==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS LIKE PARTICLE 24-AUG-04 1X9P . COMPND 2 MOLECULE: PENTON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ADENOVIRUS 2; . AUTHOR C.ZUBIETA,G.SCHOEHN,J.CHROBOCZEK,S.CUSACK . 460 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 3 1 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 9 6 4 2 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 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 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 49 A T >> 0 0 81 0, 0.0 3,-2.3 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -80.6 58.7 6.0 62.5 2 50 A G T 34 - 0 0 64 1,-0.3 3,-0.4 2,-0.2 0, 0.0 0.274 360.0 -1.8 17.4 -97.1 57.1 5.2 66.0 3 51 A G T 34 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.1 65,-0.2 0.582 123.0 79.0 -91.6 -8.6 55.3 8.4 67.0 4 52 A R T <4 S+ 0 0 106 -3,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.398 77.9 71.4 -79.3 -1.5 56.4 10.2 63.8 5 53 A N < + 0 0 11 -4,-0.6 61,-1.0 -3,-0.4 -1,-0.1 0.980 53.9 123.7 -79.1 -73.6 53.8 8.7 61.4 6 54 A S - 0 0 7 1,-0.1 60,-1.0 59,-0.1 2,-0.6 0.585 38.4-166.5 7.7 112.1 50.4 10.0 62.1 7 55 A I E -AB 15 65A 9 8,-2.8 8,-1.8 58,-0.2 2,-0.3 -0.983 22.2-166.6-114.5 112.4 48.9 11.6 59.1 8 56 A R E + B 0 64A 137 56,-2.5 56,-3.1 -2,-0.6 2,-0.3 -0.790 22.0 176.9-114.6 154.4 45.9 13.6 60.4 9 57 A Y - 0 0 39 4,-0.3 4,-0.4 -2,-0.3 54,-0.1 -0.838 55.0 -59.7-136.2 169.5 42.8 15.3 59.1 10 58 A S S S- 0 0 48 -2,-0.3 2,-6.3 1,-0.2 51,-0.0 -0.315 102.9 -45.5 -55.6 128.1 39.9 17.0 60.9 11 59 A E S S+ 0 0 194 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.304 108.4 113.5 33.6 -16.5 38.2 14.5 63.1 12 60 A L S S- 0 0 127 -2,-6.3 -1,-0.2 1,-0.1 -2,-0.1 0.555 83.6-106.8 -62.1 -0.7 38.2 11.8 60.4 13 61 A A - 0 0 61 -4,-0.4 -4,-0.3 2,-0.0 2,-0.2 0.004 40.8 -54.0 93.7 160.6 40.7 9.7 62.4 14 62 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.473 42.3-167.9 -74.1 132.1 44.5 8.8 62.4 15 63 A L B -A 7 0A 89 -8,-1.8 -8,-2.8 -2,-0.2 2,-0.5 -0.937 17.0-140.7-118.1 140.8 45.9 7.3 59.3 16 64 A F - 0 0 122 -2,-0.4 -10,-0.0 -10,-0.2 -11,-0.0 -0.929 49.6 -18.7-118.9 133.2 49.4 5.8 59.6 17 65 A D S S- 0 0 72 -2,-0.5 440,-0.1 -16,-0.1 -10,-0.1 0.016 109.8 -2.0 68.7 178.1 52.4 5.9 57.3 18 66 A T + 0 0 65 437,-0.1 2,-0.2 1,-0.1 439,-0.2 0.179 68.5 155.6 -33.0 146.4 52.2 6.6 53.5 19 67 A T - 0 0 41 437,-0.6 2,-0.3 -4,-0.1 -1,-0.1 -0.595 38.3 -89.9-148.8-149.7 48.7 7.3 52.0 20 68 A R - 0 0 115 -2,-0.2 2,-0.4 435,-0.2 435,-0.2 -0.943 23.2-172.4-149.2 128.1 47.5 9.2 48.9 21 69 A V E -D 454 0B 8 433,-2.2 433,-2.3 -2,-0.3 2,-0.5 -0.898 23.8-139.6-111.0 144.1 46.5 12.7 48.1 22 70 A Y E -D 453 0B 103 25,-0.5 2,-0.8 -2,-0.4 431,-0.2 -0.913 13.1-163.2-117.2 129.2 45.1 13.4 44.6 23 71 A L E +D 452 0B 3 429,-2.9 429,-3.1 -2,-0.5 2,-0.4 -0.861 31.3 159.5-102.4 100.4 45.6 16.4 42.3 24 72 A V E -D 451 0B 25 -2,-0.8 22,-0.2 22,-0.2 3,-0.2 -0.979 33.4-168.1-131.7 143.2 42.8 16.3 39.7 25 73 A D S S+ 0 0 6 425,-0.7 6,-0.3 -2,-0.4 -1,-0.1 0.907 83.2 66.1 -87.1 -51.3 41.3 18.9 37.4 26 74 A N + 0 0 92 4,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.393 67.7 131.0 -56.7 2.8 38.2 17.1 36.1 27 75 A K > - 0 0 41 -3,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.502 53.1-146.5 -67.1 115.6 36.7 17.3 39.6 28 76 A S H > S+ 0 0 97 -2,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.817 89.5 50.1 -52.8 -49.8 33.2 18.7 39.1 29 77 A T H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.904 111.6 52.9 -60.9 -38.6 32.6 20.7 42.2 30 78 A D H > S+ 0 0 0 -3,-0.3 4,-3.6 2,-0.2 5,-0.4 0.945 101.6 55.7 -59.7 -59.9 35.9 22.5 41.7 31 79 A V H < S+ 0 0 69 -4,-1.7 -2,-0.1 -6,-0.3 -1,-0.1 0.922 107.0 47.7 -36.9 -73.7 35.6 23.6 38.1 32 80 A A H < S+ 0 0 77 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.829 124.3 32.0 -39.4 -46.5 32.4 25.6 38.5 33 81 A S H < S+ 0 0 64 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.800 128.1 16.2 -92.4 -31.0 33.7 27.4 41.6 34 82 A L S < S+ 0 0 57 -4,-3.6 2,-0.7 -5,-0.1 3,-0.4 0.867 120.0 35.7-110.2 -64.5 37.5 27.9 41.4 35 83 A N S S+ 0 0 16 -5,-0.4 3,-0.1 9,-0.3 -1,-0.1 -0.258 71.0 127.8 -91.7 48.6 39.3 27.5 38.1 36 84 A Y S S+ 0 0 193 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.1 0.970 81.5 37.1 -64.5 -53.5 36.5 29.0 35.9 37 85 A Q S S+ 0 0 191 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.482 110.2 81.3 -78.8 -2.7 38.9 31.5 34.3 38 86 A N - 0 0 53 -3,-0.1 2,-0.3 -4,-0.0 5,-0.1 -0.331 65.8-137.3 -97.6-177.9 41.8 29.1 34.2 39 87 A D B > -H 42 0C 62 3,-0.7 3,-2.9 -2,-0.1 409,-0.1 -0.881 36.8 -86.3-135.6 167.1 42.9 26.2 31.9 40 88 A H T 3 S+ 0 0 67 1,-0.3 3,-0.3 -2,-0.3 408,-0.1 0.625 120.9 59.4 -49.0 -17.5 44.3 22.8 32.2 41 89 A S T 3 S+ 0 0 0 1,-0.3 395,-1.9 406,-0.1 -1,-0.3 0.403 119.9 21.2 -96.1 5.8 47.9 24.0 32.4 42 90 A N E < S+HI 39 435C 12 -3,-2.9 -3,-0.7 393,-0.2 -1,-0.3 -0.439 86.0 136.4-171.7 87.7 47.3 26.1 35.5 43 91 A F E - I 0 434C 4 391,-0.9 391,-2.2 -3,-0.3 2,-0.4 -0.755 44.9-113.3-133.5 177.8 44.4 25.3 37.8 44 92 A L E - I 0 433C 42 -2,-0.2 2,-0.3 389,-0.2 -9,-0.3 -0.877 26.9-171.7-115.2 147.1 43.3 24.9 41.3 45 93 A T E - I 0 432C 0 387,-2.6 387,-1.7 -2,-0.4 2,-0.6 -0.987 25.8-130.0-137.3 148.0 42.2 21.7 42.9 46 94 A T E - I 0 431C 3 -2,-0.3 385,-0.2 -22,-0.2 -22,-0.2 -0.871 19.0-169.6 -94.3 122.9 40.6 20.8 46.2 47 95 A V + 0 0 5 383,-2.4 2,-0.9 -2,-0.6 -25,-0.5 0.584 63.1 95.2 -89.5 -12.8 42.8 18.0 47.5 48 96 A I - 0 0 8 382,-1.0 2,-0.2 1,-0.1 5,-0.1 -0.716 59.2-167.9 -78.7 107.7 40.3 17.3 50.3 49 97 A Q + 0 0 92 -2,-0.9 2,-0.8 9,-0.0 -1,-0.1 -0.122 38.2 133.8 -91.3 39.1 38.2 14.6 48.9 50 98 A N > - 0 0 44 -2,-0.2 3,-1.9 1,-0.1 -2,-0.1 -0.802 50.6-148.3-100.4 111.2 35.5 14.8 51.5 51 99 A N T 3 S+ 0 0 153 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 0.664 86.7 62.4 -40.4 -32.6 32.0 14.8 50.2 52 100 A D T 3 S+ 0 0 113 2,-0.0 2,-0.4 -3,-0.0 -1,-0.3 0.441 86.0 78.6 -86.5 -0.0 30.5 17.0 52.9 53 101 A Y S < S- 0 0 82 -3,-1.9 -3,-0.0 -5,-0.1 3,-0.0 -0.871 76.3-113.2-118.2 151.3 32.3 20.3 52.6 54 102 A S > - 0 0 58 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.136 32.8-119.2 -59.0 164.1 32.1 23.4 50.3 55 103 A P H > S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.955 118.7 47.1 -73.6 -43.9 35.1 23.8 48.1 56 104 A G H >4 S+ 0 0 39 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.981 112.8 47.6 -54.2 -59.9 35.7 27.1 49.7 57 105 A E H >> S+ 0 0 102 1,-0.3 3,-1.9 2,-0.2 4,-0.9 0.886 110.1 53.5 -48.8 -43.5 35.2 25.6 53.2 58 106 A A H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.896 92.4 72.0 -59.4 -40.7 37.5 22.8 52.3 59 107 A S T << S+ 0 0 54 -4,-2.4 372,-0.4 -3,-0.6 371,-0.4 0.590 98.5 53.1 -52.2 -10.1 40.2 25.3 51.3 60 108 A T T <4 S+ 0 0 105 -3,-1.9 -1,-0.2 -4,-0.3 370,-0.2 0.903 93.5 76.5 -89.5 -56.0 40.4 25.9 55.0 61 109 A Q < - 0 0 28 -4,-0.9 369,-1.2 368,-0.1 2,-0.3 0.049 68.8-151.0 -50.9 164.9 40.9 22.4 56.4 62 110 A T E - C 0 429A 50 367,-0.2 2,-0.5 368,-0.1 -52,-0.2 -0.998 19.8-127.6-149.3 150.0 44.3 20.7 56.1 63 111 A I E - C 0 428A 22 365,-2.4 365,-2.3 -2,-0.3 2,-0.7 -0.828 31.8-155.2 -91.3 126.4 46.1 17.4 55.8 64 112 A N E -BC 8 427A 68 -56,-3.1 -56,-2.5 -2,-0.5 363,-0.2 -0.889 7.2-160.4-112.0 106.0 48.7 17.3 58.5 65 113 A L E -B 7 0A 4 361,-0.9 -58,-0.2 -2,-0.7 -59,-0.1 -0.597 53.1 -77.9 -75.0 143.9 51.7 15.1 58.0 66 114 A D > - 0 0 13 -61,-1.0 3,-0.9 -60,-1.0 -1,-0.1 -0.121 37.0-139.1 -50.7 138.7 53.1 14.5 61.4 67 115 A D T 3 S+ 0 0 116 1,-0.2 -1,-0.1 -3,-0.1 -63,-0.1 0.824 92.8 67.1 -65.6 -39.4 55.2 17.3 62.7 68 116 A R T 3 S+ 0 0 133 -65,-0.2 394,-3.0 393,-0.1 2,-0.3 0.545 99.6 55.8 -66.2 -6.5 58.0 15.3 64.2 69 117 A S E < S-E 461 0B 0 -3,-0.9 2,-0.6 392,-0.3 392,-0.2 -0.953 79.0-122.2-132.1 150.3 59.2 14.1 60.9 70 118 A H E -E 460 0B 75 390,-0.7 389,-2.2 -2,-0.3 390,-1.2 -0.766 42.9-154.2 -82.2 125.2 60.4 15.5 57.6 71 119 A W E -EF 458 424B 3 -2,-0.6 353,-1.7 353,-0.5 2,-0.3 -0.613 16.5-170.6-103.1 165.5 58.1 14.0 55.0 72 120 A G E -EF 457 423B 0 385,-1.6 385,-3.1 351,-0.3 2,-0.3 -0.961 6.8-152.8-145.4 158.7 58.4 13.2 51.3 73 121 A G E -EF 456 422B 0 349,-3.2 349,-2.9 -2,-0.3 2,-0.6 -0.962 17.9-122.9-136.2 153.3 56.0 12.1 48.6 74 122 A D E -EF 455 421B 40 381,-0.8 381,-1.3 -2,-0.3 2,-0.7 -0.845 26.2-154.2 -95.9 127.9 56.2 10.2 45.4 75 123 A L E +E 454 0B 3 345,-2.0 344,-1.6 -2,-0.6 2,-0.4 -0.865 18.4 171.8-108.8 105.3 54.9 12.2 42.5 76 124 A K E -EF 453 418B 108 377,-2.2 377,-2.5 -2,-0.7 2,-0.3 -0.848 14.3-171.4-106.4 147.0 53.5 10.2 39.6 77 125 A T E -EF 452 417B 3 340,-1.4 340,-1.1 -2,-0.4 2,-0.5 -0.982 25.2-148.4-144.9 154.8 51.8 12.1 36.9 78 126 A I E -EF 451 416B 62 373,-2.2 373,-0.9 -2,-0.3 2,-0.4 -0.948 22.3-178.4-121.4 108.8 49.7 11.7 33.8 79 127 A L E +EF 450 415B 1 336,-2.2 336,-3.3 -2,-0.5 2,-0.4 -0.916 2.7 177.1-112.0 135.9 50.1 14.4 31.2 80 128 A H E +E 449 0B 53 369,-2.1 369,-2.0 -2,-0.4 368,-1.8 -0.943 4.5 169.3-141.6 119.7 48.2 14.5 27.9 81 129 A T E -E 447 0B 1 332,-0.4 366,-0.2 -2,-0.4 331,-0.1 -0.200 26.8-160.5-110.3-159.4 48.4 17.1 25.2 82 130 A N + 0 0 88 364,-1.0 365,-0.1 -2,-0.1 330,-0.1 0.101 29.9 159.7-176.1 27.3 47.2 17.6 21.7 83 131 A M - 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0 0 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.559 50.0-126.9 -73.7 93.0 63.1 49.2 -16.4 106 154 A T - 0 0 44 -2,-1.2 -1,-0.1 1,-0.1 -3,-0.0 0.093 30.3 -84.6 -45.3 158.0 65.0 52.0 -14.6 107 155 A K S S+ 0 0 198 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.593 119.5 35.5 -34.7 -35.3 65.0 55.6 -15.9 108 156 A D S S- 0 0 137 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.934 122.4 -78.5 -92.0 -66.9 67.9 55.3 -18.3 109 157 A K S S+ 0 0 192 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.162 102.5 96.9-176.7 -7.3 67.9 51.8 -20.0 110 158 A Q S S- 0 0 153 -5,-0.1 2,-0.3 1,-0.1 -2,-0.2 -0.460 71.8-117.5 -85.8 171.9 69.5 49.8 -17.1 111 159 A V - 0 0 92 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.723 10.8-135.0-122.7 167.5 67.2 48.0 -14.9 112 160 A E E +K 104 0E 67 -8,-2.3 -8,-1.5 -2,-0.3 2,-0.5 -0.950 14.7 177.9-125.5 131.5 66.0 47.8 -11.3 113 161 A L E -K 103 0E 72 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.978 10.8-175.3-129.5 112.3 65.5 44.8 -9.1 114 162 A K E -K 102 0E 127 -12,-1.3 -13,-1.7 -2,-0.5 -12,-1.0 -0.923 4.3-168.0-112.5 137.3 64.5 45.6 -5.6 115 163 A Y E -K 100 0E 67 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.794 3.9-174.0-119.4 163.2 64.1 42.9 -3.0 116 164 A E E -K 99 0E 113 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.5 -0.992 27.0-112.4-156.1 156.7 62.5 42.8 0.5 117 165 A W E +K 98 0E 61 -2,-0.3 2,-0.3 -19,-0.3 -19,-0.3 -0.820 37.1 178.3 -93.9 131.8 62.1 40.6 3.6 118 166 A V E -K 97 0E 29 -21,-2.7 -21,-2.1 -2,-0.5 2,-0.6 -0.937 25.9-129.5-134.5 148.5 58.6 39.5 4.2 119 167 A E E -K 96 0E 95 -2,-0.3 2,-0.4 -23,-0.2 -23,-0.2 -0.892 22.8-163.0-102.3 123.1 57.1 37.3 6.9 120 168 A F E -K 95 0E 12 -25,-1.8 -25,-1.0 -2,-0.6 2,-0.4 -0.863 3.8-157.2-106.9 143.3 54.9 34.6 5.7 121 169 A T E -K 94 0E 76 -2,-0.4 -27,-0.2 -27,-0.2 -28,-0.1 -0.911 6.8-136.5-121.5 144.5 52.5 32.8 7.9 122 170 A L - 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