==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 01-MAR-10 3LZF . COMPND 2 MOLECULE: HEMAGGLUTININ, HA1 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR D.C.EKIERT,I.A.WILSON . 924 5 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 266 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 1 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 6 4 2 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 PARALLEL BRIDGES PER LADDER . 14 9 10 4 5 10 2 2 0 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 . 3 6 5 3 2 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 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 11 A D 0 0 57 0, 0.0 463,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.6 61.8 -39.0 -33.1 2 12 A T E -AB 351 463A 34 349,-0.8 349,-1.9 461,-0.2 2,-0.3 -0.957 360.0-169.0-145.0 157.1 63.2 -39.4 -29.5 3 13 A I E -AB 350 462A 0 459,-1.5 459,-3.3 -2,-0.3 2,-0.3 -0.988 18.4-168.4-135.5 143.9 63.3 -41.2 -26.2 4 14 A a E -AB 349 461A 13 345,-3.2 345,-2.6 -2,-0.3 2,-0.5 -0.960 17.8-136.7-133.8 152.8 65.1 -40.0 -23.0 5 15 A I E +A 348 0A 0 455,-2.9 2,-0.3 -2,-0.3 343,-0.2 -0.918 38.9 152.9-105.6 130.0 66.1 -41.4 -19.6 6 16 A G E -A 347 0A 0 341,-3.3 341,-3.0 -2,-0.5 2,-0.3 -0.936 32.7-117.2-151.7 176.0 65.5 -39.1 -16.6 7 17 A Y E -Ac 346 337A 0 329,-0.6 331,-2.1 -2,-0.3 339,-0.2 -0.817 32.9 -92.2-126.4 158.6 64.8 -39.0 -12.9 8 18 A H + 0 0 18 337,-3.0 313,-0.4 -2,-0.3 2,-0.3 0.107 40.3 168.0 -63.1 173.7 62.0 -37.8 -10.6 9 19 A A + 0 0 1 332,-0.5 2,-0.3 329,-0.4 311,-0.1 -0.912 3.0 161.1-176.6 164.5 61.8 -34.3 -9.0 10 20 A N - 0 0 34 -2,-0.3 329,-0.1 2,-0.1 330,-0.1 -0.928 52.1 -67.2-172.3-169.3 59.2 -32.2 -7.1 11 21 A N S S+ 0 0 155 -2,-0.3 16,-0.0 328,-0.1 309,-0.0 0.298 75.5 133.2 -89.7 7.9 58.2 -29.4 -4.8 12 22 A S - 0 0 20 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.225 39.8-166.1 -56.3 147.3 59.9 -30.8 -1.7 13 23 A T + 0 0 125 14,-0.1 2,-0.4 12,-0.1 -1,-0.1 -0.159 39.2 137.6-124.2 38.1 62.1 -28.6 0.5 14 24 A D E -F 26 0B 52 12,-0.7 12,-2.7 13,-0.0 2,-0.4 -0.701 33.1-166.8 -80.8 134.2 63.7 -31.3 2.5 15 25 A T E +F 25 0B 34 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.935 7.7 179.6-120.0 143.2 67.5 -30.8 3.0 16 26 A V E -F 24 0B 0 8,-2.4 8,-2.3 -2,-0.4 2,-0.3 -0.854 23.3-118.6-130.8 174.5 70.0 -33.3 4.3 17 27 A D - 0 0 53 296,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.878 26.6-177.2-113.8 152.0 73.7 -33.4 5.0 18 28 A T - 0 0 9 3,-1.6 3,-0.2 -2,-0.3 408,-0.2 -0.936 41.4-103.0-139.6 163.6 76.3 -35.5 3.4 19 29 A V S S+ 0 0 79 406,-0.9 3,-0.1 -2,-0.3 407,-0.1 0.886 119.4 37.3 -49.1 -45.3 80.0 -36.1 3.7 20 30 A L S S+ 0 0 137 1,-0.2 2,-0.3 405,-0.2 -1,-0.2 0.713 125.0 18.0 -89.2 -23.1 80.8 -34.1 0.6 21 31 A E - 0 0 99 -3,-0.2 -3,-1.6 3,-0.0 3,-0.4 -0.990 66.4-130.9-158.1 138.9 78.3 -31.3 0.7 22 32 A K S S+ 0 0 176 -2,-0.3 -5,-0.2 1,-0.2 -6,-0.1 -0.371 79.8 13.8 -84.4 162.7 76.0 -29.6 3.2 23 33 A N S S- 0 0 102 1,-0.2 2,-0.4 -2,-0.1 -6,-0.2 0.786 73.2-179.2 44.5 48.3 72.3 -28.7 2.9 24 34 A V E -F 16 0B 3 -8,-2.3 -8,-2.4 -3,-0.4 2,-0.3 -0.667 23.6-132.5 -76.8 125.3 71.4 -30.9 -0.1 25 35 A T E -F 15 0B 55 -2,-0.4 295,-1.5 -10,-0.2 2,-0.3 -0.609 30.4-171.1 -80.7 136.5 67.8 -30.7 -1.2 26 36 A V E -FG 14 319B 0 -12,-2.7 -12,-0.7 -2,-0.3 293,-0.2 -0.924 33.6-129.0-134.8 154.8 66.2 -34.1 -1.8 27 37 A T S S+ 0 0 4 291,-3.5 2,-0.3 -2,-0.3 -15,-0.1 0.835 93.4 8.9 -71.1 -34.0 63.0 -35.5 -3.3 28 38 A H + 0 0 72 290,-0.3 289,-2.3 -16,-0.1 288,-1.9 -0.991 67.1 158.7-148.4 149.1 62.2 -37.7 -0.3 29 39 A S E -H 315 0C 20 -2,-0.3 2,-0.3 286,-0.3 286,-0.2 -0.935 27.5-132.5-169.0 144.9 63.6 -38.2 3.2 30 40 A V E -H 314 0C 52 284,-2.1 284,-2.5 -2,-0.3 2,-0.6 -0.797 20.8-131.8-102.5 147.6 62.7 -39.6 6.7 31 41 A N E -H 313 0C 54 -2,-0.3 282,-0.2 282,-0.2 -2,-0.0 -0.862 19.6-176.5 -97.8 125.0 63.3 -37.8 9.9 32 42 A L + 0 0 4 280,-3.1 260,-1.9 -2,-0.6 2,-0.6 0.617 59.3 83.4 -93.1 -11.4 65.0 -40.0 12.6 33 43 A L E -i 292 0D 4 279,-0.6 2,-0.5 258,-0.1 260,-0.2 -0.834 63.4-154.0-108.4 114.3 64.9 -37.5 15.4 34 44 A E E +i 293 0D 30 258,-3.5 260,-1.6 -2,-0.6 261,-0.4 -0.747 25.8 158.0 -83.7 128.2 61.9 -37.1 17.6 35 45 A D + 0 0 94 -2,-0.5 2,-0.3 258,-0.2 -1,-0.1 0.233 39.5 90.3-136.4 15.7 61.7 -33.6 19.1 36 46 A S - 0 0 74 251,-0.0 2,-0.3 2,-0.0 251,-0.3 -0.848 48.2-177.8-111.1 153.2 58.0 -32.9 20.1 37 47 A H - 0 0 82 -2,-0.3 249,-0.2 249,-0.1 248,-0.0 -0.999 38.2-109.6-151.8 158.3 56.2 -33.6 23.3 38 48 A N - 0 0 60 247,-2.4 246,-0.1 -2,-0.3 3,-0.1 0.623 38.0-136.0 -30.8 -42.9 53.0 -33.5 25.2 39 49 A G S S+ 0 0 33 1,-0.2 2,-0.3 246,-0.2 -1,-0.1 0.269 74.9 92.8 80.1 -8.1 53.9 -30.8 27.7 40 50 A K S S- 0 0 66 245,-0.2 245,-0.9 230,-0.1 2,-0.7 -0.771 78.1-121.4-129.7 158.0 52.4 -33.1 30.3 41 51 A L E -k 272 0E 0 230,-2.4 232,-1.9 -2,-0.3 234,-0.2 -0.845 46.7-176.2 -94.0 118.6 53.0 -35.9 32.8 42 52 A b E - 0 0 0 -2,-0.7 234,-0.2 230,-0.2 2,-0.2 -0.529 28.3 -87.3-112.3 174.4 50.8 -38.8 31.8 43 53 A K E -k 276 0E 59 232,-3.6 234,-2.7 -2,-0.2 2,-0.4 -0.492 31.9-146.6 -71.4 150.9 49.8 -42.2 32.9 44 54 A L E > S-kL 277 47E 21 3,-1.9 3,-2.4 232,-0.2 234,-0.1 -0.984 83.6 -9.1-119.9 127.6 51.9 -45.2 31.9 45 54AA K T 3 S- 0 0 193 232,-0.7 -1,-0.2 -2,-0.4 3,-0.1 0.868 130.1 -61.1 48.6 37.2 49.9 -48.5 31.2 46 55 A G T 3 S+ 0 0 40 1,-0.2 2,-0.4 231,-0.2 -1,-0.3 0.398 110.5 119.4 73.4 -5.7 46.9 -46.6 32.6 47 56 A I B < -L 44 0E 71 -3,-2.4 -3,-1.9 29,-0.1 -1,-0.2 -0.802 59.5-129.9 -96.7 139.7 48.4 -46.0 36.1 48 57 A A - 0 0 45 -2,-0.4 29,-1.8 -5,-0.2 30,-0.3 -0.468 21.9-113.6 -82.2 152.1 48.9 -42.4 37.3 49 58 A P - 0 0 15 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.372 31.1-108.3 -74.2 164.5 52.1 -41.2 38.7 50 59 A L E -m 79 0F 17 28,-2.7 30,-2.8 -2,-0.1 2,-1.1 -0.857 27.6-150.3 -97.0 116.2 52.3 -40.2 42.3 51 60 A Q E -m 80 0F 66 -2,-0.8 3,-0.2 28,-0.2 30,-0.1 -0.703 14.7-176.4 -89.3 98.2 52.6 -36.5 42.6 52 61 A L > + 0 0 4 28,-1.9 3,-2.9 -2,-1.1 -1,-0.2 0.608 21.8 175.3 -65.3 -11.7 54.6 -35.7 45.8 53 62 A G T 3 + 0 0 23 27,-0.3 29,-0.6 1,-0.3 31,-0.3 -0.126 69.3 0.4 46.6-112.1 54.0 -32.0 45.1 54 63 A K T 3 S+ 0 0 96 -3,-0.2 33,-2.3 31,-0.2 32,-0.9 0.623 125.3 74.0 -87.6 -12.0 55.4 -30.0 48.0 55 64 A c B < -o 87 0G 4 -3,-2.9 27,-0.4 30,-0.2 2,-0.2 -0.442 67.4-149.4 -86.3 169.2 56.6 -33.1 49.9 56 65 A N > - 0 0 26 31,-1.4 4,-2.3 -2,-0.1 5,-0.2 -0.696 43.3 -79.3-126.9-172.5 59.7 -35.2 49.0 57 66 A I H > S+ 0 0 0 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.925 129.7 51.7 -62.4 -40.7 60.3 -39.0 49.6 58 67 A A H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.952 110.3 47.4 -58.2 -50.7 61.2 -38.4 53.2 59 68 A G H >>S+ 0 0 0 28,-0.3 5,-2.2 1,-0.2 4,-1.6 0.897 113.5 49.3 -57.3 -39.7 58.1 -36.5 53.9 60 69 A W H <5S+ 0 0 14 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.953 116.5 38.2 -67.5 -48.3 55.9 -39.0 52.2 61 70 A L H <5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 119.7 44.2 -76.8 -40.0 57.2 -42.1 53.9 62 71 A L H <5S- 0 0 1 -4,-2.7 85,-1.9 -5,-0.3 86,-0.3 0.843 111.6-118.4 -73.9 -27.1 57.7 -40.7 57.4 63 72 A G T <5 - 0 0 4 -4,-1.6 83,-1.6 -5,-0.4 -3,-0.2 0.841 29.8-159.2 88.1 40.7 54.3 -39.0 57.2 64 73 A N > < - 0 0 5 -5,-2.2 3,-3.0 -6,-0.2 -1,-0.1 -0.352 27.6-118.8 -49.4 131.8 55.4 -35.3 57.6 65 74 A P G > S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.727 112.2 63.1 -53.2 -27.4 52.3 -33.6 58.8 66 75 A E G 3 S+ 0 0 86 1,-0.2 3,-0.2 22,-0.1 -12,-0.1 0.496 94.9 64.5 -72.6 -1.1 52.2 -31.4 55.7 67 76 A c G X + 0 0 6 -3,-3.0 3,-2.2 -8,-0.2 4,-0.3 0.080 54.9 125.3-115.0 26.3 51.7 -34.5 53.5 68 77 A D G X + 0 0 44 -3,-0.8 3,-2.9 1,-0.3 4,-0.4 0.893 67.1 67.6 -55.7 -42.3 48.3 -35.8 54.6 69 78 A L G 3 S+ 0 0 170 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.771 99.3 54.0 -43.9 -29.4 47.0 -35.7 51.0 70 79 A L G X S+ 0 0 21 -3,-2.2 3,-1.3 1,-0.2 -1,-0.3 0.602 79.5 92.4 -83.2 -7.0 49.5 -38.5 50.3 71 80 A L T < S+ 0 0 67 -3,-2.9 -1,-0.2 -4,-0.3 -2,-0.1 0.845 88.6 48.1 -57.7 -31.4 48.3 -40.8 53.1 72 81 A T T 3 S+ 0 0 126 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.639 82.2 110.3 -84.3 -19.5 45.9 -42.5 50.7 73 82 A A < + 0 0 24 -3,-1.3 3,-0.1 -4,-0.2 -23,-0.0 -0.370 26.8 151.8 -59.9 138.0 48.3 -43.2 47.9 74 83 A S + 0 0 63 1,-0.4 37,-2.1 35,-0.1 2,-0.3 0.480 58.7 33.6-143.6 -18.3 49.1 -46.9 47.5 75 83AA S B +P 110 0H 75 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -1.000 59.6 160.2-140.3 151.1 49.9 -47.6 43.8 76 84 A W - 0 0 4 33,-2.1 3,-0.1 -2,-0.3 -28,-0.1 -0.994 41.6-131.9-161.2 154.2 51.7 -45.5 41.0 77 85 A S S S- 0 0 17 -29,-1.8 2,-0.3 1,-0.3 187,-0.2 0.763 92.2 -20.5 -81.3 -28.5 53.5 -45.7 37.6 78 86 A Y S S- 0 0 0 -30,-0.3 -28,-2.7 185,-0.2 2,-0.5 -0.945 70.2-107.6-169.8 165.0 56.3 -43.5 38.7 79 87 A I E -mn 50 265F 0 185,-3.0 187,-2.7 -2,-0.3 2,-0.5 -0.881 25.7-156.6-108.3 133.0 57.0 -40.9 41.4 80 88 A V E -mn 51 266F 0 -30,-2.8 -28,-1.9 -2,-0.5 -27,-0.3 -0.916 8.4-174.6-108.7 127.1 57.3 -37.2 40.7 81 89 A E E - n 0 267F 19 185,-3.4 187,-3.0 -2,-0.5 2,-0.2 -0.771 15.5-152.3-103.5 165.9 59.1 -34.7 42.9 82 90 A T > - 0 0 18 -29,-0.6 3,-2.1 -27,-0.4 187,-0.2 -0.772 34.8 -94.3-131.5 172.7 58.9 -31.0 42.0 83 91 A S T 3 S+ 0 0 73 1,-0.3 186,-0.1 -2,-0.2 -29,-0.1 0.600 126.4 53.7 -63.6 -9.1 61.1 -27.8 42.5 84 92 A N T 3 + 0 0 104 -31,-0.3 2,-2.3 -29,-0.1 3,-0.4 0.102 70.0 123.8-111.6 22.2 59.0 -27.3 45.6 85 93 A S < + 0 0 19 -3,-2.1 -30,-0.2 1,-0.2 -31,-0.2 -0.440 29.2 123.2 -83.9 72.5 59.5 -30.7 47.2 86 94 A E + 0 0 148 -2,-2.3 2,-1.1 -32,-0.9 -1,-0.2 0.769 34.0 97.4-106.6 -21.5 60.9 -29.5 50.5 87 95 A N B +o 55 0G 40 -33,-2.3 -31,-1.4 -3,-0.4 -28,-0.3 -0.469 54.0 107.3 -65.4 98.6 58.6 -30.9 53.2 88 95AA G S S+ 0 0 5 -2,-1.1 2,-1.0 1,-0.2 3,-0.1 0.172 71.7 23.3-130.9 -97.8 60.5 -33.9 54.4 89 96 A T + 0 0 40 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 -0.615 60.1 177.3 -79.8 101.3 62.3 -34.3 57.6 90 97 A d S S+ 0 0 5 -2,-1.0 -1,-0.2 -3,-0.1 47,-0.1 0.872 71.5 58.5 -80.4 -33.4 60.6 -31.7 59.8 91 98 A Y S S- 0 0 8 -3,-0.1 136,-0.1 45,-0.1 130,-0.1 -0.854 106.7-108.7 -88.9 122.0 62.6 -32.5 62.9 92 99 A P + 0 0 12 0, 0.0 135,-1.9 0, 0.0 2,-0.2 -0.155 67.0 98.0 -57.6 146.1 66.3 -31.9 61.9 93 100 A G - 0 0 31 133,-0.2 2,-0.3 -4,-0.1 135,-0.2 -0.868 68.7 -66.1 161.4 168.9 68.5 -34.9 61.4 94 101 A D - 0 0 108 -2,-0.2 135,-2.9 4,-0.0 2,-0.8 -0.644 26.6-149.0 -75.5 141.3 70.1 -37.4 59.0 95 102 A F B > -t 229 0I 21 -2,-0.3 3,-0.9 133,-0.2 135,-0.2 -0.916 31.7-135.5-104.4 98.5 68.1 -39.9 57.1 96 103 A I T 3 S+ 0 0 47 133,-2.1 135,-0.2 -2,-0.8 5,-0.1 -0.283 79.2 1.7 -63.8 141.4 70.7 -42.7 56.9 97 104 A D T 3> S+ 0 0 96 1,-0.1 4,-2.3 3,-0.1 -1,-0.2 0.892 81.1 157.7 50.5 50.0 71.1 -44.3 53.5 98 105 A Y H <> + 0 0 41 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.944 68.2 49.5 -72.5 -43.0 68.5 -42.1 52.1 99 106 A E H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 109.6 51.5 -65.1 -38.4 69.7 -42.5 48.5 100 107 A E H > S+ 0 0 117 2,-0.2 4,-3.4 1,-0.2 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