 -2,-0.3 2,-0.4 20,-0.1 20,-0.2 -0.639 35.2-160.9 -83.0 135.6 105.6 -29.4 3.6 42 121 A K E -I 60 0B 94 18,-2.1 18,-2.2 -2,-0.3 2,-0.3 -0.969 16.5-127.6-126.4 138.6 108.7 -31.0 5.1 43 122 A Q E -I 59 0B 123 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.648 33.4-169.3 -80.1 144.4 108.9 -34.1 7.2 44 123 A I E +I 58 0B 49 14,-3.4 14,-3.2 -2,-0.3 2,-0.3 -1.000 10.4 169.7-141.7 141.0 110.9 -33.5 10.5 45 124 A S E -I 57 0B 39 -2,-0.3 12,-0.2 12,-0.2 123,-0.1 -0.967 38.3 -83.3-148.2 161.8 112.3 -35.6 13.4 46 125 A S - 0 0 5 10,-2.4 2,-1.4 -2,-0.3 -1,-0.1 0.043 63.3 -85.6 -54.1 169.8 114.5 -35.7 16.4 47 126 A Q > - 0 0 141 7,-0.3 3,-1.5 1,-0.1 -1,-0.2 -0.646 43.2-119.1 -88.4 88.6 118.1 -36.0 15.9 48 127 A S T 3 S+ 0 0 92 -2,-1.4 120,-0.3 1,-0.3 -1,-0.1 0.240 109.7 37.0 19.9 -73.8 118.8 -39.8 15.6 49 128 A G T 3 S+ 0 0 65 119,-0.1 -1,-0.3 -3,-0.0 6,-0.1 0.961 86.0 122.6 -61.3 -59.8 121.2 -39.9 18.6 50 129 A A S < S- 0 0 39 -3,-1.5 4,-0.1 4,-0.1 118,-0.1 0.461 79.8 -76.6 -6.5 133.2 119.4 -37.4 20.9 51 130 A S > - 0 0 70 1,-0.1 3,-1.7 2,-0.1 -4,-0.1 0.043 43.0-118.7 -37.7 145.8 118.3 -38.7 24.4 52 131 A N G > S+ 0 0 70 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.923 112.7 65.9 -59.8 -42.6 115.2 -40.9 24.1 53 132 A D G 3 S+ 0 0 48 1,-0.3 -1,-0.3 243,-0.1 -2,-0.1 0.591 106.4 49.1 -54.4 -9.6 113.2 -38.5 26.4 54 133 A N G < S+ 0 0 115 -3,-1.7 -1,-0.3 -4,-0.1 -7,-0.3 0.110 81.0 118.4-120.3 21.1 113.7 -36.1 23.4 55 134 A H < + 0 0 25 -3,-2.3 2,-0.3 -9,-0.1 113,-0.1 -0.429 32.3 158.5 -82.8 165.6 112.7 -37.9 20.2 56 135 A Y - 0 0 95 -2,-0.1 -10,-2.4 110,-0.0 2,-0.3 -0.977 26.6-152.2-175.3 165.1 110.0 -37.0 18.0 57 136 A F E +I 45 0B 6 106,-0.5 106,-2.3 -2,-0.3 2,-0.3 -0.952 37.9 104.5-152.0 133.0 108.4 -37.1 14.6 58 137 A G E -IJ 44 162B 0 -14,-3.2 -14,-3.4 -2,-0.3 2,-0.3 -0.955 50.7 -84.9-179.8-167.2 106.2 -34.7 12.7 59 138 A Y E -IJ 43 161B 41 102,-0.9 102,-2.2 -2,-0.3 2,-0.4 -0.846 13.8-145.4-128.2 162.5 105.9 -32.1 10.0 60 139 A S E -IJ 42 160B 16 -18,-2.2 -18,-2.1 -2,-0.3 100,-0.3 -0.952 26.0-147.6-119.9 145.5 106.4 -28.4 9.3 61 140 A T E - 0 0 0 98,-2.8 98,-0.1 -2,-0.4 -20,-0.1 -0.823 25.9-125.3-120.2 157.6 104.1 -26.6 7.0 62 141 A P E S+ 0 0 5 0, 0.0 -26,-0.7 0, 0.0 372,-0.3 0.567 87.9 100.1 -69.3 -9.2 104.3 -23.7 4.5 63 142 A W E - 0 0 0 96,-0.2 96,-3.3 370,-0.1 2,-0.4 -0.509 59.3-158.4 -79.7 140.1 101.4 -22.3 6.5 64 143 A G E -KJ 432 158B 0 368,-2.5 368,-3.2 94,-0.3 94,-0.3 -0.911 12.1-152.7-117.1 149.1 101.6 -19.7 9.2 65 144 A Y E -K 431 0B 14 92,-1.3 2,-0.3 -2,-0.4 366,-0.2 -0.721 8.1-123.0-119.1 172.7 99.1 -19.2 11.9 66 145 A F E +K 430 0B 8 364,-2.0 364,-0.6 -2,-0.2 2,-0.3 -0.875 27.8 175.8-111.9 145.0 97.7 -16.4 14.2 67 146 A D + 0 0 11 77,-0.4 79,-0.4 -2,-0.3 77,-0.1 -0.955 27.8 166.3-158.0 139.5 97.5 -16.3 17.9 68 147 A F + 0 0 9 -2,-0.3 2,-1.3 77,-0.3 5,-0.2 -0.215 32.0 138.7-138.0 42.7 96.5 -14.1 20.8 69 148 A N + 0 0 10 332,-0.1 332,-0.5 3,-0.1 2,-0.4 -0.226 50.6 93.2 -86.8 47.7 96.4 -16.6 23.7 70 149 A R B > S-N 400 0C 64 -2,-1.3 3,-3.0 330,-0.2 4,-0.3 -0.966 75.6-135.6-140.1 121.3 98.1 -14.1 25.9 71 150 A F G >> S+ 0 0 0 328,-1.7 4,-2.3 -2,-0.4 3,-1.6 0.771 101.7 62.4 -47.3 -34.1 96.2 -11.7 28.1 72 151 A H G 34 S+ 0 0 9 325,-0.8 -1,-0.3 1,-0.3 326,-0.1 0.436 83.1 76.2 -76.5 1.6 98.3 -8.8 27.2 73 152 A C G <4 S+ 0 0 0 -3,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.576 116.5 21.0 -81.0 -9.6 97.2 -9.0 23.6 74 153 A H T <4 S+ 0 0 12 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.613 115.6 66.4-125.2 -35.3 94.0 -7.4 24.9 75 154 A F < - 0 0 5 -4,-2.3 -1,-0.1 322,-0.2 3,-0.1 -0.760 62.0-149.7 -99.8 145.0 94.7 -5.7 28.2 76 155 A S >> - 0 0 46 -2,-0.4 4,-1.5 1,-0.2 3,-0.6 -0.937 35.5-105.7-109.5 131.3 96.8 -2.7 28.7 77 156 A P H 3> S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.684 122.5 45.5 -14.5 -79.0 98.5 -2.4 32.0 78 157 A R H 3> S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.886 115.7 46.2 -37.3 -64.7 96.1 0.2 33.1 79 158 A D H <> S+ 0 0 14 -3,-0.6 4,-1.9 1,-0.2 3,-0.5 0.957 110.0 51.8 -45.1 -62.7 93.1 -1.7 32.0 80 159 A W H X S+ 0 0 2 -4,-1.5 4,-2.9 1,-0.3 5,-0.3 0.904 108.3 55.5 -39.1 -49.0 94.2 -5.0 33.4 81 160 A Q H X S+ 0 0 43 -4,-2.6 4,-1.5 -5,-0.4 -1,-0.3 0.907 103.5 53.2 -53.6 -48.2 94.7 -3.0 36.7 82 161 A R H >X S+ 0 0 101 -4,-2.2 4,-1.1 -3,-0.5 3,-0.8 0.966 115.5 40.6 -51.2 -56.9 91.1 -1.8 36.6 83 162 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 4,-0.4 0.961 114.6 49.1 -50.4 -70.6 89.9 -5.4 36.3 84 163 A I H 3< S+ 0 0 1 -4,-2.9 431,-0.5 1,-0.3 -1,-0.3 0.586 110.3 53.7 -48.5 -21.9 92.2 -7.0 38.7 85 164 A N H << S+ 0 0 17 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.710 117.4 26.7 -94.6 -20.5 91.5 -4.4 41.4 86 165 A N S << S+ 0 0 84 -3,-1.5 387,-0.9 -4,-1.1 2,-0.4 0.050 98.6 90.2-133.2 33.1 87.7 -4.6 41.7 87 166 A N E -E 472 0A 8 -4,-0.4 385,-0.2 120,-0.2 428,-0.2 -0.893 52.5-157.3-139.9 118.2 86.5 -8.0 40.6 88 167 A W E S- 0 0 10 383,-0.6 119,-1.4 -2,-0.4 2,-0.3 0.705 83.6 -39.5 -54.1 -17.8 85.9 -11.2 42.4 89 168 A G E -EF 471 206A 0 382,-1.4 382,-2.9 117,-0.2 2,-0.3 -0.972 55.6-157.3 171.1 174.8 86.4 -12.9 39.0 90 169 A F E -EF 470 205A 0 115,-0.7 115,-2.7 -2,-0.3 380,-0.2 -0.982 2.1-167.1-167.8 165.5 85.8 -12.8 35.2 91 170 A R E -E 469 0A 39 378,-1.6 378,-3.8 -2,-0.3 2,-0.2 -0.988 30.0 -98.0-158.8 159.6 85.6 -14.9 32.1 92 171 A P E +E 468 0A 5 0, 0.0 376,-0.3 0, 0.0 110,-0.2 -0.523 31.5 176.2 -80.3 149.0 85.5 -14.5 28.3 93 172 A K E - 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