==== 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 1JSH . 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) . 22690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 63.3 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 . 92 19.3 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 6 4 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 41 0, 0.0 457,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.5 36.1 36.5 59.6 2 2 A K E -AB 345 457A 60 343,-1.7 343,-2.2 455,-0.2 2,-0.4 -0.975 360.0-149.8-147.5 160.0 37.7 35.8 56.2 3 3 A I E -AB 344 456A 0 453,-1.6 453,-2.6 -2,-0.3 2,-0.4 -0.998 20.7-164.0-131.0 132.6 38.5 37.4 52.9 4 4 A a E -AB 343 455A 2 339,-3.1 339,-2.0 -2,-0.4 2,-0.4 -0.941 14.6-140.8-124.2 145.2 38.6 35.3 49.6 5 5 A I E +A 342 0A 1 449,-2.9 2,-0.3 -2,-0.4 337,-0.2 -0.824 37.3 153.6 -99.6 137.6 40.1 35.9 46.2 6 6 A G E -A 341 0A 0 335,-2.0 335,-1.9 -2,-0.4 2,-0.3 -0.863 31.0-125.4-149.8-174.9 38.0 34.7 43.3 7 7 A Y E -A 340 0A 0 323,-0.4 325,-2.9 -2,-0.3 333,-0.2 -0.969 33.4 -85.5-142.7 156.8 37.1 35.1 39.7 8 8 A Q B -e 332 0B 16 331,-2.7 306,-0.4 -2,-0.3 2,-0.3 -0.223 31.9-173.4 -66.5 145.8 34.1 35.6 37.5 9 9 A S + 0 0 10 323,-1.7 2,-0.2 326,-0.2 326,-0.2 -0.988 11.4 177.9-134.8 137.9 31.8 32.9 36.1 10 10 A T - 0 0 37 -2,-0.3 321,-0.1 2,-0.1 324,-0.1 -0.780 43.8-106.8-134.9-179.0 29.0 33.6 33.6 11 11 A N + 0 0 165 -2,-0.2 16,-0.0 322,-0.1 302,-0.0 0.231 68.6 138.6 -93.5 13.0 26.3 31.9 31.6 12 12 A S - 0 0 36 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.274 41.8-162.6 -57.0 140.3 28.3 32.4 28.4 13 13 A T + 0 0 136 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.288 48.6 128.0-107.3 6.7 28.2 29.4 26.1 14 14 A E - 0 0 60 12,-0.3 12,-2.5 13,-0.1 2,-0.3 -0.334 35.1-178.0 -64.6 141.2 31.2 30.6 24.2 15 15 A T E -F 25 0C 47 10,-0.2 2,-0.3 297,-0.1 291,-0.1 -0.962 8.7-169.0-138.9 155.6 34.1 28.3 23.8 16 16 A V E -F 24 0C 3 8,-1.9 8,-2.8 -2,-0.3 2,-0.3 -0.909 17.4-124.9-137.9 165.3 37.6 28.5 22.2 17 17 A D - 0 0 65 289,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.819 19.4-176.7-114.0 155.3 40.3 26.0 21.3 18 18 A T - 0 0 7 3,-3.5 3,-0.5 -2,-0.3 402,-0.2 -0.774 43.8-100.5-133.4 179.1 44.0 25.8 22.2 19 19 A L S S+ 0 0 122 400,-0.4 3,-0.1 -2,-0.3 401,-0.1 0.830 122.7 40.8 -74.9 -31.2 46.6 23.4 21.1 20 20 A T S S+ 0 0 115 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.314 127.1 18.8 -99.2 9.1 46.4 21.4 24.3 21 21 A E - 0 0 76 -3,-0.5 -3,-3.5 3,-0.0 2,-0.3 -0.932 63.3-147.0-173.8 147.8 42.6 21.5 24.6 22 22 A T S S+ 0 0 88 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.915 74.3 19.6-127.2 153.0 39.5 22.1 22.6 23 23 A N S S+ 0 0 103 -2,-0.3 -6,-0.2 1,-0.2 -1,-0.2 0.880 73.1 179.9 60.4 40.7 36.0 23.6 23.4 24 24 A V E -F 16 0C 0 -8,-2.8 -8,-1.9 -3,-0.2 2,-0.2 -0.586 29.9-120.7 -72.5 127.1 37.3 25.4 26.5 25 25 A P E -F 15 0C 53 0, 0.0 288,-2.4 0, 0.0 2,-0.3 -0.533 36.5-173.6 -70.9 133.6 34.5 27.4 28.1 26 26 A V B -G 312 0D 0 -12,-2.5 -12,-0.3 286,-0.3 286,-0.2 -0.951 33.3-138.2-130.9 151.4 35.2 31.1 28.3 27 27 A T S S+ 0 0 4 284,-2.4 2,-0.3 -2,-0.3 -13,-0.1 0.837 93.7 13.1 -72.2 -34.3 33.4 34.1 29.8 28 28 A H + 0 0 73 283,-0.3 281,-2.8 -16,-0.1 282,-2.7 -0.991 67.4 165.8-148.2 137.6 34.1 36.2 26.8 29 29 A A E -H 308 0E 20 -2,-0.3 2,-0.4 279,-0.3 279,-0.2 -0.966 23.5-139.1-146.0 158.8 35.3 35.6 23.3 30 30 A K E -H 307 0E 78 277,-2.8 277,-2.9 -2,-0.3 2,-0.5 -0.984 15.4-137.3-126.2 123.8 35.5 37.5 19.9 31 31 A E E -H 306 0E 56 -2,-0.4 275,-0.2 275,-0.2 -2,-0.0 -0.677 18.4-175.2 -78.0 122.0 34.8 35.8 16.6 32 32 A L + 0 0 0 273,-2.4 253,-1.8 -2,-0.5 2,-0.6 0.538 56.9 87.2 -95.8 -8.2 37.4 37.1 14.1 33 33 A L E -i 285 0F 4 251,-0.1 2,-0.5 272,-0.1 253,-0.3 -0.836 63.9-152.7 -99.8 118.8 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 -0.756 19.4 172.0 -85.4 127.8 33.4 37.3 9.0 35 35 A T + 0 0 71 -2,-0.5 2,-0.3 251,-0.2 -1,-0.1 0.346 40.3 94.2-121.8 8.5 31.2 34.8 7.2 36 36 A S + 0 0 75 244,-0.1 2,-0.3 2,-0.0 252,-0.1 -0.745 38.7 172.5-107.2 152.2 28.3 36.8 5.7 37 37 A H - 0 0 62 -2,-0.3 242,-0.2 242,-0.1 236,-0.1 -0.960 38.6-120.0-146.9 157.8 27.8 38.4 2.2 38 38 A N - 0 0 61 240,-2.5 239,-0.1 -2,-0.3 241,-0.1 0.354 40.6-125.4 -84.8 6.4 24.8 40.1 0.6 39 39 A G S S+ 0 0 28 239,-0.3 225,-0.3 1,-0.2 2,-0.3 0.691 74.3 105.0 59.9 19.4 24.5 37.6 -2.3 40 40 A M S S- 0 0 63 238,-0.1 2,-0.6 223,-0.1 238,-0.3 -0.873 74.0-119.3-130.6 163.3 24.8 40.4 -4.8 41 41 A L E +k 265 0G 1 223,-2.0 225,-2.0 -2,-0.3 2,-0.2 -0.896 49.4 166.9 -98.1 121.0 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 -0.611 38.9 -83.5-125.2-173.4 27.6 45.6 -6.2 43 43 A A E -k 269 0G 3 225,-2.6 227,-2.6 -2,-0.2 5,-0.2 -0.583 40.8-156.2 -88.5 154.9 29.8 48.7 -6.8 44 44 A T B > -L 47 0H 5 3,-2.3 3,-2.2 -2,-0.2 227,-0.2 -0.522 46.0 -75.2-116.9-170.1 33.0 48.9 -4.9 45 45 A N T 3 S+ 0 0 142 226,-0.3 3,-0.1 1,-0.3 226,-0.1 0.627 133.7 57.4 -63.6 -11.6 35.1 51.9 -3.9 46 46 A L T 3 S- 0 0 83 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.375 115.7-109.1-100.1 2.5 36.1 52.0 -7.6 47 47 A G B < -L 44 0H 27 -3,-2.2 -3,-2.3 30,-0.1 -1,-0.3 -0.647 56.2 -15.3 110.5-165.9 32.6 52.2 -9.0 48 48 A H - 0 0 115 -5,-0.2 29,-1.2 -2,-0.2 30,-0.2 -0.506 62.9-114.1 -83.7 145.8 30.1 50.1 -10.8 49 49 A P - 0 0 20 0, 0.0 2,-0.9 0, 0.0 30,-0.2 -0.455 23.8-117.7 -77.6 150.1 30.9 46.8 -12.6 50 50 A L E -m 79 0I 7 28,-2.5 30,-2.5 -2,-0.1 2,-0.7 -0.810 33.7-158.0 -86.8 110.8 30.5 46.5 -16.4 51 51 A I E -m 80 0I 49 -2,-0.9 2,-0.8 28,-0.2 30,-0.2 -0.836 7.3-165.8 -99.2 110.1 27.9 43.8 -16.7 52 52 A L E +m 81 0I 4 28,-3.4 30,-2.5 -2,-0.7 33,-0.3 -0.827 18.0 163.4 -96.6 106.4 27.9 42.1 -20.0 53 53 A D S S+ 0 0 86 -2,-0.8 -1,-0.1 28,-0.2 3,-0.1 0.639 79.4 13.0 -99.4 -15.0 24.7 40.0 -20.5 54 54 A T S S+ 0 0 66 31,-0.2 33,-2.6 1,-0.2 32,-1.4 0.530 118.3 64.1-130.3 -20.3 24.7 39.3 -24.2 55 55 A c B -o 87 0J 3 30,-0.2 -1,-0.2 31,-0.2 33,-0.2 -0.908 67.7-139.8-116.0 135.3 28.2 40.3 -25.4 56 56 A T > - 0 0 17 31,-1.6 4,-2.3 -2,-0.4 3,-0.5 -0.468 37.1-101.0 -82.9 160.4 31.6 38.7 -24.5 57 57 A I H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.879 125.3 46.3 -48.6 -45.5 34.6 40.9 -23.9 58 58 A E H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.834 107.0 58.6 -70.2 -29.4 36.0 40.2 -27.4 59 59 A G H >>S+ 0 0 0 -3,-0.5 5,-3.1 2,-0.2 4,-0.8 0.932 110.5 43.5 -61.7 -43.9 32.5 40.8 -28.9 60 60 A L H ><5S+ 0 0 8 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.953 113.5 50.4 -64.2 -52.3 32.7 44.3 -27.4 61 61 A I H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.918 116.6 40.1 -55.4 -46.8 36.3 44.9 -28.4 62 62 A Y H 3<5S- 0 0 0 -4,-2.9 78,-1.5 -5,-0.1 79,-0.3 0.603 113.5-118.6 -80.4 -9.2 35.7 43.9 -32.0 63 63 A G T <<5 - 0 0 4 -4,-0.8 76,-2.1 -3,-0.6 -3,-0.2 0.947 28.4-156.7 73.8 47.7 32.3 45.6 -32.2 64 64 A N > < - 0 0 2 -5,-3.1 3,-2.9 74,-0.2 -1,-0.1 -0.364 26.7-118.5 -53.1 132.3 30.1 42.7 -32.8 65 65 A P G > S+ 0 0 10 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.628 112.5 62.3 -54.0 -12.1 27.0 44.3 -34.5 66 66 A S G 3 S+ 0 0 50 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.430 94.3 63.8 -92.5 0.5 24.8 43.0 -31.6 67 67 A c G X + 0 0 7 -3,-2.9 3,-2.0 -8,-0.2 4,-0.3 0.008 57.1 128.1-113.9 29.2 26.8 45.1 -29.0 68 68 A D G X + 0 0 67 -3,-0.5 3,-2.1 1,-0.3 4,-0.4 0.812 63.1 70.4 -54.7 -34.5 26.0 48.6 -30.2 69 69 A L G 3 S+ 0 0 157 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.773 99.0 51.1 -54.8 -25.4 24.9 49.7 -26.7 70 70 A L G X S+ 0 0 21 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.524 81.3 95.1 -91.7 -5.1 28.6 49.5 -25.7 71 71 A L T < S+ 0 0 50 -3,-2.1 42,-0.4 -4,-0.3 -1,-0.2 0.778 75.6 63.6 -56.7 -29.0 29.8 51.6 -28.6 72 72 A G T 3 S- 0 0 77 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.491 110.4-114.0 -77.7 -1.9 29.8 54.8 -26.5 73 73 A G < - 0 0 17 -3,-2.0 2,-0.3 39,-0.1 39,-0.2 0.156 29.9-146.1 86.2 153.0 32.4 53.5 -24.1 74 74 A R E -P 111 0K 108 37,-0.6 37,-1.7 -3,-0.1 2,-0.3 -0.879 5.2-143.4-145.0 174.5 32.2 52.6 -20.4 75 75 A E E +P 110 0K 157 -2,-0.3 2,-0.3 35,-0.2 35,-0.3 -0.984 26.3 176.6-142.9 144.0 34.3 52.6 -17.2 76 76 A W - 0 0 7 33,-2.3 3,-0.1 -2,-0.3 -28,-0.1 -0.953 42.2-142.6-148.7 166.8 34.2 50.0 -14.5 77 77 A S S S- 0 0 0 -29,-1.2 178,-3.1 1,-0.4 179,-0.5 0.803 94.1 -13.4 -93.2 -43.7 35.5 48.7 -11.2 78 78 A Y S S- 0 0 0 -30,-0.2 -28,-2.5 176,-0.2 -1,-0.4 -0.950 71.0-111.9-152.4 167.2 35.2 45.1 -12.4 79 79 A I E -mn 50 258I 0 178,-2.1 180,-3.3 -2,-0.3 2,-0.4 -0.853 16.7-165.5-112.6 144.1 33.7 43.0 -15.2 80 80 A V E -mn 51 259I 0 -30,-2.5 -28,-3.4 -2,-0.4 2,-0.7 -0.994 2.7-165.1-127.6 122.7 30.9 40.5 -15.1 81 81 A E E -m 52 0I 20 178,-3.0 -28,-0.2 -2,-0.4 180,-0.1 -0.916 18.0-145.7-109.0 102.0 30.3 38.2 -18.1 82 82 A R > - 0 0 33 -30,-2.5 3,-1.5 -2,-0.7 180,-0.2 -0.269 23.0-116.7 -62.3 154.5 26.8 36.6 -17.7 83 83 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 179,-0.1 0.724 116.3 64.7 -66.1 -17.8 26.5 33.0 -19.0 84 84 A S T 3 S+ 0 0 68 -32,-0.1 2,-0.7 -29,-0.1 -31,-0.1 0.667 72.1 106.5 -77.7 -18.4 24.0 34.5 -21.4 85 85 A A < + 0 0 11 -3,-1.5 -30,-0.2 -33,-0.3 -31,-0.2 -0.516 33.9 144.3 -65.1 108.7 26.7 36.6 -23.1 86 86 A V + 0 0 110 -32,-1.4 2,-1.1 -2,-0.7 -31,-0.2 0.389 32.5 101.3-128.2 -2.5 27.2 34.6 -26.3 87 87 A N B +o 55 0J 50 -33,-2.6 -31,-1.6 1,-0.1 -28,-0.2 -0.746 43.8 119.3 -91.4 97.4 27.9 37.4 -28.9 88 88 A G S S+ 0 0 8 -2,-1.1 2,-1.1 -33,-0.2 3,-0.1 0.413 77.6 4.1-118.9-101.8 31.6 37.3 -29.5 89 89 A M - 0 0 35 1,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.773 63.2-177.2 -95.1 96.3 33.1 36.6 -32.9 90 90 A d + 0 0 15 -2,-1.1 -1,-0.2 2,-0.1 44,-0.1 0.878 69.5 64.5 -59.8 -42.0 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 -0.764 107.1 -97.8 -87.5 126.5 32.0 35.5 -38.2 92 92 A P S S+ 0 0 4 0, 0.0 128,-1.9 0, 0.0 2,-0.2 -0.092 79.2 90.9 -44.3 128.1 33.8 32.1 -37.8 93 93 A G - 0 0 17 126,-0.2 2,-0.3 -4,-0.2 128,-0.2 -0.839 64.4 -99.4 158.3 166.5 37.4 32.5 -36.8 94 94 A N - 0 0 128 -2,-0.2 128,-2.7 126,-0.1 2,-0.5 -0.850 20.5-126.6-118.1 153.3 39.7 32.8 -33.7 95 95 A V B > -q 222 0K 17 -2,-0.3 3,-0.9 126,-0.2 2,-0.3 -0.837 29.1-128.0 -95.1 124.1 41.3 35.6 -31.9 96 96 A E T 3 S+ 0 0 66 126,-2.2 5,-0.1 -2,-0.5 128,-0.1 -0.552 91.9 4.9 -71.4 133.6 45.0 35.2 -31.5 97 97 A N T 3> S+ 0 0 90 -2,-0.3 4,-2.2 3,-0.1 -1,-0.3 0.917 79.5 167.2 56.0 48.5 46.1 35.6 -27.8 98 98 A L H <> S+ 0 0 41 -3,-0.9 4,-3.0 1,-0.2 5,-0.3 0.904 70.4 53.5 -58.5 -46.5 42.5 35.9 -26.7 99 99 A E H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 110.2 47.3 -57.0 -45.6 43.4 35.4 -23.0 100 100 A E H > S+ 0 0 121 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.912 112.4 50.6 -63.7 -40.9 45.9 38.2 -23.1 101 101 A L H X S+ 0 0 0 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