==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 26-FEB-13 3ZP3 . COMPND 2 MOLECULE: HAEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.LIU,D.J.STEVENS,S.J.GAMBLIN,J.J.SKEHEL . 479 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 20.0 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 . 9 1.9 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 3 3 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 . 3 4 7 2 1 3 0 0 1 0 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 4 1 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 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 5 E D 0 0 60 0, 0.0 461,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.0 -31.9 34.9 -7.2 2 6 E Q E -AB 349 461A 58 347,-1.9 347,-1.8 459,-0.3 2,-0.4 -0.987 360.0-162.9-152.0 135.5 -33.3 34.1 -3.9 3 7 E I E -AB 348 460A 0 457,-2.2 457,-3.3 -2,-0.3 2,-0.3 -0.987 17.5-169.0-125.5 144.5 -34.4 35.7 -0.7 4 8 E a E -AB 347 459A 7 343,-2.9 343,-2.1 -2,-0.4 2,-0.4 -0.947 17.8-138.1-132.3 147.5 -34.8 33.8 2.6 5 9 E I E +A 346 0A 1 453,-2.7 2,-0.3 -2,-0.3 341,-0.2 -0.863 40.1 146.7-102.7 143.3 -36.4 34.4 6.0 6 10 E G E -A 345 0A 0 339,-2.2 339,-2.1 -2,-0.4 2,-0.3 -0.925 33.5-122.6-162.8-178.2 -34.4 33.2 9.0 7 11 E Y E -A 344 0A 0 327,-0.3 329,-2.8 -2,-0.3 337,-0.2 -0.862 34.6 -80.2-141.2 167.3 -33.4 33.7 12.6 8 12 E H B +e 336 0B 19 335,-2.0 2,-0.3 -2,-0.3 329,-0.2 -0.350 34.8 176.7 -74.0 139.0 -30.4 34.2 14.8 9 13 E A + 0 0 1 327,-1.6 2,-0.2 330,-0.2 330,-0.2 -0.940 8.7 166.6-128.3 160.5 -28.1 31.5 16.1 10 14 E N - 0 0 34 -2,-0.3 327,-0.1 310,-0.2 325,-0.1 -0.733 51.7 -81.9-150.1-158.5 -25.0 32.1 18.2 11 15 E N S S+ 0 0 148 -2,-0.2 16,-0.0 16,-0.1 326,-0.0 0.285 72.1 142.8-105.1 13.5 -22.5 30.1 20.3 12 16 E S - 0 0 27 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.193 31.5-177.2 -57.8 145.7 -24.7 30.2 23.4 13 17 E T + 0 0 125 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.352 40.7 130.4-126.6 -13.8 -24.7 27.1 25.6 14 18 E E - 0 0 73 12,-0.2 12,-2.6 13,-0.1 2,-0.4 -0.201 42.6-157.0 -47.9 131.6 -27.3 28.6 28.0 15 19 E Q E -F 25 0C 70 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.924 12.9-171.8-123.4 141.9 -30.2 26.2 28.7 16 20 E V E -F 24 0C 0 8,-2.5 8,-2.9 -2,-0.4 2,-0.3 -0.953 18.2-128.6-128.3 153.0 -33.8 26.6 29.9 17 21 E D - 0 0 36 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.729 21.3-176.9 -96.1 149.9 -36.5 24.2 30.9 18 22 E T - 0 0 10 3,-2.5 406,-0.2 -2,-0.3 405,-0.1 -0.809 42.5-101.1-126.5 174.1 -40.1 23.9 29.6 19 23 E I S S+ 0 0 92 404,-0.6 3,-0.1 -2,-0.3 405,-0.1 0.897 123.0 33.0 -58.0 -44.5 -43.1 21.7 30.5 20 24 E M S S+ 0 0 160 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.556 126.7 31.4 -93.1 -10.8 -42.5 19.5 27.4 21 25 E E - 0 0 81 3,-0.0 -3,-2.5 0, 0.0 3,-0.3 -0.947 61.9-151.5-156.9 128.9 -38.7 19.7 27.2 22 26 E K S S+ 0 0 163 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.633 76.4 18.4 -95.9 153.9 -35.8 20.0 29.5 23 27 E N + 0 0 90 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.915 68.8 175.2 53.6 57.5 -32.5 21.6 28.6 24 28 E V E -F 16 0C 2 -8,-2.9 -8,-2.5 -3,-0.3 2,-0.5 -0.811 29.9-129.2 -86.9 129.6 -33.4 23.6 25.5 25 29 E T E -F 15 0C 46 -2,-0.5 294,-2.4 294,-0.2 2,-0.3 -0.731 29.6-167.1 -82.1 130.8 -30.4 25.6 24.4 26 30 E V B -G 318 0D 0 -12,-2.6 -12,-0.2 -2,-0.5 292,-0.2 -0.896 31.7-130.3-119.2 146.6 -31.3 29.2 23.8 27 31 E T S S+ 0 0 3 290,-2.8 2,-0.3 -2,-0.3 -13,-0.1 0.830 96.3 12.8 -56.5 -38.0 -29.5 32.1 22.1 28 32 E H + 0 0 71 289,-0.3 287,-2.0 -16,-0.1 288,-1.9 -0.994 68.8 171.0-144.5 152.1 -30.1 34.3 25.2 29 33 E A E -H 314 0E 29 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.934 23.9-137.5-152.9 164.7 -31.3 33.8 28.8 30 34 E Q E -H 313 0E 81 283,-2.8 283,-2.6 -2,-0.3 2,-0.3 -0.916 12.9-151.8-136.8 111.7 -31.8 35.6 32.1 31 35 E D E +H 312 0E 45 -2,-0.4 281,-0.2 281,-0.2 -2,-0.0 -0.652 15.5 178.2 -79.0 134.0 -30.9 33.8 35.4 32 36 E I + 0 0 0 279,-2.5 259,-2.1 -2,-0.3 2,-0.5 0.293 49.2 90.5-123.1 6.5 -33.0 35.2 38.2 33 37 E L E -i 291 0F 0 278,-0.6 2,-0.6 257,-0.1 259,-0.3 -0.928 64.7-143.8-112.9 123.0 -31.9 33.2 41.2 34 38 E E E +i 292 0F 26 257,-2.1 259,-1.7 -2,-0.5 260,-0.2 -0.748 24.0 170.2 -86.3 124.2 -29.0 34.4 43.4 35 39 E K + 0 0 91 -2,-0.6 2,-0.3 257,-0.2 -1,-0.1 0.522 50.3 80.5-111.5 -5.9 -27.0 31.4 44.5 36 40 E K + 0 0 164 250,-0.1 2,-0.3 2,-0.0 250,-0.2 -0.746 43.8 168.7-112.8 146.0 -24.0 33.2 46.1 37 41 E H - 0 0 71 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.942 40.2-118.4-143.8 167.6 -23.3 34.9 49.4 38 42 E N - 0 0 72 246,-1.9 245,-0.1 -2,-0.3 247,-0.1 0.434 39.7-129.9 -92.2 0.6 -20.1 36.3 51.1 39 43 E G + 0 0 31 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.589 69.4 104.6 68.5 12.4 -20.3 34.0 54.1 40 44 E K S S- 0 0 100 244,-0.1 2,-0.5 229,-0.1 244,-0.4 -0.833 73.0-117.3-120.9 159.0 -19.9 36.8 56.7 41 45 E L E +k 271 0G 0 229,-0.9 231,-2.5 -2,-0.3 233,-0.3 -0.863 46.8 176.8 -90.0 130.9 -22.0 38.7 59.2 42 46 E b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.765 34.7 -82.9-130.3 168.1 -21.9 42.4 58.1 43 47 E D E -k 275 0G 27 231,-3.1 233,-2.0 -2,-0.2 2,-0.7 -0.456 39.4-128.9 -69.2 148.8 -23.3 45.7 59.0 44 48 E L E > S-kL 276 47G 19 3,-1.7 3,-1.3 1,-0.2 233,-0.2 -0.887 84.9 -24.5-103.3 104.8 -26.8 46.5 57.7 45 49 E D T 3 S- 0 0 95 231,-2.1 -1,-0.2 -2,-0.7 232,-0.1 0.946 128.2 -48.9 54.9 51.5 -26.7 49.9 55.9 46 50 E G T 3 S+ 0 0 51 230,-0.2 2,-0.8 -3,-0.2 -1,-0.2 0.034 115.2 117.0 84.6 -24.6 -23.7 51.0 58.0 47 51 E V B < -L 44 0G 55 -3,-1.3 -3,-1.7 29,-0.1 30,-0.2 -0.683 61.6-136.2 -89.9 101.6 -25.4 49.9 61.3 48 52 E K - 0 0 97 -2,-0.8 29,-0.4 -5,-0.2 -5,-0.1 -0.178 18.6-119.6 -54.5 137.1 -23.4 47.1 63.1 49 53 E P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.281 24.2-108.2 -69.3 163.1 -25.3 44.1 64.6 50 54 E L E -m 79 0H 13 28,-2.7 30,-3.1 23,-0.1 2,-0.8 -0.881 36.9-164.3 -89.3 108.7 -25.3 43.2 68.2 51 55 E I E -m 80 0H 17 -2,-0.8 30,-0.1 28,-0.2 220,-0.1 -0.872 9.7-172.5-103.8 103.8 -23.2 40.0 68.2 52 56 E L > - 0 0 0 28,-2.2 3,-1.6 -2,-0.8 2,-0.4 0.693 12.1-176.9 -67.6 -26.2 -23.7 38.2 71.5 53 57 E R T 3 S- 0 0 128 27,-0.3 29,-0.7 1,-0.3 -1,-0.2 -0.450 73.9 -2.1 63.0-120.3 -21.0 35.5 70.9 54 58 E D T 3 S+ 0 0 74 -2,-0.4 33,-2.7 31,-0.1 2,-0.4 0.297 117.6 93.3 -87.6 5.6 -21.1 33.2 73.8 55 59 E c B < -o 87 0I 3 -3,-1.6 27,-0.3 31,-0.2 33,-0.2 -0.844 64.4-143.3-105.1 139.1 -23.8 35.1 75.7 56 60 E S > - 0 0 4 31,-1.3 4,-2.1 -2,-0.4 5,-0.2 -0.470 33.8-102.9 -87.3 168.1 -27.6 34.4 75.4 57 61 E V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 126.3 48.8 -59.9 -42.8 -30.2 37.2 75.5 58 62 E A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.954 109.6 51.1 -55.9 -52.5 -30.9 36.3 79.1 59 63 E G H 4>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-0.4 0.830 113.8 47.0 -56.4 -32.7 -27.2 36.4 80.0 60 64 E W H <5S+ 0 0 5 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.965 114.5 41.6 -75.1 -53.4 -27.0 39.8 78.4 61 65 E L H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.899 117.8 44.9 -67.2 -45.8 -30.0 41.5 79.9 62 66 E L T <5S- 0 0 0 -4,-2.4 84,-1.7 -5,-0.2 85,-0.4 0.681 115.0-120.8 -67.7 -19.8 -29.6 40.2 83.5 63 67 E G T 5 - 0 0 9 -5,-0.4 82,-2.7 -4,-0.4 -3,-0.2 0.927 26.5-156.2 78.2 46.3 -25.9 41.0 83.1 64 68 E N > < - 0 0 1 -5,-2.6 3,-2.8 80,-0.2 -1,-0.1 -0.339 24.2-123.3 -46.5 128.7 -24.1 37.7 83.6 65 69 E P G > S+ 0 0 3 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.667 112.2 61.7 -58.8 -19.3 -20.6 38.7 84.7 66 70 E M G 3 S+ 0 0 91 1,-0.2 3,-0.2 2,-0.1 -12,-0.1 0.410 96.7 63.2 -79.6 -0.9 -19.2 36.7 81.7 67 71 E c G X + 0 0 6 -3,-2.8 3,-1.9 -8,-0.2 -1,-0.2 -0.128 57.9 128.5-117.7 33.3 -21.0 39.1 79.4 68 72 E D G X + 0 0 42 -3,-0.6 3,-2.5 1,-0.3 4,-0.3 0.788 58.6 77.3 -66.8 -26.3 -19.3 42.3 80.3 69 73 E E G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.746 99.1 48.5 -49.6 -20.6 -18.6 43.1 76.6 70 74 E F G < + 0 0 13 -3,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.078 69.4 115.2-116.0 21.4 -22.3 44.0 76.6 71 75 E I S < S+ 0 0 90 -3,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.932 97.5 10.0 -50.4 -50.9 -22.5 46.3 79.7 72 76 E N S S- 0 0 114 -4,-0.3 -1,-0.3 -3,-0.2 40,-0.1 -0.847 81.1-172.5-139.9 101.5 -23.4 49.2 77.4 73 77 E V - 0 0 19 -3,-0.4 38,-0.3 -2,-0.3 3,-0.1 -0.744 18.6-126.4-103.6 136.9 -24.2 48.5 73.7 74 78 E P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 37,-0.0 -0.299 50.5 -67.1 -71.2 160.6 -24.8 50.9 70.9 75 79 E E - 0 0 77 35,-0.1 35,-0.2 1,-0.1 2,-0.2 -0.132 61.2-157.4 -40.5 133.8 -27.9 50.9 68.6 76 80 E W - 0 0 2 33,-2.6 -28,-0.1 -3,-0.1 3,-0.1 -0.652 25.6-145.6-117.1 174.2 -27.9 47.7 66.5 77 81 E S S S- 0 0 7 1,-0.6 2,-0.3 -29,-0.4 186,-0.1 0.692 85.3 -14.1-107.4 -38.8 -29.5 46.7 63.3 78 82 E Y - 0 0 0 184,-0.2 -28,-2.7 -30,-0.1 -1,-0.6 -0.926 69.1-119.0-152.8 170.5 -30.1 43.1 64.2 79 83 E I E -mn 50 264H 0 184,-2.6 186,-3.0 -2,-0.3 2,-0.4 -0.927 17.9-152.0-117.4 141.1 -28.9 40.8 67.0 80 84 E V E +mn 51 265H 3 -30,-3.1 -28,-2.2 -2,-0.4 2,-0.4 -0.963 16.1 176.1-117.2 131.6 -27.0 37.5 66.5 81 85 E E E - n 0 266H 5 184,-2.6 186,-1.7 -2,-0.4 -25,-0.1 -0.992 28.0-120.8-134.5 137.7 -27.1 34.6 69.0 82 86 E K - 0 0 40 -29,-0.7 186,-0.1 -2,-0.4 -28,-0.0 -0.321 29.2-112.4 -71.3 159.6 -25.5 31.2 68.8 83 87 E A S S+ 0 0 54 1,-0.3 -1,-0.1 -2,-0.0 185,-0.0 0.940 111.2 18.3 -58.9 -46.3 -27.8 28.1 68.8 84 88 E N S S- 0 0 146 -28,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.644 80.8-162.2-128.1 79.8 -26.4 27.0 72.3 85 89 E P - 0 0 28 0, 0.0 3,-0.2 0, 0.0 -31,-0.1 -0.347 8.1-153.2 -64.7 131.8 -24.8 30.0 74.1 86 90 E V S S+ 0 0 108 1,-0.2 2,-1.5 -31,-0.1 -31,-0.2 0.878 83.5 64.4 -74.1 -39.8 -22.6 28.8 76.9 87 91 E N B S+o 55 0I 40 -33,-2.7 -31,-1.3 -21,-0.1 2,-0.4 -0.601 72.0 121.0 -88.7 75.6 -22.9 31.9 79.0 88 92 E D S S- 0 0 56 -2,-1.5 -31,-0.0 -33,-0.2 -33,-0.0 -0.999 78.4 -9.4-131.2 134.6 -26.5 32.0 79.9 89 93 E L - 0 0 19 -2,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.900 63.9-167.0 50.1 63.1 -28.0 31.9 83.4 90 94 E d S S+ 0 0 16 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.840 81.2 53.3 -58.5 -37.8 -24.8 31.2 85.3 91 95 E Y S S- 0 0 2 44,-0.1 135,-0.2 1,-0.1 129,-0.1 -0.906 111.4-105.8 -95.2 122.3 -26.8 30.4 88.4 92 96 E P + 0 0 8 0, 0.0 134,-2.2 0, 0.0 2,-0.3 0.018 68.0 93.1 -54.1 151.3 -29.3 27.8 87.3 93 97 E G E -p 226 0J 23 132,-0.2 2,-0.3 -4,-0.1 134,-0.2 -0.958 63.3 -73.2 171.7-151.9 -33.0 28.7 86.8 94 98 E D E -p 227 0J 101 132,-1.8 134,-1.9 -2,-0.3 2,-0.5 -0.928 23.1-138.2-135.0 161.7 -35.7 29.8 84.4 95 99 E F E > -p 228 0J 18 -2,-0.3 3,-1.2 132,-0.2 134,-0.2 -0.965 32.5-127.5-120.9 108.3 -36.5 33.1 82.7 96 100 E N T 3 S- 0 0 57 132,-2.8 134,-0.1 -2,-0.5 5,-0.1 -0.343 84.8 -2.9 -64.7 134.3 -40.2 33.6 82.8 97 101 E D T 3> S+ 0 0 96 -2,-0.1 4,-1.6 1,-0.1 -1,-0.3 0.839 84.0 160.9 52.3 41.4 -42.0 34.4 79.5 98 102 E Y H <> + 0 0 33 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.860 66.6 48.8 -61.4 -40.9 -38.5 34.4 77.9 99 103 E E H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 292,-0.3 0.832 108.3 53.4 -74.0 -30.2 -39.7 33.9 74.3 100 104 E E H > S+ 0 0 127 -3,-0.2 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