==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 05-OCT-12 4HFU . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.XU,I.A.WILSON . 929 5 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 104 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 11.4 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 1 1 1 1 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 4 3 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 . 11 10 12 6 4 9 1 0 2 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 3 6 2 1 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 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 9 A P 0 0 181 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.1 9.0 20.7 154.2 2 10 A G - 0 0 19 348,-0.0 2,-0.4 463,-0.0 461,-0.1 -0.662 360.0-107.5-103.4 165.0 9.5 17.2 153.0 3 11 A D E -A 462 0A 12 459,-0.5 459,-3.6 461,-0.4 2,-0.3 -0.796 43.4-166.2 -94.8 136.3 12.3 15.7 150.8 4 12 A Q E -AB 461 349A 49 345,-2.5 345,-2.6 -2,-0.4 2,-0.3 -0.879 27.6-175.8-129.7 150.2 11.3 14.9 147.2 5 13 A I E -AB 460 348A 0 455,-1.4 455,-1.7 -2,-0.3 2,-0.3 -0.979 22.2-169.8-137.3 135.1 12.3 13.1 144.1 6 14 A a E -AB 459 347A 4 341,-2.4 341,-1.6 -2,-0.3 2,-0.5 -0.858 20.5-133.2-125.5 156.4 10.2 13.4 140.9 7 15 A I E + B 0 346A 2 451,-2.5 2,-0.3 -2,-0.3 339,-0.2 -0.944 38.8 156.4-108.3 128.1 10.0 11.8 137.5 8 16 A G E - B 0 345A 0 337,-2.2 337,-2.1 -2,-0.5 2,-0.3 -0.893 30.3-124.7-144.8 173.3 9.6 14.2 134.5 9 17 A Y E - B 0 344A 0 325,-0.4 327,-2.9 -2,-0.3 335,-0.2 -0.874 34.9 -86.2-126.7 157.0 10.2 14.5 130.8 10 18 A H B +e 336 0B 26 333,-3.4 2,-0.3 -2,-0.3 310,-0.3 -0.116 41.0 179.1 -57.2 149.8 12.1 16.9 128.5 11 19 A A + 0 0 1 325,-1.1 2,-0.2 328,-0.5 328,-0.1 -0.974 3.6 168.0-151.9 143.8 10.5 20.1 127.2 12 20 A N - 0 0 38 -2,-0.3 325,-0.1 2,-0.1 323,-0.1 -0.743 49.1 -90.1-142.1-169.6 11.8 22.9 124.9 13 21 A N S S+ 0 0 156 -2,-0.2 16,-0.1 324,-0.1 2,-0.0 0.271 71.8 136.4 -92.4 10.3 10.9 26.0 122.8 14 22 A S - 0 0 24 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.313 35.6-170.6 -63.0 138.5 10.3 23.9 119.7 15 23 A T + 0 0 104 14,-0.1 2,-0.2 12,-0.1 -1,-0.1 0.188 35.9 137.4-115.6 13.8 7.2 25.0 117.8 16 24 A E - 0 0 74 12,-0.5 12,-2.1 13,-0.1 2,-0.3 -0.419 39.1-152.5 -67.4 131.2 7.1 22.1 115.3 17 25 A K E +F 27 0C 87 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.823 15.3 177.7-106.2 144.9 3.6 20.6 114.7 18 26 A V E -F 26 0C 4 8,-1.9 8,-2.6 -2,-0.3 2,-0.3 -0.948 20.9-129.0-136.8 161.3 2.8 17.0 113.6 19 27 A D - 0 0 47 293,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.849 20.5-170.8-110.7 147.4 -0.5 15.1 113.0 20 28 A T - 0 0 3 3,-2.9 404,-0.2 -2,-0.3 403,-0.2 -0.771 41.0-103.2-124.6 176.2 -1.5 11.8 114.5 21 29 A I S S+ 0 0 89 402,-0.8 403,-0.1 -2,-0.2 3,-0.1 0.675 122.3 30.4 -70.9 -15.3 -4.3 9.3 113.8 22 30 A L S S+ 0 0 133 1,-0.3 2,-0.3 401,-0.2 -1,-0.1 0.802 126.1 23.7-110.3 -48.1 -6.0 10.6 117.0 23 31 A E - 0 0 96 3,-0.0 -3,-2.9 0, 0.0 -1,-0.3 -0.841 65.4-147.4-122.8 157.7 -5.0 14.3 117.5 24 32 A R S S+ 0 0 189 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.857 71.6 25.0-124.4 162.3 -3.9 17.0 115.1 25 33 A N S S+ 0 0 112 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.845 75.6 172.5 55.2 40.9 -1.5 20.0 115.3 26 34 A V E -F 18 0C 5 -8,-2.6 -8,-1.9 -3,-0.2 2,-0.3 -0.685 28.1-133.5 -84.5 125.4 0.5 18.4 118.2 27 35 A T E -F 17 0C 39 -2,-0.5 292,-2.8 -10,-0.2 2,-0.3 -0.608 27.6-174.5 -79.3 132.6 3.6 20.3 119.2 28 36 A V B -G 318 0D 0 -12,-2.1 -12,-0.5 -2,-0.3 290,-0.2 -0.835 35.3-123.1-125.4 162.5 6.7 18.1 119.6 29 37 A T S S+ 0 0 9 288,-2.0 2,-0.3 -2,-0.3 289,-0.1 0.836 95.4 1.3 -73.3 -32.9 10.3 18.7 120.9 30 38 A H + 0 0 106 287,-0.3 286,-2.2 -16,-0.1 285,-1.8 -0.992 66.1 175.1-155.7 150.9 11.8 17.4 117.6 31 39 A A E -H 314 0E 8 -2,-0.3 2,-0.4 283,-0.2 283,-0.2 -0.953 19.5-137.3-150.8 164.5 10.6 16.1 114.3 32 40 A K E -H 313 0E 87 281,-2.6 281,-3.0 -2,-0.3 2,-0.6 -0.991 13.9-140.5-134.0 128.3 11.9 14.9 110.9 33 41 A D E -H 312 0E 42 -2,-0.4 279,-0.2 279,-0.2 -2,-0.0 -0.753 13.2-174.5 -87.9 122.7 10.4 15.7 107.5 34 42 A I + 0 0 1 277,-2.6 257,-1.2 -2,-0.6 2,-0.5 0.211 57.5 96.1-100.3 14.1 10.5 12.8 105.1 35 43 A L E -i 291 0F 5 276,-0.4 2,-0.7 255,-0.1 257,-0.3 -0.922 68.5-141.3-110.0 121.8 9.2 14.8 102.2 36 44 A E E +i 292 0F 26 255,-3.3 257,-1.7 -2,-0.5 258,-0.5 -0.715 30.9 162.9 -82.4 113.4 11.6 16.3 99.6 37 45 A K + 0 0 82 -2,-0.7 2,-0.3 255,-0.2 -1,-0.2 0.399 29.6 123.2-111.4 0.2 10.2 19.7 98.7 38 46 A T + 0 0 76 1,-0.1 2,-0.4 2,-0.0 256,-0.1 -0.493 29.5 174.6 -81.1 125.5 13.3 21.2 97.2 39 47 A H + 0 0 112 -2,-0.3 244,-0.1 1,-0.1 246,-0.1 -0.827 3.4 176.3-123.2 92.0 13.4 22.6 93.6 40 48 A N - 0 0 79 244,-0.7 243,-0.2 -2,-0.4 3,-0.1 0.568 39.6-127.1 -76.8 -10.0 16.8 24.3 93.2 41 49 A G + 0 0 38 241,-1.5 242,-0.2 1,-0.3 -1,-0.1 0.296 65.8 131.3 83.1 -10.9 16.3 25.2 89.5 42 50 A K - 0 0 89 240,-0.1 2,-0.5 242,-0.1 -1,-0.3 -0.408 47.6-153.2 -74.6 149.0 19.6 23.4 88.6 43 51 A L + 0 0 2 227,-0.3 229,-2.2 -3,-0.1 231,-0.1 -0.929 26.8 174.8-121.6 106.4 19.9 21.0 85.7 44 52 A b - 0 0 4 -2,-0.5 2,-0.2 227,-0.2 231,-0.2 -0.138 35.1 -85.6 -95.7-172.4 22.8 18.6 86.4 45 53 A K E -k 275 0G 53 229,-2.7 231,-1.9 5,-0.1 2,-0.6 -0.615 43.5-116.3 -90.6 164.2 24.2 15.5 84.8 46 53AA L E > S-kL 276 49G 11 3,-2.4 3,-1.4 -2,-0.2 231,-0.2 -0.891 78.6 -27.5-114.0 110.4 22.7 12.1 85.5 47 54 A N T 3 S- 0 0 73 229,-1.4 -1,-0.2 -2,-0.6 230,-0.1 0.808 128.5 -43.9 56.7 33.9 24.9 9.5 87.3 48 55 A G T 3 S+ 0 0 51 228,-0.2 -1,-0.3 1,-0.2 229,-0.0 0.132 120.7 95.7 105.8 -19.0 28.1 10.9 85.8 49 56 A I B < -L 46 0G 51 -3,-1.4 -3,-2.4 29,-0.0 -1,-0.2 -0.907 68.1-126.6-116.0 132.1 27.0 11.6 82.2 50 57 A P - 0 0 45 0, 0.0 29,-1.8 0, 0.0 2,-0.2 -0.207 26.6-108.2 -70.3 159.6 25.6 14.9 80.8 51 58 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.602 29.0-110.1 -86.2 151.1 22.3 15.3 78.9 52 59 A L E -m 81 0H 1 28,-2.7 30,-2.5 -2,-0.2 2,-0.8 -0.712 33.0-153.2 -77.7 119.2 22.1 16.0 75.2 53 60 A E E +m 82 0H 84 -2,-0.6 30,-0.2 28,-0.2 20,-0.1 -0.819 26.2 165.8-104.4 102.6 20.9 19.6 74.9 54 61 A L > - 0 0 16 28,-1.9 3,-1.7 -2,-0.8 2,-0.4 0.735 19.0-175.5 -85.0 -25.9 19.0 20.2 71.6 55 62 A G T 3 S- 0 0 37 27,-0.9 29,-0.4 1,-0.3 -1,-0.2 -0.505 71.7 -6.4 68.5-119.3 17.4 23.5 72.6 56 63 A D T 3 S+ 0 0 79 -2,-0.4 32,-1.3 27,-0.1 -1,-0.3 0.702 120.4 90.9 -80.9 -20.7 15.1 24.8 69.9 57 64 A c < - 0 0 14 -3,-1.7 2,-0.3 30,-0.2 27,-0.2 -0.136 67.5-139.1 -71.3 168.2 16.0 21.9 67.6 58 65 A S > - 0 0 15 30,-0.2 4,-3.0 25,-0.1 5,-0.2 -0.899 25.7-107.3-129.0 160.9 14.3 18.5 67.4 59 66 A I H > S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.854 120.8 49.6 -54.3 -39.1 15.5 14.9 67.1 60 67 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.957 114.6 42.6 -64.1 -51.6 14.2 14.9 63.5 61 68 A G H >>S+ 0 0 0 1,-0.2 5,-3.1 2,-0.2 4,-1.5 0.837 114.0 54.0 -64.1 -33.8 15.9 18.1 62.5 62 69 A W H <5S+ 0 0 3 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.925 114.0 37.7 -68.0 -48.2 19.1 17.1 64.4 63 70 A L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.917 118.6 47.4 -71.8 -46.2 19.6 13.7 62.7 64 71 A L H <5S- 0 0 0 -4,-2.3 82,-1.9 -5,-0.3 83,-0.2 0.825 114.3-111.6 -66.5 -32.5 18.5 14.8 59.2 65 72 A G T <5 - 0 0 0 -4,-1.5 80,-2.3 -5,-0.3 -3,-0.2 0.848 35.3-162.5 95.9 49.7 20.6 17.9 59.2 66 73 A N > < - 0 0 6 -5,-3.1 3,-2.2 78,-0.2 -1,-0.1 -0.517 19.0-136.0 -62.4 123.2 18.0 20.7 59.3 67 74 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 68,-0.1 0.662 103.7 62.0 -56.5 -18.3 19.8 23.9 58.3 68 75 A E T 3 S+ 0 0 135 20,-0.1 2,-0.4 69,-0.1 -2,-0.1 0.273 94.1 80.4 -91.6 10.3 18.0 25.7 61.1 69 76 A c S < S- 0 0 9 -3,-2.2 2,-0.6 -8,-0.2 -15,-0.0 -0.969 73.2-137.6-126.2 130.0 19.8 23.5 63.7 70 77 A D - 0 0 125 -2,-0.4 3,-0.4 -16,-0.2 -13,-0.1 -0.760 4.4-161.7 -91.5 121.1 23.3 23.8 65.1 71 78 A R > + 0 0 48 -2,-0.6 2,-1.4 1,-0.2 3,-0.6 0.796 51.3 126.7 -65.9 -28.9 25.3 20.6 65.4 72 79 A L T 3 + 0 0 143 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.347 62.7 60.8 -6.6 -33.6 27.7 22.3 67.8 73 80 A L T 3 + 0 0 45 -2,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 0.983 57.9 165.9 -67.2 -83.8 27.2 19.6 70.5 74 81 A S < + 0 0 67 -3,-0.6 -2,-0.1 1,-0.2 -3,-0.0 0.972 17.2 177.9 59.1 61.3 28.3 16.2 69.0 75 81AA V - 0 0 50 1,-0.1 -1,-0.2 36,-0.0 3,-0.1 -0.811 28.8-148.2 -96.9 132.3 28.5 14.2 72.3 76 82 A P S S+ 0 0 71 0, 0.0 36,-1.6 0, 0.0 2,-0.3 0.638 82.2 19.2 -72.7 -13.9 29.4 10.5 72.0 77 83 A E + 0 0 64 34,-0.2 2,-0.3 -26,-0.0 33,-0.2 -0.992 64.0 174.0-157.1 145.4 27.3 9.7 75.1 78 84 A W B -O 109 0I 3 31,-1.3 31,-1.4 -2,-0.3 3,-0.1 -0.992 26.5-147.2-154.4 160.8 24.4 11.1 77.1 79 85 A S S S- 0 0 16 -29,-1.8 2,-0.2 -2,-0.3 184,-0.2 0.902 80.7 -9.0 -94.4 -54.5 22.0 10.3 80.0 80 86 A Y - 0 0 0 -31,-0.1 -28,-2.7 182,-0.1 2,-0.4 -0.756 68.1-112.7-132.0-176.7 18.8 12.2 79.0 81 87 A I E -mn 52 264H 1 182,-1.6 184,-3.2 -2,-0.2 2,-0.4 -0.987 23.4-162.0-125.4 128.7 17.7 14.7 76.4 82 88 A M E +mn 53 265H 10 -30,-2.5 -28,-1.9 -2,-0.4 -27,-0.9 -0.880 18.3 155.8-112.3 142.7 16.6 18.3 77.2 83 89 A E E - n 0 266H 35 182,-2.9 185,-1.5 -2,-0.4 184,-1.4 -0.388 30.2-112.2-134.4-149.6 14.6 20.6 74.9 84 90 A K - 0 0 53 -29,-0.4 2,-0.2 -27,-0.2 -30,-0.0 -0.897 46.2 -69.5-148.1 169.1 12.3 23.6 74.9 85 91 A E S S+ 0 0 142 -2,-0.3 182,-0.0 2,-0.0 0, 0.0 -0.505 101.0 8.7 -65.4 134.8 8.6 24.4 74.2 86 92 A N S S- 0 0 104 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.710 77.5-111.0 68.9 129.8 7.8 24.1 70.5 87 93 A P 0 0 87 0, 0.0 -30,-0.2 0, 0.0 -31,-0.1 -0.741 360.0 360.0 -88.1 143.2 10.0 22.7 67.6 88 94 A R 0 0 101 -32,-1.3 -30,-0.2 -2,-0.3 3,-0.1 -0.778 360.0 360.0-166.0 360.0 11.3 25.0 64.9 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 96 A L 0 0 71 0, 0.0 4,-0.1 0, 0.0 -29,-0.0 0.000 360.0 360.0 360.0 143.8 11.2 20.5 59.6 91 97 A d + 0 0 4 1,-0.2 -25,-0.0 -3,-0.1 -30,-0.0 0.926 360.0 47.5 -69.8 -46.9 12.2 22.8 56.8 92 98 A Y S S- 0 0 1 134,-0.0 -1,-0.2 1,-0.0 134,-0.2 -0.889 102.0-118.6 -96.1 116.0 10.8 20.6 54.1 93 99 A P + 0 0 8 0, 0.0 133,-1.7 0, 0.0 2,-0.3 -0.041 62.6 92.2 -55.9 152.7 7.3 19.6 55.2 94 100 A G E -p 226 0J 41 131,-0.3 2,-0.3 -4,-0.1 133,-0.2 -0.992 62.6 -76.9 159.0-154.7 6.4 15.9 55.7 95 101 A S E -p 227 0J 54 131,-0.7 133,-2.7 -2,-0.3 2,-0.5 -0.915 19.6-134.9-140.9 164.6 6.3 13.2 58.3 96 102 A F E > -p 228 0J 27 -2,-0.3 3,-1.1 131,-0.2 2,-0.2 -0.980 25.1-132.5-126.2 117.8 8.5 10.8 60.2 97 103 A N T 3 S- 0 0 49 131,-3.2 133,-0.2 -2,-0.5 5,-0.1 -0.512 87.3 -1.8 -74.9 134.2 7.5 7.2 60.6 98 104 A D T 3> S+ 0 0 120 -2,-0.2 4,-1.5 131,-0.1 -1,-0.3 0.854 83.2 159.7 53.6 40.4 7.7 5.7 64.1 99 105 A Y H <> + 0 0 50 -3,-1.1 4,-1.9 1,-0.2 5,-0.1 0.861 67.0 51.4 -59.7 -39.9 9.1 9.0 65.3 100 106 A E H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 106.2 53.4 -67.7 -44.3 8.2 8.4 68.9 101 107 A E H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 109.9 50.7 -55.2 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