==== 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 1JSI . COMPND 2 MOLECULE: HAEMAGGLUTININ (HA1 CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/SWINE/HONG . AUTHOR Y.HA,D.J.STEVENS,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) . 22743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.2 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 . 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 . 36 7.5 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 . 4 0.8 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 . 4 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 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 1 A D 0 0 40 0, 0.0 457,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.8 36.1 36.5 59.7 2 2 A K E -AB 345 457A 57 343,-1.9 343,-2.2 455,-0.2 2,-0.4 -0.992 360.0-148.1-155.7 158.9 37.7 35.8 56.3 3 3 A I E -AB 344 456A 0 453,-1.5 453,-2.3 -2,-0.3 2,-0.3 -0.999 20.0-163.1-132.7 134.9 38.4 37.3 52.9 4 4 A a E -AB 343 455A 2 339,-3.4 339,-2.0 -2,-0.4 2,-0.4 -0.897 14.2-137.8-122.5 151.0 38.7 35.3 49.7 5 5 A I E +A 342 0A 1 449,-2.9 2,-0.3 -2,-0.3 337,-0.2 -0.828 37.2 153.0-103.1 140.9 40.0 35.8 46.2 6 6 A G E -A 341 0A 0 335,-2.0 335,-2.1 -2,-0.4 2,-0.3 -0.904 31.6-125.3-154.1-177.7 38.0 34.6 43.3 7 7 A Y E -A 340 0A 0 323,-0.4 325,-2.5 -2,-0.3 333,-0.2 -0.960 34.8 -87.6-139.8 156.0 37.1 35.0 39.6 8 8 A Q B -e 332 0B 17 331,-2.5 2,-0.3 -2,-0.3 306,-0.3 -0.269 31.1-171.9 -67.8 144.8 34.0 35.6 37.6 9 9 A S + 0 0 11 323,-1.9 2,-0.2 326,-0.2 326,-0.1 -0.978 13.0 176.9-131.8 139.8 31.8 32.8 36.2 10 10 A T - 0 0 39 -2,-0.3 321,-0.1 2,-0.1 324,-0.0 -0.794 44.1-104.7-136.8-178.9 28.9 33.5 33.7 11 11 A N + 0 0 165 -2,-0.2 16,-0.0 322,-0.1 302,-0.0 0.208 68.8 137.7 -93.9 15.0 26.3 31.8 31.6 12 12 A S - 0 0 34 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.327 41.3-163.2 -58.8 139.2 28.3 32.4 28.4 13 13 A T + 0 0 131 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.301 48.4 128.1-105.9 5.4 28.2 29.3 26.2 14 14 A E - 0 0 66 12,-0.3 12,-2.5 13,-0.1 2,-0.3 -0.349 35.6-178.1 -62.8 138.7 31.2 30.6 24.2 15 15 A T E -F 25 0C 49 10,-0.2 2,-0.3 297,-0.1 291,-0.1 -0.930 8.1-167.1-135.4 159.9 34.1 28.2 23.9 16 16 A V E -F 24 0C 2 8,-2.0 8,-3.2 -2,-0.3 2,-0.3 -0.929 15.4-124.8-141.5 164.8 37.5 28.4 22.3 17 17 A D - 0 0 64 289,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.780 19.5-178.5-112.9 158.3 40.3 26.0 21.3 18 18 A T - 0 0 9 3,-3.1 3,-0.5 -2,-0.3 402,-0.2 -0.788 45.5 -98.8-137.1-178.8 44.0 25.8 22.1 19 19 A L S S+ 0 0 123 400,-0.4 3,-0.1 -2,-0.3 401,-0.1 0.835 123.4 39.1 -75.8 -30.8 46.7 23.4 21.0 20 20 A T S S+ 0 0 110 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.235 126.2 21.9-102.9 12.7 46.4 21.3 24.3 21 21 A E - 0 0 77 -3,-0.5 -3,-3.1 3,-0.0 2,-0.3 -0.907 63.5-146.9-174.8 144.7 42.6 21.5 24.7 22 22 A T S S+ 0 0 93 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.920 74.7 17.2-125.4 150.3 39.4 22.0 22.7 23 23 A N S S- 0 0 107 -2,-0.3 -6,-0.2 1,-0.2 -1,-0.2 0.909 73.8-179.1 60.7 43.6 36.1 23.6 23.4 24 24 A V E -F 16 0C 0 -8,-3.2 -8,-2.0 -3,-0.2 2,-0.3 -0.599 29.1-120.5 -73.4 129.6 37.4 25.4 26.5 25 25 A P E -F 15 0C 52 0, 0.0 288,-2.5 0, 0.0 2,-0.3 -0.568 37.2-175.7 -74.2 134.4 34.5 27.3 28.2 26 26 A V B -G 312 0D 0 -12,-2.5 -12,-0.3 286,-0.3 286,-0.2 -0.959 34.5-136.1-133.4 152.5 35.2 31.1 28.4 27 27 A T S S+ 0 0 6 284,-2.4 2,-0.3 -2,-0.3 -13,-0.1 0.836 93.6 11.8 -71.7 -34.5 33.4 34.1 29.9 28 28 A H + 0 0 75 283,-0.3 282,-2.5 -16,-0.1 281,-2.5 -0.994 67.4 165.8-148.2 140.3 34.0 36.2 26.8 29 29 A A E -H 308 0E 26 -2,-0.3 2,-0.4 279,-0.2 279,-0.2 -0.940 23.4-137.4-146.8 164.6 35.3 35.6 23.3 30 30 A K E -H 307 0E 77 277,-2.8 277,-2.9 -2,-0.3 2,-0.5 -0.976 14.2-136.5-133.8 121.8 35.5 37.3 19.9 31 31 A E E -H 306 0E 60 -2,-0.4 275,-0.2 275,-0.2 273,-0.0 -0.633 18.9-175.8 -74.8 121.3 34.7 35.8 16.5 32 32 A L + 0 0 0 273,-2.2 253,-1.9 -2,-0.5 2,-0.6 0.529 57.5 85.8 -96.0 -7.6 37.4 37.0 14.1 33 33 A L E -i 285 0F 4 251,-0.1 2,-0.5 272,-0.1 253,-0.3 -0.854 64.4-152.4-102.2 119.6 36.0 35.4 11.0 34 34 A H E +i 286 0F 32 251,-3.0 253,-1.3 -2,-0.6 254,-0.3 -0.746 19.9 170.4 -85.8 130.0 33.3 37.2 9.0 35 35 A T + 0 0 71 -2,-0.5 2,-0.3 251,-0.2 -1,-0.1 0.400 40.2 94.6-123.8 3.8 31.1 34.8 7.1 36 36 A S + 0 0 78 244,-0.1 2,-0.3 2,-0.0 252,-0.1 -0.681 39.5 173.1-101.4 153.1 28.2 36.8 5.7 37 37 A H - 0 0 62 -2,-0.3 242,-0.2 242,-0.1 236,-0.1 -0.972 38.7-119.9-149.6 155.5 27.7 38.3 2.3 38 38 A N - 0 0 64 240,-2.6 239,-0.1 -2,-0.3 241,-0.1 0.401 41.0-125.3 -81.2 2.6 24.7 40.1 0.6 39 39 A G S S+ 0 0 28 239,-0.3 225,-0.4 1,-0.2 2,-0.3 0.687 74.0 103.5 63.2 19.3 24.5 37.6 -2.3 40 40 A M S S- 0 0 61 238,-0.1 2,-0.6 223,-0.1 238,-0.4 -0.869 74.4-117.5-131.7 165.2 24.7 40.3 -4.9 41 41 A L E +k 265 0G 1 223,-2.3 225,-2.0 -2,-0.3 2,-0.2 -0.897 48.9 168.2 -98.7 121.9 27.1 42.0 -7.3 42 42 A b E - 0 0 2 -2,-0.6 2,-0.2 223,-0.2 227,-0.2 -0.638 38.3 -85.8-126.0-175.5 27.6 45.6 -6.3 43 43 A A E -k 269 0G 2 225,-2.4 227,-2.4 -2,-0.2 5,-0.3 -0.606 40.4-153.4 -88.8 154.0 29.8 48.6 -6.9 44 44 A T B > -L 47 0H 6 3,-2.4 3,-2.6 -2,-0.2 227,-0.2 -0.529 44.9 -76.7-114.7-173.3 33.0 48.9 -5.0 45 45 A N T 3 S+ 0 0 148 226,-0.3 3,-0.1 1,-0.3 226,-0.1 0.628 133.6 57.9 -62.0 -9.3 35.0 51.9 -4.0 46 46 A L T 3 S- 0 0 84 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.385 116.7-105.3-100.9 0.8 36.1 51.9 -7.6 47 47 A G B < -L 44 0H 27 -3,-2.6 -3,-2.4 30,-0.1 -1,-0.4 -0.680 55.8 -22.0 114.1-167.4 32.6 52.2 -9.0 48 48 A H - 0 0 115 -5,-0.3 29,-1.2 -2,-0.2 30,-0.2 -0.550 62.5-112.1 -87.0 148.7 30.0 50.0 -10.8 49 49 A P - 0 0 21 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.385 24.6-116.6 -76.9 155.9 30.9 46.8 -12.7 50 50 A L E -m 79 0I 7 28,-2.7 30,-2.7 -2,-0.1 2,-0.8 -0.859 33.3-156.9 -92.7 110.4 30.5 46.5 -16.4 51 51 A I E -m 80 0I 51 -2,-0.8 2,-0.8 28,-0.2 30,-0.2 -0.814 7.8-167.0 -97.0 110.3 27.8 43.8 -16.8 52 52 A L E +m 81 0I 4 28,-3.5 30,-2.8 -2,-0.8 33,-0.3 -0.832 18.1 162.2 -97.1 108.4 27.9 42.0 -20.2 53 53 A D S S+ 0 0 84 -2,-0.8 -1,-0.1 28,-0.2 3,-0.1 0.630 79.1 13.6-103.1 -13.2 24.8 40.0 -20.6 54 54 A T S S+ 0 0 66 1,-0.2 33,-2.6 31,-0.2 32,-1.3 0.540 118.0 63.5-130.1 -22.7 24.7 39.4 -24.4 55 55 A c B -o 87 0J 3 30,-0.2 -1,-0.2 31,-0.2 33,-0.2 -0.894 68.0-140.2-114.2 135.6 28.2 40.3 -25.6 56 56 A T > - 0 0 17 31,-1.8 4,-2.2 -2,-0.4 3,-0.5 -0.450 37.5-100.0 -82.3 162.9 31.5 38.7 -24.7 57 57 A I H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.888 125.9 46.3 -51.0 -44.6 34.6 40.9 -24.1 58 58 A E H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.814 107.0 58.4 -71.2 -26.6 35.9 40.2 -27.5 59 59 A G H >>S+ 0 0 0 -3,-0.5 5,-3.1 2,-0.2 4,-0.6 0.915 110.7 43.9 -65.4 -40.3 32.5 40.9 -29.0 60 60 A L H ><5S+ 0 0 8 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.970 113.6 49.8 -65.6 -54.5 32.7 44.3 -27.5 61 61 A I H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.899 116.2 40.8 -53.8 -46.8 36.3 44.9 -28.5 62 62 A Y H 3<5S- 0 0 0 -4,-2.8 78,-1.5 -5,-0.1 79,-0.3 0.544 112.7-118.4 -81.4 -5.5 35.7 43.9 -32.2 63 63 A G T <<5 - 0 0 4 -3,-1.1 76,-2.2 -4,-0.6 -3,-0.2 0.945 29.7-157.2 70.6 46.4 32.4 45.7 -32.3 64 64 A N > < - 0 0 2 -5,-3.1 3,-2.8 74,-0.2 -1,-0.1 -0.357 26.8-117.4 -53.0 132.9 30.1 42.8 -33.0 65 65 A P T 3 S+ 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.611 112.7 61.6 -53.2 -12.5 27.0 44.3 -34.6 66 66 A S T 3 S+ 0 0 51 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.395 94.6 63.4 -94.3 3.3 24.9 43.1 -31.7 67 67 A c X + 0 0 6 -3,-2.8 3,-2.6 -8,-0.2 4,-0.3 0.058 56.9 128.3-115.5 25.5 26.8 45.1 -29.1 68 68 A D G > + 0 0 70 -3,-0.5 3,-1.9 1,-0.3 4,-0.3 0.793 62.9 71.7 -51.4 -33.3 26.0 48.6 -30.3 69 69 A L G 3 S+ 0 0 157 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.730 98.1 50.9 -56.2 -22.1 24.9 49.6 -26.8 70 70 A L G X S+ 0 0 20 -3,-2.6 3,-2.0 1,-0.2 -1,-0.3 0.513 80.1 95.6 -95.6 -5.7 28.6 49.5 -25.9 71 71 A L T < S+ 0 0 52 -3,-1.9 42,-0.4 -4,-0.3 -1,-0.2 0.766 76.0 63.7 -56.2 -28.7 29.9 51.7 -28.7 72 72 A G T 3 S- 0 0 75 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.556 109.9-114.8 -76.5 -6.5 29.8 54.8 -26.5 73 73 A G < - 0 0 18 -3,-2.0 2,-0.3 39,-0.1 39,-0.2 0.114 29.0-144.0 90.1 152.8 32.4 53.5 -24.1 74 74 A R E -P 111 0K 107 37,-0.6 37,-1.5 -3,-0.1 2,-0.3 -0.859 5.3-143.5-143.4 176.1 32.2 52.6 -20.4 75 75 A E E +P 110 0K 161 -2,-0.3 2,-0.3 35,-0.2 35,-0.3 -0.979 27.0 175.7-144.0 142.4 34.2 52.6 -17.2 76 76 A W - 0 0 6 33,-1.8 3,-0.1 -2,-0.3 -28,-0.1 -0.962 42.6-143.2-149.3 165.3 34.1 49.9 -14.5 77 77 A S S S- 0 0 0 -29,-1.2 178,-3.3 1,-0.4 179,-0.5 0.811 94.6 -14.0 -92.3 -43.2 35.5 48.6 -11.3 78 78 A Y S S- 0 0 0 176,-0.2 -28,-2.7 -30,-0.2 -1,-0.4 -0.938 71.6-111.6-151.2 169.0 35.3 45.0 -12.5 79 79 A I E -mn 50 258I 0 178,-2.1 180,-2.9 -2,-0.3 2,-0.4 -0.860 17.6-164.2-112.9 145.9 33.7 43.0 -15.4 80 80 A V E -mn 51 259I 0 -30,-2.7 -28,-3.5 -2,-0.4 2,-0.7 -0.989 1.7-165.5-129.6 121.4 30.9 40.5 -15.3 81 81 A E E -m 52 0I 21 178,-2.6 180,-0.2 -2,-0.4 -28,-0.2 -0.916 17.6-146.5-107.1 104.9 30.2 38.1 -18.2 82 82 A R > - 0 0 33 -30,-2.8 3,-1.8 -2,-0.7 180,-0.2 -0.313 23.9-115.8 -65.8 154.4 26.8 36.5 -17.8 83 83 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 179,-0.1 0.676 116.4 65.3 -66.5 -12.9 26.5 33.0 -19.1 84 84 A S T 3 S+ 0 0 69 -32,-0.1 2,-0.8 -29,-0.1 3,-0.1 0.619 72.4 106.0 -82.7 -13.4 24.0 34.5 -21.6 85 85 A A < + 0 0 13 -3,-1.8 -30,-0.2 -33,-0.3 -31,-0.2 -0.565 32.9 142.4 -69.6 107.4 26.8 36.5 -23.3 86 86 A V + 0 0 109 -32,-1.3 2,-1.1 -2,-0.8 -31,-0.2 0.388 32.8 102.3-127.9 -2.0 27.2 34.6 -26.5 87 87 A N B +o 55 0J 51 -33,-2.6 -31,-1.8 -3,-0.1 -28,-0.2 -0.739 43.6 118.4 -90.0 98.9 27.9 37.4 -29.1 88 88 A G S S+ 0 0 7 -2,-1.1 2,-1.0 -33,-0.2 -1,-0.1 0.385 77.1 4.8-120.5-101.5 31.6 37.4 -29.7 89 89 A M - 0 0 34 1,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.787 63.2-177.1 -94.6 98.4 33.1 36.7 -33.1 90 90 A d + 0 0 15 -2,-1.0 -1,-0.2 2,-0.1 44,-0.1 0.899 68.6 65.3 -62.9 -43.8 30.0 36.4 -35.3 91 91 A Y S S- 0 0 16 1,-0.1 129,-0.2 42,-0.1 123,-0.1 -0.726 107.3 -96.7 -84.1 126.6 32.0 35.6 -38.5 92 92 A P S S+ 0 0 4 0, 0.0 128,-2.0 0, 0.0 2,-0.2 -0.064 80.3 89.6 -42.5 129.6 33.8 32.2 -38.1 93 93 A G - 0 0 16 126,-0.2 2,-0.3 -4,-0.2 128,-0.2 -0.849 63.9-100.4 157.0 169.2 37.4 32.6 -37.0 94 94 A N - 0 0 128 -2,-0.2 128,-2.4 126,-0.2 2,-0.5 -0.900 20.6-123.5-124.6 153.0 39.6 32.9 -33.9 95 95 A V B > -q 222 0K 16 -2,-0.3 3,-1.0 126,-0.2 2,-0.2 -0.794 28.1-129.2 -93.2 123.1 41.3 35.6 -32.0 96 96 A E T 3 S+ 0 0 66 126,-2.1 5,-0.1 -2,-0.5 128,-0.1 -0.531 92.1 4.7 -70.2 135.1 45.0 35.2 -31.6 97 97 A N T 3> S+ 0 0 93 -2,-0.2 4,-2.3 3,-0.1 -1,-0.3 0.897 79.2 166.9 54.4 47.5 46.1 35.6 -27.9 98 98 A L H <> S+ 0 0 40 -3,-1.0 4,-2.9 1,-0.2 5,-0.3 0.896 70.8 53.7 -57.4 -45.1 42.5 35.9 -26.8 99 99 A E H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.2 46.6 -58.1 -45.9 43.4 35.4 -23.1 100 100 A E H > S+ 0 0 121 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.906 112.9 50.3 -63.9 -40.7 45.9 38.2 -23.2 101 101 A L H X S+ 0 0 0 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