==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 24-MAR-13 4JUH . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR W.ZHANG,Y.SHI,J.QI,F.GAO,Q.LI,Z.FAN,J.YAN,G.F.GAO . 1471 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 937 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 19.4 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 142 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 0 3 6 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 12 9 6 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 . 26 17 15 7 0 5 2 0 3 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 . 10 13 4 2 0 0 3 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 A D 0 0 69 0, 0.0 464,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.4 11.2 -97.5 -0.8 2 6 A T E -AB 352 464A 25 350,-1.4 350,-3.3 462,-0.2 2,-0.3 -0.941 360.0-148.7-152.4 162.3 10.2 -94.2 0.7 3 7 A I E -AB 351 463A 1 460,-1.8 460,-2.4 -2,-0.3 2,-0.3 -0.985 18.5-156.3-139.9 130.7 9.6 -90.4 0.4 4 8 A a E -AB 350 462A 20 346,-4.0 346,-2.6 -2,-0.3 2,-0.4 -0.814 5.5-145.2-109.0 147.5 10.1 -87.9 3.2 5 9 A I E +A 349 0A 1 456,-2.2 2,-0.2 -2,-0.3 344,-0.2 -0.915 37.8 127.5-111.2 137.3 8.5 -84.4 3.6 6 10 A G E -A 348 0A 1 342,-2.0 342,-2.0 -2,-0.4 2,-0.3 -0.865 40.2-100.6-164.5-164.7 10.4 -81.6 5.3 7 11 A Y E -A 347 0A 0 330,-0.3 332,-3.0 -2,-0.2 340,-0.2 -0.893 36.4 -79.5-143.0 166.7 11.7 -78.0 5.3 8 12 A H B +e 339 0B 18 338,-2.3 313,-0.3 -2,-0.3 2,-0.3 -0.120 38.6 172.9 -70.2 156.4 14.8 -75.8 4.7 9 13 A A + 0 0 1 330,-0.9 2,-0.3 333,-0.4 311,-0.1 -0.976 1.8 164.0-157.4 157.1 17.7 -75.1 7.1 10 14 A N - 0 0 30 -2,-0.3 330,-0.1 2,-0.2 331,-0.1 -0.918 52.2 -81.3-161.2-175.1 21.1 -73.3 7.0 11 15 A N S S+ 0 0 155 -2,-0.3 2,-0.1 329,-0.1 16,-0.0 0.290 73.9 137.4 -85.2 11.1 24.0 -71.8 8.9 12 16 A S - 0 0 20 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.358 34.7-173.2 -62.1 130.5 22.1 -68.6 9.6 13 17 A T + 0 0 121 -2,-0.1 2,-0.3 12,-0.1 -1,-0.1 0.076 39.5 131.5-111.8 20.8 22.5 -67.2 13.1 14 18 A D - 0 0 65 12,-0.5 12,-2.5 13,-0.1 2,-0.4 -0.559 39.1-162.9 -71.5 135.0 19.9 -64.5 12.7 15 19 A T E -F 25 0C 24 10,-0.3 2,-0.2 -2,-0.3 10,-0.2 -0.954 8.9-173.4-124.0 142.7 17.4 -64.3 15.6 16 20 A V E -F 24 0C 1 8,-1.6 8,-2.9 -2,-0.4 2,-0.4 -0.748 20.9-118.3-122.5 174.5 14.0 -62.6 15.8 17 21 A D - 0 0 48 296,-0.5 2,-0.2 -2,-0.2 5,-0.2 -0.939 23.7-176.6-119.1 138.2 11.5 -62.1 18.6 18 22 A T - 0 0 1 3,-2.8 409,-0.2 -2,-0.4 408,-0.1 -0.673 40.8-105.8-117.8 178.2 7.9 -63.3 18.9 19 23 A V S S+ 0 0 10 407,-0.5 856,-0.2 -2,-0.2 857,-0.1 0.841 119.6 36.0 -73.5 -32.9 5.3 -62.7 21.5 20 24 A L S S+ 0 0 32 1,-0.2 2,-0.3 851,-0.1 851,-0.2 0.754 126.7 23.2 -90.4 -28.1 5.6 -66.2 23.0 21 25 A E - 0 0 81 850,-0.1 -3,-2.8 851,-0.0 2,-0.3 -0.982 64.8-143.3-144.8 148.8 9.3 -66.7 22.6 22 26 A K S S+ 0 0 87 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.765 74.3 21.1-113.5 161.1 12.6 -64.7 22.3 23 27 A N + 0 0 108 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.943 69.7 176.4 48.7 60.5 15.8 -65.2 20.2 24 28 A V E -F 16 0C 2 -8,-2.9 -8,-1.6 -3,-0.2 -1,-0.2 -0.825 24.9-137.7 -97.1 101.8 14.3 -67.5 17.7 25 29 A T E -F 15 0C 52 -2,-0.9 295,-2.1 -10,-0.2 2,-0.3 -0.312 28.0-171.6 -59.0 136.3 16.9 -68.3 15.1 26 30 A V B -G 319 0D 0 -12,-2.5 -12,-0.5 293,-0.3 293,-0.2 -0.921 33.6-126.2-134.5 159.0 15.5 -68.2 11.6 27 31 A T S S+ 0 0 5 291,-2.4 2,-0.4 -2,-0.3 -1,-0.1 0.910 95.1 16.6 -68.6 -45.2 16.6 -69.1 8.0 28 32 A H + 0 0 74 290,-0.3 289,-2.7 -16,-0.1 288,-2.5 -0.992 68.7 157.7-136.5 139.2 15.8 -65.8 6.5 29 33 A S E -H 315 0E 20 -2,-0.4 2,-0.4 286,-0.3 286,-0.2 -0.993 25.4-139.8-156.2 154.6 15.1 -62.3 7.9 30 34 A V E -H 314 0E 53 284,-2.5 284,-2.3 -2,-0.3 2,-0.5 -0.958 17.4-131.9-121.0 139.0 15.2 -58.6 7.0 31 35 A N E -H 313 0E 54 -2,-0.4 282,-0.2 282,-0.2 -2,-0.0 -0.773 19.4-178.9 -88.3 128.3 16.4 -55.7 9.1 32 36 A L + 0 0 5 280,-2.8 260,-1.5 -2,-0.5 2,-0.6 0.399 59.0 84.1-104.5 -0.3 13.9 -52.8 9.2 33 37 A L E -i 292 0F 1 279,-0.3 2,-0.5 258,-0.1 260,-0.2 -0.908 62.6-155.0-114.7 113.2 16.0 -50.5 11.4 34 38 A E E +i 293 0F 30 258,-2.7 260,-1.5 -2,-0.6 261,-0.4 -0.740 25.1 159.6 -84.5 124.4 18.8 -48.3 10.0 35 39 A D + 0 0 98 -2,-0.5 2,-0.5 258,-0.2 -1,-0.1 0.181 43.9 95.8-130.2 13.5 21.4 -47.5 12.6 36 40 A S + 0 0 73 251,-0.0 251,-0.3 2,-0.0 2,-0.2 -0.935 47.3 174.4-112.4 122.2 24.4 -46.5 10.3 37 41 A H - 0 0 85 -2,-0.5 249,-0.2 249,-0.1 -2,-0.1 -0.511 37.3-113.4-115.0-170.7 25.1 -42.9 9.5 38 42 A N - 0 0 68 247,-1.2 246,-0.1 2,-0.2 3,-0.1 0.749 29.9-135.2 -97.7 -29.3 27.8 -41.0 7.7 39 44 A G S S+ 0 0 31 1,-0.2 2,-0.3 246,-0.2 245,-0.2 0.545 75.3 93.3 80.5 9.2 29.5 -38.9 10.4 40 45 A K S S- 0 0 65 230,-0.1 2,-0.7 245,-0.1 245,-0.6 -0.969 76.8-124.7-139.4 147.0 29.4 -36.0 8.0 41 46 A L E -k 272 0G 0 230,-2.8 232,-1.9 -2,-0.3 2,-0.2 -0.834 45.1-173.1 -89.1 115.8 27.2 -33.0 7.1 42 47 A b E - 0 0 1 -2,-0.7 234,-0.2 230,-0.2 232,-0.1 -0.511 25.2 -89.5-109.9 172.6 26.6 -33.3 3.4 43 48 A K E -k 276 0G 53 232,-3.1 234,-1.3 230,-0.3 2,-0.4 -0.252 31.2-142.2 -71.5 167.2 25.0 -31.4 0.5 44 49 A L E > S-kL 277 47G 19 3,-2.2 3,-1.1 232,-0.2 234,-0.1 -0.925 80.9 -12.9-139.3 108.9 21.3 -31.7 -0.4 45 49AA K T 3 S- 0 0 200 232,-0.6 3,-0.1 -2,-0.4 233,-0.1 0.820 128.9 -57.3 64.9 32.2 20.4 -31.7 -4.1 46 50 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 231,-0.2 -1,-0.2 0.085 113.8 114.4 92.0 -23.1 23.9 -30.5 -4.9 47 51 A I B < -L 44 0G 81 -3,-1.1 -3,-2.2 29,-0.1 -1,-0.2 -0.671 62.2-129.2 -90.4 133.7 23.7 -27.4 -2.7 48 52 A A - 0 0 47 -2,-0.4 29,-1.0 -5,-0.2 30,-0.2 -0.407 22.0-108.6 -80.0 152.7 25.9 -27.1 0.4 49 53 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.430 31.7-113.9 -73.1 154.6 24.8 -26.2 3.9 50 54 A L E -m 79 0H 22 28,-2.3 30,-2.5 -2,-0.1 2,-0.7 -0.834 25.4-151.6 -94.2 117.8 25.6 -22.9 5.4 51 55 A Q E -m 80 0H 95 -2,-0.6 30,-0.1 28,-0.2 28,-0.1 -0.800 13.1-173.8 -91.8 116.7 28.0 -23.1 8.4 52 56 A L > - 0 0 6 28,-2.3 3,-1.4 -2,-0.7 2,-0.3 0.763 20.5-174.3 -79.0 -24.7 27.6 -20.3 10.9 53 57 A G T 3 S- 0 0 31 27,-0.5 29,-0.7 1,-0.3 31,-0.2 -0.516 70.5 -4.6 70.0-124.3 30.6 -21.5 12.9 54 58 A K T 3 S+ 0 0 95 -2,-0.3 33,-2.6 12,-0.2 32,-0.8 0.334 124.8 86.8 -85.1 8.7 31.0 -19.4 16.1 55 59 A c B < -o 87 0I 2 -3,-1.4 27,-0.3 30,-0.2 33,-0.2 -0.778 63.0-154.8-104.5 150.9 28.1 -17.3 14.9 56 60 A N > - 0 0 28 31,-1.1 4,-2.0 -2,-0.3 5,-0.2 -0.471 44.8 -83.7-105.5-172.7 24.4 -17.9 15.5 57 61 A I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.896 128.9 54.1 -60.2 -40.0 21.5 -16.6 13.4 58 62 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.941 109.1 47.0 -59.7 -49.8 21.5 -13.2 15.2 59 63 A G H >>S+ 0 0 0 1,-0.2 5,-2.4 28,-0.2 4,-1.3 0.868 114.7 48.1 -59.0 -39.2 25.2 -12.7 14.5 60 64 A W H <5S+ 0 0 11 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.926 115.3 41.1 -70.0 -46.2 24.8 -13.6 10.8 61 65 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.831 120.5 41.2 -77.8 -33.8 21.7 -11.5 10.1 62 66 A L H <5S- 0 0 0 -4,-2.3 85,-2.0 -5,-0.3 86,-0.3 0.794 112.1-119.2 -80.1 -29.9 22.8 -8.3 12.0 63 67 A G T <5 - 0 0 1 -4,-1.3 83,-1.8 -5,-0.4 -3,-0.2 0.864 30.1-159.8 90.7 43.8 26.3 -8.7 10.8 64 68 A N > < - 0 0 5 -5,-2.4 3,-3.0 81,-0.2 -1,-0.1 -0.325 27.9-116.7 -53.0 133.4 28.3 -9.1 14.0 65 69 A P G > S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.781 113.8 58.6 -47.1 -37.8 32.0 -8.3 13.3 66 70 A E G 3 S+ 0 0 80 1,-0.3 3,-0.2 71,-0.1 -12,-0.2 0.483 99.0 62.9 -72.2 -1.3 33.1 -11.8 14.1 67 71 A c G X + 0 0 4 -3,-3.0 3,-1.6 -8,-0.2 4,-0.3 0.056 59.6 123.7-112.6 24.8 30.8 -13.1 11.4 68 72 A D G X + 0 0 41 -3,-1.0 3,-1.2 1,-0.3 4,-0.2 0.728 65.6 66.7 -65.5 -23.0 32.4 -11.5 8.3 69 73 A L G > S+ 0 0 164 1,-0.2 3,-1.1 -3,-0.2 4,-0.3 0.846 95.4 59.3 -59.9 -33.5 32.9 -14.8 6.5 70 74 A L G X S+ 0 0 14 -3,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.568 77.9 89.3 -75.9 -8.4 29.1 -15.1 6.3 71 75 A L G < S+ 0 0 69 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.716 87.6 52.8 -61.5 -18.8 28.9 -11.8 4.4 72 76 A T G < S+ 0 0 123 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.782 80.3 119.1 -86.6 -31.2 29.2 -13.9 1.2 73 77 A A < + 0 0 24 -3,-0.7 3,-0.1 -4,-0.3 37,-0.0 0.012 19.7 144.5 -40.7 133.4 26.4 -16.4 2.0 74 78 A S + 0 0 62 1,-0.4 37,-2.1 35,-0.1 2,-0.3 0.493 60.6 26.7-141.5 -39.0 23.6 -16.4 -0.5 75 79 A S B +P 110 0J 68 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.984 58.4 162.7-136.8 148.1 22.3 -19.9 -1.0 76 80 A W - 0 0 4 33,-2.3 3,-0.1 -2,-0.3 -28,-0.1 -0.987 37.8-141.6-156.7 158.4 22.0 -23.0 1.2 77 81 A S S S- 0 0 14 -29,-1.0 2,-0.3 1,-0.4 187,-0.2 0.747 90.8 -18.0 -92.7 -31.2 20.3 -26.4 1.6 78 82 A Y S S- 0 0 0 -30,-0.2 -28,-2.3 185,-0.2 -1,-0.4 -0.955 71.3-108.2-165.9 166.4 20.1 -26.1 5.4 79 83 A I E -mn 50 265H 1 185,-2.9 187,-2.6 -2,-0.3 2,-0.5 -0.811 23.0-156.3-110.4 144.7 21.7 -24.1 8.2 80 84 A V E -mn 51 266H 2 -30,-2.5 -28,-2.3 -2,-0.3 -27,-0.5 -0.968 9.5-178.1-125.6 122.8 24.1 -25.3 10.8 81 85 A E E - n 0 267H 15 185,-2.5 187,-2.5 -2,-0.5 2,-0.2 -0.807 17.3-149.1-105.4 157.4 24.9 -23.9 14.3 82 86 A T > - 0 0 31 -29,-0.7 3,-1.6 -27,-0.3 187,-0.1 -0.625 34.0 -94.7-118.9 179.9 27.5 -25.4 16.5 83 87 A S T 3 S+ 0 0 84 1,-0.3 -29,-0.1 -2,-0.2 186,-0.1 0.566 126.0 50.9 -70.9 -6.8 28.1 -25.8 20.3 84 88 A N T 3 S+ 0 0 97 -31,-0.2 2,-1.6 -29,-0.1 3,-0.4 0.013 70.0 122.6-120.4 25.6 30.2 -22.6 20.0 85 89 A S < + 0 0 19 -3,-1.6 -30,-0.2 1,-0.2 -31,-0.2 -0.613 30.0 122.5 -85.8 77.5 27.7 -20.4 18.2 86 90 A E + 0 0 145 -2,-1.6 2,-1.3 -32,-0.8 -1,-0.2 0.484 37.6 97.9-118.0 -7.5 27.7 -17.6 20.8 87 91 A N B +o 55 0I 38 -33,-2.6 -31,-1.1 -3,-0.4 -28,-0.2 -0.706 54.9 100.2 -83.1 95.2 28.8 -14.6 18.7 88 92 A G S S+ 0 0 2 -2,-1.3 2,-1.1 -33,-0.2 -1,-0.1 0.263 74.5 29.8-133.5 -91.5 25.4 -13.0 17.9 89 93 A T + 0 0 48 1,-0.2 4,-0.1 -3,-0.1 -1,-0.1 -0.679 60.8 172.4 -84.3 98.4 24.1 -10.0 19.8 90 94 A d + 0 0 6 -2,-1.1 -1,-0.2 -3,-0.1 47,-0.1 0.755 66.4 62.0 -84.6 -26.2 27.3 -8.2 20.8 91 95 A Y S S- 0 0 8 45,-0.1 136,-0.2 136,-0.0 130,-0.1 -0.921 103.9-107.7 -96.7 123.3 25.6 -5.1 22.2 92 96 A P + 0 0 9 0, 0.0 135,-2.2 0, 0.0 2,-0.3 -0.155 69.6 89.2 -58.1 138.3 23.4 -6.3 25.1 93 97 A G S S- 0 0 25 133,-0.3 2,-0.4 -4,-0.1 135,-0.2 -0.942 71.8 -60.1 161.2-178.1 19.6 -6.3 24.6 94 98 A D - 0 0 85 -2,-0.3 135,-2.6 3,-0.0 2,-0.9 -0.786 27.3-146.9 -97.4 135.2 16.6 -8.3 23.4 95 99 A F B > -q 229 0J 28 -2,-0.4 3,-1.2 133,-0.2 4,-0.2 -0.866 32.4-135.9 -93.3 100.7 16.1 -9.7 19.9 96 100 A I T 3 S- 0 0 32 133,-1.9 135,-0.1 -2,-0.9 5,-0.1 -0.353 78.4 -3.8 -67.9 134.4 12.3 -9.3 19.7 97 101 A D T 3> S+ 0 0 55 -2,-0.1 4,-1.2 1,-0.1 -1,-0.3 0.896 85.8 154.2 50.8 45.5 10.5 -12.3 18.2 98 102 A Y H <> + 0 0 25 -3,-1.2 4,-1.8 2,-0.2 5,-0.1 0.887 67.0 49.9 -70.4 -41.9 13.9 -13.9 17.6 99 103 A E H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 295,-0.2 0.881 108.5 54.4 -66.0 -37.8 12.6 -17.5 17.7 100 104 A E H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.841 106.4 52.7 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