==== 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 17-AUG-01 1JSD . COMPND 2 MOLECULE: HAEMAGGLUTININ (HA1 CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/SWINE/HONG . AUTHOR Y.HA,D.J.STEVEN,J.J.SKEHEL,D.C.WILEY . 477 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 19.5 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 . 8 1.7 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 . 33 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 19.7 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 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 4 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 0 PARALLEL BRIDGES PER LADDER . 5 5 5 2 0 4 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 3 1 1 0 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 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 1 A D 0 0 41 0, 0.0 457,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.2 36.0 36.4 59.7 2 2 A K E -AB 345 457A 61 343,-2.2 343,-2.6 455,-0.2 2,-0.4 -0.994 360.0-149.1-156.0 158.8 37.6 35.7 56.4 3 3 A I E -AB 344 456A 0 453,-1.8 453,-2.6 -2,-0.3 2,-0.3 -0.997 19.7-163.7-133.2 136.2 38.3 37.2 53.0 4 4 A a E -AB 343 455A 3 339,-3.4 339,-1.9 -2,-0.4 2,-0.4 -0.885 14.5-137.2-122.8 153.4 38.5 35.2 49.8 5 5 A I E +A 342 0A 1 449,-2.6 2,-0.3 -2,-0.3 337,-0.2 -0.886 37.3 153.9-107.5 137.2 39.9 35.7 46.3 6 6 A G E -A 341 0A 0 335,-2.2 335,-2.2 -2,-0.4 2,-0.3 -0.878 30.4-128.6-150.0-176.6 37.9 34.5 43.3 7 7 A Y E -A 340 0A 0 323,-0.4 325,-2.8 -2,-0.3 333,-0.2 -0.955 34.3 -84.8-141.6 159.8 37.0 35.0 39.7 8 8 A Q B -e 332 0B 16 331,-2.4 2,-0.3 -2,-0.3 306,-0.3 -0.309 31.2-174.9 -71.9 142.6 34.0 35.4 37.5 9 9 A S + 0 0 11 323,-1.8 2,-0.3 304,-0.1 326,-0.2 -0.959 12.3 176.1-129.3 144.9 31.7 32.7 36.1 10 10 A T - 0 0 40 -2,-0.3 321,-0.1 2,-0.1 324,-0.1 -0.855 45.3-103.8-141.6 177.7 28.8 33.4 33.7 11 11 A N + 0 0 163 -2,-0.3 16,-0.0 322,-0.1 302,-0.0 0.157 69.2 140.3 -91.4 18.0 26.2 31.7 31.7 12 12 A S - 0 0 34 1,-0.1 -2,-0.1 15,-0.0 16,-0.1 -0.329 40.7-162.7 -58.6 141.4 28.2 32.3 28.5 13 13 A T + 0 0 128 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.273 48.2 127.5-108.8 7.9 28.1 29.3 26.2 14 14 A E - 0 0 68 12,-0.3 12,-2.2 13,-0.1 2,-0.3 -0.343 35.4-177.9 -65.5 143.4 31.2 30.5 24.3 15 15 A T E -F 25 0C 50 10,-0.3 2,-0.3 297,-0.1 291,-0.1 -0.970 7.8-167.6-140.9 154.0 34.1 28.1 23.9 16 16 A V E -F 24 0C 2 8,-2.1 8,-3.2 -2,-0.3 2,-0.3 -0.903 16.6-125.1-136.4 166.1 37.5 28.4 22.3 17 17 A D + 0 0 68 289,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.812 21.2 179.3-114.0 154.8 40.2 26.0 21.3 18 18 A T - 0 0 7 3,-2.9 3,-0.3 -2,-0.3 402,-0.2 -0.738 46.4 -98.0-135.0-176.3 43.9 25.8 22.2 19 19 A L S S+ 0 0 122 400,-0.4 3,-0.1 -2,-0.2 401,-0.1 0.809 122.9 41.4 -79.3 -27.7 46.6 23.3 21.2 20 20 A T S S+ 0 0 114 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.325 125.8 19.1-101.2 7.7 46.2 21.3 24.4 21 21 A E - 0 0 75 -3,-0.3 -3,-2.9 3,-0.0 2,-0.3 -0.903 63.3-146.9-173.3 142.2 42.4 21.4 24.7 22 22 A T S S+ 0 0 89 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.876 76.5 20.1-119.3 152.8 39.3 22.0 22.6 23 23 A N S S+ 0 0 105 -2,-0.3 -6,-0.2 1,-0.2 -1,-0.2 0.901 73.8 179.9 60.0 44.7 35.9 23.5 23.4 24 24 A V E -F 16 0C 0 -8,-3.2 -8,-2.1 -3,-0.2 2,-0.2 -0.651 28.3-124.3 -76.4 123.9 37.3 25.3 26.4 25 25 A P E -F 15 0C 53 0, 0.0 288,-2.3 0, 0.0 2,-0.3 -0.522 35.3-176.8 -71.3 135.1 34.4 27.3 28.0 26 26 A V B -G 312 0D 0 -12,-2.2 -12,-0.3 286,-0.3 286,-0.2 -0.942 35.0-132.3-133.2 155.7 35.1 31.0 28.4 27 27 A T S S+ 0 0 6 284,-2.3 2,-0.3 -2,-0.3 -13,-0.1 0.848 94.0 12.6 -72.7 -35.1 33.3 34.0 29.9 28 28 A H + 0 0 77 283,-0.3 282,-2.5 -16,-0.1 281,-2.4 -0.999 67.7 166.6-146.0 141.9 34.0 36.2 26.9 29 29 A A E -H 308 0E 28 -2,-0.3 2,-0.4 279,-0.2 279,-0.2 -0.956 23.1-137.2-148.9 163.6 35.2 35.6 23.3 30 30 A K E -H 307 0E 76 277,-2.7 277,-2.9 -2,-0.3 2,-0.5 -0.979 13.7-138.1-132.2 123.0 35.4 37.4 19.9 31 31 A E E -H 306 0E 57 -2,-0.4 275,-0.2 275,-0.2 -2,-0.0 -0.652 17.4-174.8 -76.4 123.3 34.7 35.8 16.6 32 32 A L + 0 0 0 273,-2.5 253,-1.8 -2,-0.5 2,-0.5 0.498 57.3 86.9 -96.8 -5.6 37.4 37.1 14.2 33 33 A L E -i 285 0F 5 272,-0.2 2,-0.5 251,-0.1 253,-0.3 -0.858 63.5-152.0-104.3 124.9 35.9 35.5 11.0 34 34 A H E +i 286 0F 34 251,-2.6 253,-1.6 -2,-0.5 254,-0.3 -0.797 20.4 169.6 -90.8 128.9 33.3 37.3 8.9 35 35 A T + 0 0 70 -2,-0.5 2,-0.3 251,-0.2 -1,-0.1 0.405 41.7 90.9-122.5 2.3 31.0 34.8 7.2 36 36 A S + 0 0 73 2,-0.0 2,-0.3 3,-0.0 252,-0.1 -0.717 41.0 173.0-105.4 153.4 28.1 36.8 5.7 37 37 A H - 0 0 63 -2,-0.3 242,-0.2 242,-0.1 236,-0.1 -0.950 38.7-117.9-147.5 162.4 27.6 38.4 2.3 38 38 A N - 0 0 60 240,-2.3 239,-0.1 -2,-0.3 241,-0.1 0.371 40.2-126.2 -87.5 4.4 24.7 40.2 0.5 39 39 A G S S+ 0 0 25 239,-0.2 225,-0.3 1,-0.2 2,-0.3 0.734 73.7 104.1 58.7 25.1 24.4 37.7 -2.4 40 40 A M S S- 0 0 60 238,-0.1 2,-0.7 223,-0.1 238,-0.4 -0.914 74.2-119.7-135.2 162.2 24.7 40.6 -4.9 41 41 A L E +k 265 0G 2 223,-2.1 225,-2.3 -2,-0.3 2,-0.2 -0.908 49.1 167.3 -99.5 116.2 27.1 42.2 -7.3 42 42 A b E - 0 0 0 -2,-0.7 227,-0.2 223,-0.2 2,-0.2 -0.597 38.5 -84.4-121.5-176.8 27.5 45.8 -6.2 43 43 A A E -k 269 0G 3 225,-2.5 227,-2.7 -2,-0.2 5,-0.2 -0.534 40.0-155.9 -86.0 157.5 29.7 48.8 -6.8 44 44 A T B > -L 47 0H 6 3,-2.2 3,-2.0 225,-0.2 227,-0.1 -0.499 45.9 -74.9-117.7-169.3 33.0 49.1 -4.9 45 45 A N T 3 S+ 0 0 150 226,-0.3 3,-0.1 1,-0.3 226,-0.1 0.673 133.7 57.1 -64.8 -14.3 35.1 52.1 -4.0 46 46 A L T 3 S- 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.405 116.6-108.8 -95.9 0.8 36.1 52.1 -7.6 47 47 A G B < -L 44 0H 26 -3,-2.0 -3,-2.2 30,-0.1 -1,-0.3 -0.644 54.9 -18.7 111.6-167.2 32.6 52.3 -8.9 48 48 A H - 0 0 115 -5,-0.2 29,-1.0 -2,-0.2 30,-0.2 -0.510 63.3-113.1 -84.1 148.1 30.0 50.1 -10.7 49 49 A P - 0 0 21 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.376 22.9-115.9 -78.1 157.6 30.9 47.0 -12.7 50 50 A L E -m 79 0I 6 28,-2.8 30,-2.9 -2,-0.1 2,-0.7 -0.857 34.2-158.4 -91.8 112.2 30.5 46.6 -16.4 51 51 A I E -m 80 0I 49 -2,-0.8 2,-0.8 28,-0.2 30,-0.2 -0.858 7.0-164.9-101.1 114.2 27.9 43.9 -16.7 52 52 A L E +m 81 0I 3 28,-3.4 30,-2.7 -2,-0.7 33,-0.3 -0.834 19.3 162.3 -99.6 102.1 27.9 42.1 -20.0 53 53 A D S S+ 0 0 86 -2,-0.8 -1,-0.2 28,-0.2 33,-0.1 0.736 80.2 13.3 -92.7 -23.4 24.6 40.1 -20.4 54 54 A T S S+ 0 0 69 31,-0.2 33,-2.5 1,-0.2 32,-1.1 0.599 119.1 60.7-124.2 -20.2 24.6 39.5 -24.2 55 55 A c B -o 87 0J 2 30,-0.2 33,-0.2 31,-0.2 27,-0.2 -0.888 67.2-138.3-117.6 142.9 28.1 40.3 -25.4 56 56 A T > - 0 0 17 31,-2.0 4,-2.1 -2,-0.4 5,-0.2 -0.463 36.4-100.7 -88.4 166.1 31.5 38.9 -24.5 57 57 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.916 124.9 45.9 -54.2 -46.4 34.6 41.0 -24.0 58 58 A E H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 107.5 58.2 -68.1 -29.8 36.0 40.2 -27.4 59 59 A G H >>S+ 0 0 0 28,-0.2 5,-3.1 2,-0.2 4,-0.7 0.908 110.5 44.2 -63.4 -39.2 32.5 40.9 -28.9 60 60 A L H <5S+ 0 0 10 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.936 113.3 50.3 -68.2 -48.9 32.7 44.4 -27.4 61 61 A I H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.928 117.3 38.2 -57.4 -49.4 36.3 45.0 -28.5 62 62 A Y H <5S- 0 0 0 -4,-2.7 78,-1.5 -5,-0.1 79,-0.3 0.574 114.0-117.5 -79.9 -9.4 35.8 43.9 -32.1 63 63 A G T <5 - 0 0 3 -4,-0.7 76,-1.8 -3,-0.4 -3,-0.2 0.925 27.3-155.1 75.7 45.9 32.4 45.6 -32.2 64 64 A N > < - 0 0 3 -5,-3.1 3,-2.7 74,-0.2 -1,-0.1 -0.295 26.3-119.5 -49.2 132.2 30.0 42.7 -32.9 65 65 A P T 3 S+ 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.607 112.3 61.8 -56.0 -10.6 27.0 44.3 -34.5 66 66 A S T 3 S+ 0 0 53 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.414 94.3 64.3 -94.5 2.0 24.8 43.1 -31.7 67 67 A c X + 0 0 8 -3,-2.7 3,-2.3 -8,-0.2 4,-0.3 0.012 56.8 128.2-113.7 29.0 26.8 45.1 -29.1 68 68 A D G > + 0 0 70 -3,-0.5 3,-1.8 1,-0.3 4,-0.4 0.783 62.5 71.3 -57.1 -28.8 26.0 48.6 -30.2 69 69 A L G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.2 3,-0.3 0.731 98.8 52.1 -60.1 -18.2 24.9 49.7 -26.7 70 70 A L G X S+ 0 0 20 -3,-2.3 3,-1.4 1,-0.2 -1,-0.3 0.512 81.8 90.1 -96.8 -4.7 28.6 49.5 -25.9 71 71 A L T < S+ 0 0 50 -3,-1.8 42,-0.4 -4,-0.3 -1,-0.2 0.810 76.7 66.8 -60.9 -31.6 30.0 51.7 -28.7 72 72 A G T 3 S- 0 0 77 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.603 109.9-108.5 -68.5 -13.0 29.7 54.8 -26.6 73 73 A G < - 0 0 22 -3,-1.4 2,-0.3 39,-0.1 39,-0.2 0.067 32.9-148.5 98.5 148.9 32.4 53.8 -24.1 74 74 A R E -P 111 0K 109 37,-0.8 37,-1.7 -3,-0.1 2,-0.3 -0.925 6.6-149.1-146.6 167.7 32.2 52.7 -20.5 75 75 A E E +P 110 0K 165 -2,-0.3 2,-0.3 35,-0.2 35,-0.3 -0.977 25.4 173.0-138.7 147.4 34.2 52.8 -17.2 76 76 A W - 0 0 8 33,-2.4 3,-0.1 -2,-0.3 -28,-0.1 -0.969 43.3-141.1-153.5 167.2 34.1 50.1 -14.5 77 77 A S S S- 0 0 0 -29,-1.0 178,-3.2 1,-0.4 179,-0.4 0.749 94.4 -12.0 -96.7 -38.9 35.5 48.7 -11.3 78 78 A Y S S- 0 0 0 -30,-0.2 -28,-2.8 176,-0.2 -1,-0.4 -0.955 70.5-112.9-155.0 167.2 35.2 45.1 -12.5 79 79 A I E -mn 50 258I 0 178,-2.3 180,-3.2 -2,-0.3 2,-0.5 -0.896 17.7-164.4-113.2 138.7 33.7 43.1 -15.3 80 80 A V E -mn 51 259I 0 -30,-2.9 -28,-3.4 -2,-0.4 2,-0.7 -0.986 2.9-164.4-121.3 122.6 30.9 40.6 -15.1 81 81 A E E -m 52 0I 17 178,-3.3 180,-0.3 -2,-0.5 -28,-0.2 -0.928 15.7-146.4-108.9 109.5 30.3 38.2 -18.0 82 82 A R > - 0 0 35 -30,-2.7 3,-1.6 -2,-0.7 180,-0.2 -0.317 22.1-118.5 -70.5 156.7 26.9 36.6 -17.8 83 83 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 179,-0.1 0.707 115.8 63.5 -68.5 -16.2 26.4 33.0 -19.0 84 84 A S T 3 S+ 0 0 68 -32,-0.1 2,-1.1 -29,-0.1 3,-0.1 0.584 73.9 107.1 -81.8 -11.4 23.9 34.5 -21.5 85 85 A A < + 0 0 13 -3,-1.6 -30,-0.2 -33,-0.3 -31,-0.2 -0.578 32.2 142.4 -71.8 101.9 26.7 36.6 -23.1 86 86 A V + 0 0 110 -32,-1.1 2,-1.2 -2,-1.1 -31,-0.2 0.426 32.1 103.7-121.1 -4.1 27.1 34.7 -26.4 87 87 A N B +o 55 0J 48 -33,-2.5 -31,-2.0 -3,-0.1 -28,-0.2 -0.698 45.1 119.9 -86.1 98.3 27.8 37.5 -28.9 88 88 A G S S- 0 0 11 -2,-1.2 2,-1.2 -33,-0.2 3,-0.1 0.326 76.2 -0.7-120.2-108.8 31.5 37.3 -29.5 89 89 A M - 0 0 33 1,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.763 63.7-175.7 -92.9 94.8 33.1 36.7 -32.9 90 90 A d + 0 0 16 -2,-1.2 -1,-0.2 2,-0.1 44,-0.1 0.882 68.5 65.2 -57.8 -44.6 30.0 36.3 -35.1 91 91 A Y S S- 0 0 15 -3,-0.1 129,-0.1 1,-0.1 123,-0.1 -0.730 107.6 -95.6 -84.7 128.1 32.0 35.5 -38.3 92 92 A P S S+ 0 0 3 0, 0.0 128,-1.9 0, 0.0 2,-0.2 -0.079 80.3 87.7 -43.4 128.2 33.8 32.1 -37.8 93 93 A G - 0 0 16 126,-0.2 2,-0.3 -4,-0.2 128,-0.2 -0.784 64.3-101.5 154.0 162.3 37.4 32.5 -36.7 94 94 A N - 0 0 138 -2,-0.2 128,-2.4 126,-0.1 2,-0.6 -0.840 23.0-122.0-117.1 153.4 39.6 32.8 -33.6 95 95 A V B > -q 222 0K 15 -2,-0.3 3,-1.0 126,-0.2 128,-0.2 -0.789 30.3-124.4 -91.3 121.8 41.3 35.7 -31.9 96 96 A E T 3 S+ 0 0 70 126,-2.5 5,-0.1 -2,-0.6 128,-0.1 -0.454 93.6 2.7 -65.5 134.3 45.1 35.3 -31.6 97 97 A N T 3> S+ 0 0 98 -2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.918 80.2 168.2 52.8 51.3 46.2 35.6 -27.9 98 98 A L H <> + 0 0 38 -3,-1.0 4,-2.7 1,-0.2 5,-0.3 0.894 69.3 55.6 -60.7 -45.3 42.6 35.9 -26.7 99 99 A E H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 109.6 47.3 -58.1 -40.0 43.4 35.5 -23.0 100 100 A E H > S+ 0 0 121 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.898 110.8 51.7 -68.7 -39.6 45.9 38.3 -23.1 101 101 A L H X S+ 0 0 0 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