==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-AUG-11 3TG7 . COMPND 2 MOLECULE: HEXON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ADENOVIRUS 5; . AUTHOR Y.ZHU,A.W.ROSZAK,N.W.ISAACS,J.H.MCVEY,S.A.NICKLIN,A.H.BAKER . 889 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 73 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 6 2 1 0 0 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 11 9 4 6 1 0 3 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 12 1 3 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 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 7 A P > 0 0 157 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.5 -26.7 -21.4 -10.9 2 8 A Q H > + 0 0 142 1,-0.2 4,-2.2 2,-0.2 6,-0.2 0.787 360.0 55.5 -69.5 -36.1 -25.9 -22.7 -14.4 3 9 A W H >>S+ 0 0 175 2,-0.2 5,-2.2 1,-0.2 6,-1.3 0.885 110.1 47.6 -61.6 -38.4 -24.7 -19.4 -15.8 4 10 A S H >45S+ 0 0 62 2,-0.2 3,-0.6 1,-0.2 -2,-0.2 0.927 112.2 48.5 -68.8 -38.7 -22.1 -19.2 -13.0 5 11 A Y H 3<5S+ 0 0 181 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 114.8 44.5 -70.8 -34.1 -21.0 -22.7 -13.6 6 12 A M H 3<5S- 0 0 106 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.432 114.5-117.6 -91.0 3.0 -20.7 -22.2 -17.3 7 13 A H T <<5S+ 0 0 53 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.708 79.4 125.4 69.1 33.2 -18.9 -18.8 -16.7 8 14 A I S > - 0 0 69 28,-0.1 4,-2.3 1,-0.1 3,-1.4 -0.306 40.3 -97.4 -77.5 168.8 -13.3 -14.4 -13.5 13 19 A A H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 9,-0.1 0.825 122.7 64.6 -61.9 -34.1 -10.8 -17.3 -13.8 14 20 A S H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 8,-0.1 0.815 112.5 36.1 -61.7 -23.6 -8.4 -15.6 -11.4 15 21 A E H <4 S+ 0 0 118 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.788 121.0 42.8 -94.6 -39.7 -11.1 -15.9 -8.7 16 22 A Y H < S+ 0 0 53 -4,-2.3 -3,-0.2 2,-0.1 -2,-0.2 0.764 98.7 77.1 -86.7 -20.2 -12.6 -19.3 -9.5 17 23 A L S < S- 0 0 37 -4,-2.1 -5,-0.0 -5,-0.2 21,-0.0 -0.425 101.2 -83.7 -74.4 163.7 -9.5 -21.4 -10.4 18 24 A S >> - 0 0 72 1,-0.1 4,-2.4 -2,-0.1 3,-0.5 -0.400 39.2-119.6 -67.5 145.3 -7.4 -22.7 -7.5 19 25 A P H 3> S+ 0 0 112 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.872 112.4 54.2 -60.0 -35.9 -4.9 -20.0 -6.3 20 26 A G H 3> S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 107.2 48.8 -59.7 -40.1 -2.0 -22.2 -7.1 21 27 A L H <> S+ 0 0 53 -3,-0.5 4,-3.6 2,-0.2 5,-0.3 0.965 111.8 51.7 -66.3 -42.7 -3.1 -22.7 -10.7 22 28 A V H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.932 112.6 43.8 -57.9 -53.7 -3.5 -18.9 -11.0 23 29 A Q H X S+ 0 0 154 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.941 115.4 49.0 -54.8 -47.0 -0.0 -18.2 -9.7 24 30 A F H X S+ 0 0 120 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.927 112.1 47.8 -61.2 -46.8 1.5 -20.9 -11.9 25 31 A A H >X S+ 0 0 17 -4,-3.6 4,-0.7 1,-0.2 3,-0.7 0.931 111.9 49.3 -62.8 -43.0 -0.3 -19.7 -15.0 26 32 A R H >< S+ 0 0 172 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.916 112.4 48.6 -64.7 -40.6 0.7 -16.0 -14.4 27 33 A A H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.725 117.4 40.1 -66.4 -22.3 4.4 -17.0 -13.9 28 34 A T H XX S+ 0 0 22 -4,-1.2 4,-2.7 -3,-0.7 3,-2.4 0.301 76.0 111.9-117.2 5.3 4.5 -19.2 -17.0 29 35 A E T << S+ 0 0 65 -4,-0.7 -1,-0.1 -3,-0.6 4,-0.1 0.756 79.6 52.2 -55.3 -33.4 2.6 -17.2 -19.6 30 36 A T T 34 S+ 0 0 129 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.512 116.4 38.8 -83.5 -7.9 5.7 -16.4 -21.7 31 37 A Y T <4 S- 0 0 185 -3,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.781 138.4 -6.5-102.0 -53.1 6.7 -20.1 -21.9 32 38 A F S < S- 0 0 150 -4,-2.7 2,-0.3 -7,-0.1 -1,-0.2 -0.882 77.4-138.1-152.3 109.0 3.3 -21.9 -22.4 33 39 A S + 0 0 48 -2,-0.3 -4,-0.1 1,-0.1 3,-0.1 -0.547 24.8 173.7 -84.1 135.6 0.2 -19.9 -22.1 34 40 A L > + 0 0 25 -2,-0.3 3,-1.8 -9,-0.2 -1,-0.1 0.538 54.1 96.8-112.6 -2.2 -2.9 -21.1 -20.3 35 41 A N G > S+ 0 0 99 1,-0.3 3,-1.3 -10,-0.1 -1,-0.1 0.817 76.0 61.1 -64.3 -28.6 -5.1 -18.1 -20.3 36 42 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.517 93.3 67.6 -78.0 5.8 -7.2 -19.1 -23.4 37 43 A K G < S+ 0 0 122 -3,-1.8 2,-0.4 1,-0.1 -1,-0.3 0.449 92.8 60.1-102.6 5.8 -8.5 -22.3 -21.7 38 44 A F S < S- 0 0 64 -3,-1.3 -25,-0.2 -4,-0.1 -1,-0.1 -0.981 79.4-131.7-139.4 116.1 -10.6 -20.6 -19.0 39 45 A R - 0 0 177 -2,-0.4 -3,-0.0 -27,-0.1 -2,-0.0 -0.399 12.7-156.7 -68.6 141.9 -13.6 -18.4 -19.8 40 46 A N - 0 0 71 -28,-0.1 2,-0.2 -2,-0.1 -28,-0.1 -0.962 19.7-127.8-115.0 133.9 -14.1 -15.0 -18.1 41 47 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 -0.518 15.4-161.8 -74.1 145.2 -17.6 -13.6 -18.0 42 48 A T - 0 0 139 -34,-0.4 2,-0.4 -2,-0.2 -2,-0.0 -0.989 15.2-176.3-125.8 130.4 -18.4 -10.0 -19.2 43 49 A V - 0 0 103 -2,-0.4 3,-0.1 -33,-0.1 -34,-0.0 -0.980 21.0-129.6-133.0 126.3 -21.7 -8.8 -17.9 44 50 A A - 0 0 76 -2,-0.4 2,-0.0 1,-0.1 -2,-0.0 -0.397 32.6-104.0 -70.7 146.0 -23.4 -5.5 -18.6 45 51 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 27.6-159.4 -57.5 151.2 -24.7 -3.2 -15.8 46 52 A T + 0 0 138 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.500 63.0 46.3-115.7 -2.2 -28.5 -3.5 -15.4 47 53 A H S S+ 0 0 129 1,-0.1 -1,-0.1 523,-0.0 4,-0.1 -0.977 102.1 15.4-138.7 149.7 -29.4 -0.2 -13.5 48 54 A D S S+ 0 0 76 -2,-0.3 3,-0.1 2,-0.3 -1,-0.1 0.496 100.9 81.7 73.4 4.7 -28.6 3.5 -13.6 49 55 A V S S+ 0 0 61 1,-0.3 521,-1.9 520,-0.1 2,-0.2 0.837 95.9 13.7 -96.5 -59.0 -27.1 3.6 -17.1 50 56 A T B S-A 569 0A 82 519,-0.3 -1,-0.3 523,-0.0 2,-0.3 -0.719 73.2-116.8-115.1 166.6 -30.1 3.7 -19.6 51 57 A T - 0 0 25 517,-2.2 519,-0.1 -2,-0.2 4,-0.1 -0.719 4.0-157.8 -99.4 146.0 -33.8 4.4 -19.3 52 58 A D + 0 0 162 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.220 65.9 106.9 -99.1 17.5 -36.6 2.0 -20.1 53 59 A R S S- 0 0 184 1,-0.1 2,-0.2 515,-0.1 -2,-0.1 -0.451 86.5 -84.9 -90.5 165.2 -39.0 5.0 -20.5 54 60 A S + 0 0 126 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.501 68.0 140.4 -74.9 135.1 -40.3 6.2 -23.9 55 61 A Q - 0 0 35 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.842 47.8-114.8-176.7 128.1 -37.8 8.6 -25.5 56 62 A R - 0 0 192 -2,-0.3 3,-0.1 1,-0.1 510,-0.1 -0.442 9.6-150.0 -73.3 140.3 -36.4 9.3 -29.0 57 63 A L S S+ 0 0 97 1,-0.2 509,-3.6 -2,-0.1 2,-0.4 0.893 86.1 29.5 -67.1 -43.8 -32.7 8.7 -29.8 58 64 A T E -B 565 0B 55 507,-0.3 2,-0.4 505,-0.0 507,-0.2 -0.965 68.5-160.8-125.9 134.3 -32.6 11.5 -32.4 59 65 A L E -B 564 0B 61 505,-3.1 505,-2.3 -2,-0.4 2,-0.4 -0.855 6.7-152.3-108.3 144.3 -34.6 14.7 -32.5 60 66 A R E -B 563 0B 139 -2,-0.4 2,-0.4 503,-0.2 503,-0.2 -0.974 9.5-160.8-111.5 135.0 -35.1 16.8 -35.7 61 67 A F E -B 562 0B 30 501,-3.1 501,-2.7 -2,-0.4 18,-0.1 -0.941 6.2-148.7-120.9 135.9 -35.7 20.6 -35.4 62 68 A I - 0 0 89 -2,-0.4 16,-0.4 499,-0.2 499,-0.1 -0.690 39.3 -90.0 -95.7 146.7 -37.2 22.8 -38.2 63 69 A P - 0 0 38 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.377 23.4-158.9 -59.7 141.0 -36.0 26.4 -38.4 64 70 A V S S+ 0 0 88 12,-2.7 2,-0.3 1,-0.3 13,-0.2 0.560 84.6 8.8 -84.3 -18.7 -38.0 29.0 -36.4 65 71 A D E -E 76 0C 38 11,-1.2 11,-2.5 2,-0.0 2,-0.4 -0.966 60.7-172.0-160.2 143.3 -36.6 31.6 -38.8 66 72 A R E -E 75 0C 70 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 7.3-171.2-134.8 136.3 -34.6 31.8 -42.0 67 73 A E E -E 74 0C 97 7,-2.1 7,-2.8 -2,-0.4 2,-0.3 -0.984 7.4-158.2-126.5 139.4 -33.2 35.0 -43.6 68 74 A D E +E 73 0C 86 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.908 13.4 176.2-117.7 141.2 -31.6 35.2 -47.1 69 75 A T - 0 0 62 3,-2.8 5,-0.0 -2,-0.3 -2,-0.0 -0.707 51.5 -99.1-122.0 179.0 -29.2 37.8 -48.6 70 76 A A S S+ 0 0 102 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.834 123.6 31.7 -75.1 -21.0 -27.8 37.3 -52.1 71 77 A Y S S+ 0 0 89 1,-0.1 463,-2.0 463,-0.1 464,-0.6 0.425 125.1 14.7-110.5 -6.3 -24.6 35.9 -50.6 72 78 A S E - F 0 533C 5 461,-0.2 -3,-2.8 462,-0.1 2,-0.3 -0.972 53.7-146.0-151.2 168.0 -25.6 34.1 -47.4 73 79 A Y E -EF 68 532C 2 459,-2.3 459,-2.9 -2,-0.3 2,-0.4 -0.991 9.2-148.1-137.1 167.3 -28.5 32.7 -45.4 74 80 A K E -EF 67 531C 54 -7,-2.8 -7,-2.1 -2,-0.3 2,-0.4 -0.964 9.4-168.1-129.9 138.7 -29.2 32.4 -41.7 75 81 A A E -EF 66 530C 0 455,-2.3 455,-1.9 -2,-0.4 2,-0.4 -0.997 5.0-163.7-134.9 125.9 -31.1 29.6 -40.1 76 82 A R E -EF 65 529C 80 -11,-2.5 -12,-2.7 -2,-0.4 -11,-1.2 -0.942 8.5-177.5-114.8 138.5 -32.3 29.7 -36.4 77 83 A F E - F 0 528C 0 451,-2.7 451,-2.5 -2,-0.4 2,-0.8 -0.898 29.2-130.9-127.0 159.4 -33.5 26.8 -34.4 78 84 A T E - F 0 527C 43 -16,-0.4 2,-0.7 -2,-0.3 449,-0.2 -0.887 28.5-158.8-111.3 102.6 -34.8 26.3 -31.0 79 85 A L E - F 0 526C 0 447,-2.4 447,-2.4 -2,-0.8 2,-0.6 -0.732 8.2-162.1 -84.0 116.9 -32.7 23.5 -29.6 80 86 A A E - F 0 525C 32 -2,-0.7 2,-0.7 445,-0.2 445,-0.2 -0.861 16.8-170.3-110.7 127.4 -34.4 21.8 -26.8 81 87 A V E - F 0 524C 0 443,-3.6 443,-2.6 -2,-0.6 800,-0.1 -0.946 27.3-145.0-109.6 104.2 -32.7 19.6 -24.2 82 88 A G > - 0 0 28 -2,-0.7 3,-1.2 441,-0.2 443,-0.0 -0.082 30.8 -79.3 -63.4 164.7 -35.7 18.0 -22.3 83 89 A D T 3 S+ 0 0 87 1,-0.2 -1,-0.2 440,-0.1 3,-0.1 -0.312 118.0 26.3 -60.0 157.0 -35.4 17.3 -18.6 84 90 A N T 3 S+ 0 0 54 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.730 107.6 99.5 57.7 21.9 -33.6 14.2 -17.5 85 91 A R < - 0 0 62 -3,-1.2 2,-0.3 489,-0.1 -1,-0.2 -0.910 51.6-165.6-121.4 156.0 -31.5 14.4 -20.9 86 92 A V - 0 0 8 481,-0.3 2,-0.4 -2,-0.3 481,-0.3 -0.957 13.2-147.5-131.8 159.3 -28.0 15.7 -21.7 87 93 A L E -I 521 0D 1 434,-2.0 434,-3.3 -2,-0.3 2,-0.7 -0.993 6.7-148.4-131.9 122.8 -26.8 16.4 -25.2 88 94 A D E > -I 520 0D 77 477,-0.5 3,-2.3 -2,-0.4 477,-0.3 -0.875 15.6-146.7 -81.9 116.2 -23.3 16.0 -26.5 89 95 A M G > S+ 0 0 2 430,-2.9 3,-1.9 -2,-0.7 422,-0.2 0.697 93.6 73.8 -59.5 -16.1 -23.0 18.8 -29.2 90 96 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 429,-0.2 428,-0.1 0.742 90.3 60.6 -70.5 -16.8 -20.7 16.5 -31.2 91 97 A S G < S+ 0 0 31 -3,-2.3 -1,-0.3 474,-0.2 2,-0.2 0.488 91.9 91.9 -81.6 -2.5 -23.9 14.5 -32.0 92 98 A T < + 0 0 4 -3,-1.9 419,-0.5 472,-0.2 2,-0.3 -0.606 47.0 156.6 -97.4 150.6 -25.5 17.6 -33.7 93 99 A Y E -CD 510 563B 41 470,-1.7 470,-2.5 -2,-0.2 2,-0.5 -0.982 41.3-107.4-159.5 158.2 -25.4 18.6 -37.3 94 100 A F E -CD 509 562B 1 415,-2.2 415,-2.7 -2,-0.3 2,-0.7 -0.839 26.4-153.8 -84.5 122.8 -27.1 20.6 -40.0 95 101 A D E -CD 508 561B 15 466,-3.0 466,-2.4 -2,-0.5 2,-0.4 -0.910 21.1-173.2-101.2 108.6 -28.9 18.5 -42.6 96 102 A I E -CD 507 560B 1 411,-2.9 411,-2.4 -2,-0.7 2,-0.4 -0.932 12.4-175.2-112.5 128.6 -29.0 20.5 -45.8 97 103 A R E +CD 506 559B 145 462,-2.4 462,-1.9 -2,-0.4 461,-1.7 -0.967 24.1 121.5-119.1 150.3 -30.8 19.8 -49.1 98 104 A G E -CD 505 557B 4 407,-2.0 407,-2.4 -2,-0.4 2,-0.4 -0.934 52.8 -81.2-174.2-167.6 -30.7 21.7 -52.2 99 105 A V E -CD 504 556B 61 457,-2.3 457,-2.7 -2,-0.3 2,-0.4 -0.990 32.6-168.5-126.4 130.9 -29.9 21.8 -55.9 100 106 A L E -CD 503 555B 1 403,-3.0 403,-2.9 -2,-0.4 2,-0.5 -0.925 10.5-167.4-117.0 140.8 -26.5 22.3 -57.4 101 107 A D E -CD 502 554B 31 453,-3.3 453,-2.5 -2,-0.4 401,-0.2 -0.981 6.0-164.0-123.2 114.1 -25.6 23.0 -61.0 102 108 A R - 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