==== 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 25-MAR-13 4JUJ . 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) . 60360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 63.3 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 . 279 19.0 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 . 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 . 2 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 . 146 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 3 5 4 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 . 13 8 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 . 25 16 16 6 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 12 5 1 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 54 0, 0.0 464,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.5 4.2 -97.3 -10.9 2 6 A T E -AB 352 464A 34 350,-1.8 350,-2.4 462,-0.2 2,-0.3 -0.927 360.0-153.7-147.2 166.8 5.5 -94.3 -9.0 3 7 A I E -AB 351 463A 0 460,-2.3 460,-3.0 -2,-0.3 2,-0.3 -0.930 11.4-163.2-150.5 126.3 5.2 -90.5 -8.5 4 8 A a E -AB 350 462A 17 346,-2.9 346,-2.2 -2,-0.3 2,-0.4 -0.782 10.5-142.7-110.3 152.6 7.8 -88.0 -7.3 5 9 A I E +A 349 0A 0 456,-2.8 344,-0.2 -2,-0.3 2,-0.2 -0.944 36.6 142.0-112.2 135.7 7.4 -84.4 -6.0 6 10 A G E -A 348 0A 0 342,-2.3 342,-1.7 -2,-0.4 2,-0.3 -0.779 35.5-110.1-152.9-166.4 10.0 -81.8 -7.0 7 11 A Y E -A 347 0A 0 330,-0.4 332,-3.6 -2,-0.2 340,-0.2 -0.890 35.7 -78.0-141.6 170.1 10.6 -78.1 -7.9 8 12 A H B +e 339 0B 16 338,-2.5 313,-0.4 -2,-0.3 2,-0.3 -0.144 40.2 172.9 -72.5 157.3 11.6 -75.9 -10.8 9 13 A A + 0 0 1 330,-0.9 2,-0.3 333,-0.5 311,-0.1 -0.979 1.7 164.2-157.2 157.1 15.0 -75.2 -12.3 10 14 A N - 0 0 31 -2,-0.3 330,-0.1 2,-0.2 331,-0.1 -0.971 52.9 -85.8-164.2 175.4 16.6 -73.4 -15.2 11 15 A N S S+ 0 0 153 -2,-0.3 16,-0.0 329,-0.1 309,-0.0 0.504 74.7 137.6 -70.0 -2.6 19.8 -72.0 -16.8 12 16 A S - 0 0 23 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.145 34.6-172.8 -51.2 132.9 19.3 -68.8 -14.8 13 17 A T + 0 0 117 12,-0.1 2,-0.2 14,-0.1 -1,-0.1 0.268 35.3 135.3-112.3 7.9 22.5 -67.5 -13.3 14 18 A D - 0 0 62 12,-0.3 12,-2.7 13,-0.1 2,-0.3 -0.395 38.3-160.2 -59.8 125.1 21.0 -64.6 -11.3 15 19 A T E -F 25 0C 31 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.844 10.1-176.0-108.7 148.3 22.5 -64.5 -7.8 16 20 A V E -F 24 0C 0 8,-1.6 8,-3.0 -2,-0.3 2,-0.4 -0.859 18.7-124.6-131.4 170.1 21.1 -62.9 -4.7 17 21 A D - 0 0 41 296,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.930 21.9-179.6-119.7 143.5 22.3 -62.4 -1.1 18 22 A T - 0 0 3 3,-2.6 409,-0.2 -2,-0.4 408,-0.1 -0.604 44.0 -98.2-120.8-172.6 20.7 -63.3 2.2 19 23 A V S S+ 0 0 9 407,-0.6 856,-0.3 -2,-0.2 857,-0.1 0.864 120.6 34.7 -77.0 -36.5 21.7 -62.8 5.8 20 24 A L S S+ 0 0 28 1,-0.2 2,-0.3 851,-0.1 851,-0.2 0.800 125.9 25.5 -88.1 -32.1 23.1 -66.4 6.2 21 25 A E - 0 0 78 850,-0.1 -3,-2.6 851,-0.0 3,-0.2 -0.985 64.1-148.9-141.1 144.6 24.5 -67.0 2.7 22 26 A K S S+ 0 0 89 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.703 72.9 25.2-111.1 164.2 25.8 -65.0 -0.2 23 27 A N S S+ 0 0 110 -2,-0.2 2,-0.8 1,-0.2 -6,-0.2 0.908 72.2 176.0 51.5 50.6 25.8 -65.5 -4.0 24 28 A V E -F 16 0C 2 -8,-3.0 -8,-1.6 -3,-0.2 2,-0.2 -0.770 25.1-137.5 -90.6 108.2 22.8 -67.7 -3.9 25 29 A T E -F 15 0C 53 -2,-0.8 295,-2.5 -10,-0.2 2,-0.3 -0.449 28.5-174.7 -66.5 127.9 21.7 -68.7 -7.5 26 30 A V B -G 319 0D 0 -12,-2.7 -12,-0.3 293,-0.3 293,-0.2 -0.815 34.1-126.7-124.8 166.1 18.0 -68.4 -7.9 27 31 A T S S+ 0 0 3 291,-2.5 2,-0.3 -2,-0.3 -13,-0.1 0.866 92.7 12.0 -78.7 -39.2 15.5 -69.2 -10.7 28 32 A H + 0 0 74 290,-0.3 289,-2.5 -16,-0.1 288,-2.1 -0.994 66.9 157.9-143.2 146.6 13.7 -65.9 -10.8 29 33 A S E -H 315 0E 19 -2,-0.3 2,-0.4 286,-0.3 286,-0.2 -0.976 27.6-132.5-164.2 152.9 14.5 -62.4 -9.3 30 34 A V E -H 314 0E 54 284,-2.2 284,-2.1 -2,-0.3 2,-0.6 -0.929 18.7-130.9-116.2 139.0 13.7 -58.8 -9.8 31 35 A N E +H 313 0E 55 -2,-0.4 282,-0.2 282,-0.2 -2,-0.0 -0.783 21.9 178.7 -89.8 119.6 16.2 -55.9 -9.9 32 36 A L + 0 0 6 280,-2.6 260,-1.4 -2,-0.6 2,-0.6 0.552 57.3 85.4 -94.0 -9.8 15.1 -53.0 -7.7 33 37 A L E -i 292 0F 3 279,-0.5 2,-0.5 258,-0.1 260,-0.2 -0.845 62.5-154.7-107.1 113.7 18.2 -50.8 -8.4 34 38 A E E +i 293 0F 31 258,-3.0 260,-1.5 -2,-0.6 261,-0.4 -0.729 26.5 157.5 -84.6 123.0 18.2 -48.4 -11.4 35 39 A D + 0 0 98 -2,-0.5 2,-0.5 258,-0.2 -1,-0.1 0.235 43.7 92.4-130.4 11.0 21.8 -47.7 -12.4 36 40 A S + 0 0 74 251,-0.0 251,-0.2 2,-0.0 2,-0.1 -0.938 48.0 172.3-114.9 125.7 21.4 -46.7 -16.1 37 41 A H - 0 0 87 -2,-0.5 249,-0.2 249,-0.1 247,-0.1 -0.311 39.0-108.1-115.1-158.5 21.0 -43.1 -17.2 38 42 A N - 0 0 61 247,-0.6 246,-0.2 2,-0.2 3,-0.1 0.671 29.1-137.5-110.2 -24.9 20.8 -41.1 -20.4 39 44 A G S S+ 0 0 32 1,-0.2 2,-0.3 246,-0.2 245,-0.2 0.423 77.2 90.3 75.4 -1.1 24.1 -39.1 -20.5 40 45 A K S S- 0 0 63 230,-0.2 245,-0.7 245,-0.1 2,-0.6 -0.931 77.6-124.5-131.2 149.2 21.9 -36.2 -21.6 41 46 A L B -k 272 0G 0 230,-3.1 232,-2.3 -2,-0.3 2,-0.2 -0.830 43.2-173.9 -90.0 124.0 20.0 -33.3 -20.1 42 47 A b - 0 0 0 -2,-0.6 234,-0.2 230,-0.2 232,-0.1 -0.583 25.2 -88.4-118.3 172.9 16.4 -33.5 -21.4 43 48 A K - 0 0 59 232,-2.6 2,-0.3 230,-0.3 234,-0.3 -0.159 30.4-146.3 -67.6 170.7 13.1 -31.6 -21.4 44 49 A L B > S-L 47 0H 21 3,-1.8 3,-1.1 232,-0.2 234,-0.1 -0.910 82.8 -5.3-145.7 116.1 10.5 -32.1 -18.7 45 49AA K T 3 S- 0 0 202 232,-0.5 3,-0.1 -2,-0.3 233,-0.1 0.819 131.4 -60.8 64.6 30.5 6.8 -31.8 -19.6 46 50 A G T 3 S+ 0 0 43 1,-0.2 2,-0.5 231,-0.2 -1,-0.2 0.436 112.8 119.5 80.3 -0.2 8.0 -30.8 -23.1 47 51 A I B < -L 44 0H 78 -3,-1.1 -3,-1.8 -5,-0.0 -1,-0.2 -0.870 59.7-131.6-105.0 127.3 9.8 -27.8 -21.8 48 52 A A - 0 0 42 -2,-0.5 29,-1.0 -5,-0.2 30,-0.2 -0.370 23.7-109.4 -75.9 151.9 13.6 -27.5 -22.2 49 53 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.172 33.6-104.1 -70.6 170.8 16.0 -26.5 -19.4 50 54 A L E -m 79 0I 19 28,-2.2 30,-2.7 23,-0.0 2,-0.7 -0.902 27.4-148.5-103.2 118.3 17.8 -23.1 -19.3 51 55 A Q E +m 80 0I 93 -2,-0.6 30,-0.1 1,-0.2 28,-0.1 -0.755 17.1 179.7 -87.2 111.9 21.4 -23.2 -20.2 52 56 A L E > - 0 0 5 28,-2.2 3,-1.1 -2,-0.7 2,-0.3 0.807 20.9-179.7 -79.3 -29.2 23.4 -20.6 -18.3 53 57 A G E 3 -m 81 0I 26 27,-0.5 29,-0.7 1,-0.3 31,-0.2 -0.500 69.0 -3.9 71.5-126.7 26.6 -21.7 -20.0 54 58 A K T 3 S+ 0 0 95 -2,-0.3 33,-2.1 12,-0.2 32,-0.8 0.247 126.4 83.2 -84.2 13.9 29.7 -19.7 -18.9 55 59 A c B < -o 87 0J 2 -3,-1.1 27,-0.3 30,-0.2 2,-0.2 -0.833 64.9-151.3-114.1 154.1 27.3 -17.6 -16.8 56 60 A N > - 0 0 27 31,-1.0 4,-2.5 -2,-0.3 5,-0.2 -0.651 43.3 -85.5-111.7 176.7 25.8 -18.1 -13.4 57 61 A I H > S+ 0 0 0 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.884 127.6 53.2 -47.8 -45.9 22.5 -16.9 -11.9 58 62 A A H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.955 109.9 45.7 -56.8 -55.0 24.0 -13.6 -11.0 59 63 A G H >>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 4,-1.9 0.897 114.9 49.4 -54.5 -43.4 25.4 -12.8 -14.4 60 64 A W H <5S+ 0 0 12 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.913 115.1 41.4 -63.9 -46.0 22.0 -13.8 -16.0 61 65 A L H <5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.851 118.1 44.5 -75.1 -36.5 19.9 -11.7 -13.7 62 66 A L H <5S- 0 0 0 -4,-2.7 85,-1.7 -5,-0.3 86,-0.3 0.853 112.2-115.9 -75.7 -34.3 22.0 -8.6 -13.6 63 67 A G T <5 - 0 0 4 -4,-1.9 83,-1.7 -5,-0.4 -3,-0.2 0.794 34.8-165.0 98.2 38.5 22.6 -8.7 -17.4 64 68 A N > < - 0 0 5 -5,-2.4 3,-2.9 81,-0.2 -1,-0.1 -0.365 27.3-121.8 -54.5 130.3 26.4 -9.3 -17.5 65 69 A P G > S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.738 110.8 59.4 -49.8 -32.3 27.6 -8.5 -21.1 66 70 A E G 3 S+ 0 0 102 1,-0.2 3,-0.3 22,-0.1 -12,-0.2 0.563 99.1 61.2 -74.5 -7.6 29.0 -12.1 -21.5 67 71 A c G X + 0 0 8 -3,-2.9 3,-1.3 -8,-0.2 -1,-0.2 -0.105 61.6 126.6-111.0 34.1 25.5 -13.5 -20.9 68 72 A D G X + 0 0 41 -3,-0.8 3,-1.4 1,-0.3 4,-0.2 0.737 62.0 68.2 -69.3 -23.7 23.6 -11.9 -23.8 69 73 A L G > S+ 0 0 161 1,-0.3 3,-0.8 -3,-0.3 -1,-0.3 0.755 93.8 60.0 -64.1 -24.0 22.2 -15.2 -25.1 70 74 A L G X S+ 0 0 13 -3,-1.3 3,-1.1 1,-0.2 -1,-0.3 0.518 76.3 91.6 -84.7 -5.4 20.0 -15.4 -22.0 71 75 A L G < S+ 0 0 70 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.702 87.9 50.5 -62.2 -17.8 18.3 -12.2 -22.8 72 76 A T G < S+ 0 0 122 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.624 81.3 118.2 -94.9 -18.2 15.7 -14.2 -24.7 73 77 A A < + 0 0 21 -3,-1.1 3,-0.1 -4,-0.2 -23,-0.0 -0.261 20.8 146.6 -53.7 131.3 15.0 -16.7 -21.9 74 78 A S + 0 0 62 1,-0.4 37,-2.2 38,-0.1 2,-0.3 0.524 62.2 25.6-136.8 -36.2 11.4 -16.6 -20.7 75 79 A S B +P 110 0K 70 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.999 59.8 167.0-141.9 141.9 10.5 -20.2 -19.6 76 80 A W - 0 0 5 33,-2.4 3,-0.1 -2,-0.3 -28,-0.1 -0.982 35.3-143.8-150.0 156.1 12.4 -23.2 -18.4 77 81 A S S S- 0 0 15 -29,-1.0 2,-0.3 1,-0.4 187,-0.2 0.811 90.6 -13.2 -88.0 -37.5 11.8 -26.6 -16.8 78 82 A Y S S- 0 0 0 185,-0.2 -28,-2.2 -30,-0.2 -1,-0.4 -0.954 71.3-111.5-164.8 150.3 15.0 -26.4 -14.7 79 83 A I E -mn 50 265I 0 185,-2.4 187,-2.5 -2,-0.3 2,-0.5 -0.692 25.9-158.4 -95.4 134.8 18.1 -24.2 -14.6 80 84 A V E -mn 51 266I 0 -30,-2.7 -28,-2.2 -2,-0.4 -27,-0.5 -0.932 8.7-175.3-120.4 116.0 21.6 -25.5 -15.4 81 85 A E E -mn 53 267I 19 185,-2.5 187,-2.4 -2,-0.5 2,-0.2 -0.713 16.1-151.6 -95.1 155.8 24.9 -24.1 -14.4 82 86 A T > - 0 0 27 -29,-0.7 3,-0.9 -27,-0.3 187,-0.1 -0.489 33.9 -93.5-115.9-172.4 28.2 -25.6 -15.7 83 87 A S T 3 S+ 0 0 74 1,-0.2 -29,-0.1 -2,-0.2 186,-0.1 0.624 125.5 49.7 -76.3 -12.5 31.8 -25.9 -14.5 84 88 A N T 3 + 0 0 102 -31,-0.2 2,-2.5 -29,-0.1 3,-0.3 0.182 68.3 125.6-114.2 13.5 32.5 -22.7 -16.4 85 89 A S < + 0 0 17 -3,-0.9 -30,-0.2 1,-0.2 -31,-0.2 -0.495 29.0 128.8 -71.4 76.7 29.7 -20.6 -15.0 86 90 A E + 0 0 155 -2,-2.5 2,-1.1 -32,-0.8 -1,-0.2 0.420 37.8 94.8-112.3 -3.4 32.2 -17.9 -13.9 87 91 A N B +o 55 0J 39 -33,-2.1 -31,-1.0 -3,-0.3 -23,-0.1 -0.716 52.0 100.3 -96.9 89.5 30.6 -14.8 -15.5 88 92 A G S S+ 0 0 3 -2,-1.1 2,-1.0 1,-0.2 3,-0.1 0.349 76.0 28.0-124.8 -96.4 28.3 -13.2 -12.9 89 93 A T + 0 0 44 1,-0.2 -1,-0.2 4,-0.1 4,-0.1 -0.644 59.7 174.3 -77.2 102.8 29.4 -10.2 -10.9 90 94 A d S S+ 0 0 5 -2,-1.0 -1,-0.2 1,-0.1 47,-0.1 0.718 70.0 59.2 -86.3 -23.9 31.8 -8.4 -13.2 91 95 A Y S S- 0 0 8 -3,-0.1 136,-0.2 45,-0.1 -1,-0.1 -0.952 104.7-110.1-101.5 119.2 32.2 -5.3 -11.0 92 96 A P + 0 0 8 0, 0.0 135,-2.0 0, 0.0 2,-0.3 -0.053 66.8 95.7 -54.8 144.8 33.6 -6.7 -7.7 93 97 A G S S- 0 0 24 133,-0.3 2,-0.3 -4,-0.1 135,-0.2 -0.880 70.1 -62.4 156.9 174.3 31.3 -6.6 -4.6 94 98 A D - 0 0 87 -2,-0.3 135,-2.6 609,-0.1 2,-0.9 -0.647 28.4-147.2 -88.4 141.5 28.9 -8.5 -2.5 95 99 A F B > -q 229 0K 24 -2,-0.3 3,-1.1 133,-0.2 4,-0.2 -0.785 30.2-136.1-103.9 86.4 25.6 -9.9 -3.8 96 100 A I T 3 S- 0 0 31 133,-1.0 135,-0.1 -2,-0.9 5,-0.1 -0.107 79.8 -3.1 -50.6 130.4 23.5 -9.6 -0.6 97 101 A D T 3> S+ 0 0 52 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.897 83.4 153.3 53.0 47.9 21.4 -12.6 0.0 98 102 A Y H <> + 0 0 30 -3,-1.1 4,-1.8 2,-0.2 5,-0.1 0.855 68.9 50.7 -74.3 -36.8 22.5 -14.3 -3.2 99 103 A E H > S+ 0 0 21 2,-0.2 4,-1.3 1,-0.2 295,-0.3 0.839 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