==== 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 12-SEP-06 2IBX . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR S.YAMADA,R.J.RUSSELL,S.J.GAMBLIN,J.J.SKEHEL,Y.KAWAOKA . 1443 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 259 17.9 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 . 28 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 128 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 18.8 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 0 3 0 0 5 4 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 10 9 8 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 . 14 22 14 3 2 7 0 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 . 15 10 2 4 2 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 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 52 0, 0.0 461,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.7 -44.7 49.6 -7.2 2 6 A Q E -AB 349 461A 58 347,-3.2 347,-3.5 459,-0.2 2,-0.4 -0.948 360.0-167.7-131.6 140.7 -45.4 48.1 -3.8 3 7 A I E -AB 348 460A 0 457,-2.2 457,-3.2 -2,-0.4 2,-0.4 -0.974 17.6-169.1-125.8 142.9 -47.4 48.9 -0.7 4 8 A a E -AB 347 459A 5 343,-2.1 343,-1.5 -2,-0.4 2,-0.4 -0.985 18.6-142.8-137.2 140.7 -46.8 47.1 2.5 5 9 A I E +A 346 0A 1 453,-3.0 2,-0.2 -2,-0.4 341,-0.2 -0.853 41.6 140.0-100.1 141.1 -48.6 46.7 5.8 6 10 A G E -A 345 0A 0 339,-1.9 339,-1.8 -2,-0.4 2,-0.3 -0.859 36.3-113.8-159.1-166.4 -46.3 46.6 8.8 7 11 A Y E -A 344 0A 0 327,-0.4 329,-2.8 -2,-0.2 337,-0.3 -0.991 33.3 -79.2-151.2 152.6 -45.7 47.7 12.4 8 12 A H B +e 336 0B 20 335,-2.3 2,-0.3 -2,-0.3 329,-0.2 -0.048 39.4 173.8 -49.4 135.5 -43.4 49.8 14.7 9 13 A A + 0 0 2 327,-1.3 2,-0.3 330,-0.4 310,-0.1 -0.894 6.3 159.9-130.7 171.8 -40.0 48.6 16.0 10 14 A N - 0 0 35 -2,-0.3 327,-0.1 2,-0.2 325,-0.1 -0.946 53.0 -77.4-173.7-174.2 -37.5 50.5 18.0 11 15 A N S S+ 0 0 157 -2,-0.3 16,-0.0 326,-0.1 326,-0.0 0.368 71.1 137.3 -94.5 9.2 -34.4 50.1 20.3 12 16 A S - 0 0 29 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.162 32.2-174.0 -45.4 137.9 -36.3 49.1 23.5 13 17 A T + 0 0 121 14,-0.1 -1,-0.1 2,-0.0 14,-0.1 0.377 42.5 131.0-121.3 -9.7 -34.6 46.3 25.3 14 18 A E - 0 0 74 12,-0.2 12,-2.3 11,-0.1 2,-0.3 -0.115 41.1-157.4 -35.3 130.7 -37.5 46.1 27.8 15 19 A Q E -F 25 0C 71 10,-0.3 2,-0.3 12,-0.1 10,-0.2 -0.944 11.8-171.3-127.9 144.1 -39.1 42.7 28.5 16 20 A V E -F 24 0C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.3 -0.911 20.5-125.5-124.6 157.2 -42.4 41.4 29.7 17 21 A D + 0 0 33 295,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.737 23.6 179.3 -96.9 149.3 -43.6 37.9 30.7 18 22 A T - 0 0 7 3,-2.6 406,-0.2 -2,-0.3 405,-0.1 -0.678 43.8-100.2-123.8-170.3 -46.6 36.0 29.4 19 23 A I S S+ 0 0 3 404,-0.5 1323,-0.3 -2,-0.2 1324,-0.1 0.884 121.9 31.9 -78.3 -43.1 -47.8 32.5 30.3 20 24 A M S S+ 0 0 25 1,-0.2 2,-0.3 1318,-0.1 1318,-0.2 0.563 126.8 35.1 -90.4 -13.3 -46.3 30.8 27.2 21 25 A E - 0 0 85 1317,-0.1 -3,-2.6 1318,-0.0 3,-0.3 -0.968 64.2-157.9-147.2 130.4 -43.2 33.0 26.8 22 26 A K S S+ 0 0 128 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.628 74.4 18.9 -99.7 157.8 -41.0 34.7 29.3 23 27 A N S S+ 0 0 92 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.921 73.9 175.0 49.9 62.2 -38.8 37.7 28.7 24 28 A V E -F 16 0C 2 -8,-2.9 -8,-2.6 -3,-0.3 2,-0.4 -0.899 29.8-126.3 -97.8 127.3 -40.5 38.9 25.5 25 29 A T E -F 15 0C 44 -2,-0.5 294,-3.2 -10,-0.2 2,-0.4 -0.600 30.1-171.2 -78.5 127.0 -39.0 42.1 24.3 26 30 A V B -G 318 0D 0 -12,-2.3 -12,-0.2 -2,-0.4 292,-0.2 -0.900 33.7-132.8-116.5 147.4 -41.6 44.9 23.7 27 31 A T S S+ 0 0 1 290,-2.3 2,-0.2 -2,-0.4 -15,-0.1 0.547 99.9 20.1 -59.3 -14.0 -41.3 48.3 22.1 28 32 A H + 0 0 70 289,-0.3 287,-3.2 -14,-0.1 288,-2.5 -0.814 68.5 169.2-170.0 119.5 -43.1 49.7 25.2 29 33 A A E -H 314 0E 20 285,-0.3 2,-0.4 -2,-0.2 285,-0.3 -0.841 23.8-140.2-128.7 159.3 -43.7 48.4 28.7 30 34 A Q E -H 313 0E 74 283,-3.0 283,-3.0 -2,-0.3 2,-0.7 -0.887 8.5-154.5-130.5 111.9 -45.1 49.8 31.9 31 35 A D E +H 312 0E 55 -2,-0.4 281,-0.2 281,-0.3 -2,-0.0 -0.704 16.0 178.3 -80.9 114.0 -43.3 48.8 35.1 32 36 A I + 0 0 2 279,-2.3 259,-1.1 -2,-0.7 2,-0.5 0.152 47.3 90.6-104.1 12.5 -46.1 49.2 37.7 33 37 A L E -i 291 0F 0 278,-0.4 2,-0.5 257,-0.1 259,-0.3 -0.959 63.5-142.9-121.8 128.3 -44.2 48.1 40.9 34 38 A E E +i 292 0F 30 257,-2.6 259,-1.8 -2,-0.5 260,-0.3 -0.710 25.3 165.8 -82.7 124.7 -42.2 50.4 43.2 35 39 A K + 0 0 95 -2,-0.5 2,-0.4 257,-0.2 -1,-0.1 0.550 51.1 82.0-116.9 -3.1 -39.1 48.8 44.5 36 40 A T + 0 0 96 250,-0.1 250,-0.4 2,-0.0 2,-0.2 -0.784 44.2 168.0-108.3 140.3 -37.3 51.9 46.0 37 41 A H - 0 0 53 -2,-0.4 248,-0.2 248,-0.1 246,-0.0 -0.812 40.9-115.0-131.4 179.0 -37.7 53.8 49.3 38 42 A N - 0 0 64 246,-1.9 245,-0.1 -2,-0.2 3,-0.1 0.473 36.3-129.6 -98.8 -1.4 -35.6 56.5 51.0 39 43 A G S S+ 0 0 32 1,-0.2 2,-0.3 245,-0.1 244,-0.2 0.547 71.3 106.1 72.3 10.1 -34.5 54.5 54.1 40 44 A K S S- 0 0 102 244,-0.1 2,-0.5 229,-0.1 244,-0.3 -0.825 71.5-122.4-120.5 153.5 -35.6 57.2 56.5 41 45 A L B +k 271 0G 0 229,-0.8 231,-2.4 -2,-0.3 2,-0.3 -0.880 44.8 178.5 -94.2 133.9 -38.4 57.9 59.0 42 46 A b - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 241,-0.0 -0.827 32.9 -84.0-133.6 160.3 -40.1 61.1 57.9 43 47 A D - 0 0 27 231,-3.4 2,-0.5 -2,-0.3 233,-0.5 -0.115 38.5-128.4 -52.7 160.8 -43.0 63.3 58.9 44 48 A L S S- 0 0 24 3,-0.6 233,-0.2 1,-0.2 231,-0.1 -0.739 87.5 -22.5-125.1 89.5 -46.4 62.3 57.6 45 49 A D S S- 0 0 97 231,-1.0 -1,-0.2 -2,-0.5 232,-0.1 0.894 130.1 -49.8 72.9 49.9 -48.0 65.4 55.8 46 50 A G S S+ 0 0 50 230,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.844 115.4 120.7 53.8 40.4 -45.6 67.6 57.9 47 51 A V - 0 0 44 -5,-0.0 -3,-0.6 29,-0.0 30,-0.5 -0.746 57.9-137.6-134.7 89.4 -46.6 65.8 61.2 48 52 A K - 0 0 86 -2,-0.3 29,-0.7 -5,-0.2 2,-0.2 0.087 16.6-117.7 -48.3 143.1 -43.7 64.1 63.0 49 53 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 30,-0.2 -0.563 24.2-108.5 -78.6 147.9 -43.9 60.7 64.6 50 54 A L E -l 79 0H 12 28,-1.5 30,-3.2 -2,-0.2 2,-1.1 -0.656 37.1-167.0 -66.9 99.0 -43.5 59.8 68.3 51 55 A I E -l 80 0H 10 -2,-1.2 3,-0.1 28,-0.2 30,-0.1 -0.764 5.1-166.6 -97.8 89.2 -40.1 58.2 68.0 52 56 A L > - 0 0 0 28,-1.2 3,-3.9 -2,-1.1 -1,-0.1 0.266 14.6-170.7 -60.3 9.9 -39.9 56.5 71.4 53 57 A R T 3 S- 0 0 140 1,-0.3 29,-0.6 27,-0.2 -1,-0.2 0.024 71.9 -9.5 32.8-114.4 -36.2 55.9 70.8 54 58 A D T 3 S+ 0 0 67 -3,-0.1 33,-1.8 31,-0.1 2,-0.5 0.400 116.9 100.9 -87.2 3.7 -35.1 53.6 73.6 55 59 A c B < -n 87 0I 5 -3,-3.9 27,-0.2 31,-0.1 33,-0.2 -0.788 64.2-141.9 -97.8 130.6 -38.3 54.0 75.5 56 60 A S > - 0 0 0 31,-1.5 4,-1.2 -2,-0.5 5,-0.2 -0.484 30.3-106.6 -80.9 154.9 -41.0 51.4 75.4 57 61 A V H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.891 124.8 46.9 -50.2 -46.8 -44.7 52.3 75.3 58 62 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.951 109.1 53.7 -55.1 -54.7 -45.1 51.3 79.0 59 63 A G H 34>S+ 0 0 0 1,-0.2 5,-1.5 2,-0.2 -1,-0.2 0.599 113.7 45.6 -57.8 -12.7 -41.8 53.2 79.9 60 64 A W H X<5S+ 0 0 3 -4,-1.2 3,-0.5 -3,-0.8 -2,-0.2 0.852 110.6 48.6 -95.5 -44.4 -43.5 56.2 78.3 61 65 A L H 3<5S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.750 119.6 38.6 -69.5 -28.0 -47.0 56.0 79.8 62 66 A L T 3<5S- 0 0 0 -4,-2.1 84,-1.5 -5,-0.2 85,-0.4 0.444 113.7-118.1 -96.8 -6.8 -45.7 55.5 83.3 63 67 A G T < 5 - 0 0 8 -3,-0.5 82,-2.7 -5,-0.3 -3,-0.2 0.951 23.8-152.5 62.0 51.6 -42.9 58.0 82.9 64 68 A N > < - 0 0 2 -5,-1.5 3,-2.4 80,-0.2 -1,-0.1 -0.340 28.4-119.3 -38.1 130.9 -39.8 55.8 83.4 65 69 A P T 3 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.413 114.0 62.1 -68.4 3.1 -37.5 58.5 84.7 66 70 A M T 3 S+ 0 0 102 -7,-0.2 3,-0.2 1,-0.2 -2,-0.1 0.293 91.3 69.0-105.3 4.4 -35.2 57.7 81.7 67 71 A c X + 0 0 6 -3,-2.4 3,-1.4 -8,-0.2 -1,-0.2 -0.210 55.2 130.6-117.5 38.0 -38.0 58.7 79.4 68 72 A D G > + 0 0 46 1,-0.3 3,-0.9 -3,-0.3 -1,-0.1 0.578 60.8 72.7 -71.5 -12.9 -38.0 62.5 80.2 69 73 A E G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.788 101.6 47.2 -65.6 -23.7 -37.9 63.4 76.4 70 74 A F G < + 0 0 10 -3,-1.4 3,-0.3 1,-0.2 -1,-0.2 -0.128 67.5 124.9-112.5 36.9 -41.6 62.2 76.5 71 75 A I S < S- 0 0 75 -3,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.877 98.1 -7.0 -60.7 -46.4 -43.0 64.0 79.6 72 76 A N S S- 0 0 97 -3,-0.2 -1,-0.3 -4,-0.1 40,-0.1 -0.835 84.8-163.7-147.6 114.4 -45.8 65.6 77.4 73 77 A V - 0 0 19 -3,-0.3 38,-0.5 -2,-0.3 3,-0.1 -0.798 19.1-110.4-109.3 146.8 -45.4 65.0 73.7 74 78 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.140 54.3 -70.1 -61.1 161.4 -47.1 66.8 70.7 75 79 A E - 0 0 84 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.200 58.6-156.0 -50.5 143.6 -49.7 65.1 68.4 76 80 A W - 0 0 2 33,-2.4 -28,-0.1 1,-0.1 3,-0.1 -0.862 25.3-146.5-129.0 156.2 -48.1 62.4 66.3 77 81 A S S S- 0 0 6 -29,-0.7 2,-0.3 1,-0.5 186,-0.1 0.882 87.4 -9.9 -89.2 -49.0 -49.0 60.7 63.0 78 82 A Y - 0 0 0 -31,-0.2 -28,-1.5 184,-0.2 -1,-0.5 -0.942 68.8-122.7-141.2 162.5 -47.6 57.3 64.0 79 83 A I E -lm 50 264H 0 184,-2.9 186,-2.4 -2,-0.3 2,-0.5 -0.852 19.0-153.2-104.0 144.3 -45.5 56.0 66.9 80 84 A V E +lm 51 265H 3 -30,-3.2 -28,-1.2 -2,-0.3 2,-0.4 -0.973 16.9 176.7-122.3 122.9 -42.1 54.2 66.3 81 85 A E E - m 0 266H 5 184,-2.7 186,-1.5 -2,-0.5 -25,-0.1 -0.963 24.6-121.0-130.0 141.2 -40.8 51.6 68.8 82 86 A K - 0 0 55 -29,-0.6 186,-0.1 -2,-0.4 -28,-0.0 -0.110 25.9-113.1 -67.9 171.0 -37.8 49.4 68.8 83 87 A A S S+ 0 0 48 1,-0.2 -1,-0.1 183,-0.1 185,-0.0 0.929 109.1 11.8 -66.6 -48.3 -37.8 45.6 69.0 84 88 A N S S- 0 0 144 -28,-0.0 -1,-0.2 4,-0.0 4,-0.1 -0.493 77.6-166.3-137.7 64.7 -36.2 45.5 72.4 85 89 A P - 0 0 26 0, 0.0 3,-0.3 0, 0.0 -30,-0.1 -0.263 14.3-148.3 -59.3 135.2 -36.2 48.9 74.1 86 90 A V S S+ 0 0 116 1,-0.2 2,-0.8 2,-0.1 -31,-0.1 0.672 87.9 67.6 -75.7 -21.2 -33.9 48.9 77.2 87 91 A N B +n 55 0I 33 -33,-1.8 -31,-1.5 -21,-0.1 -1,-0.2 -0.539 67.9 119.4-101.7 64.9 -36.1 51.5 79.0 88 92 A D S S- 0 0 52 -2,-0.8 2,-1.0 -3,-0.3 3,-0.1 0.357 83.6 -12.2 -88.6-131.6 -39.2 49.5 79.7 89 93 A L - 0 0 26 1,-0.2 -1,-0.2 -25,-0.1 4,-0.1 -0.666 64.3-164.6 -66.3 100.0 -40.5 49.0 83.2 90 94 A d S S+ 0 0 14 -2,-1.0 -1,-0.2 -3,-0.1 -2,-0.1 0.936 83.2 55.5 -55.5 -50.4 -37.4 50.0 85.2 91 95 A Y S S- 0 0 3 -3,-0.1 135,-0.2 1,-0.1 129,-0.1 -0.788 110.0-110.3 -82.8 118.1 -38.8 48.4 88.3 92 96 A P + 0 0 8 0, 0.0 134,-2.1 0, 0.0 2,-0.3 -0.017 69.1 87.9 -52.9 152.0 -39.4 44.8 87.1 93 97 A G E -o 226 0J 23 132,-0.2 2,-0.3 -4,-0.1 134,-0.2 -0.912 67.6 -60.4 169.6-134.5 -43.0 43.6 86.7 94 98 A D E -o 227 0J 70 132,-1.1 134,-2.5 -2,-0.3 2,-0.7 -0.959 19.8-145.0-153.1 134.0 -46.0 43.4 84.4 95 99 A F E > -o 228 0J 20 -2,-0.3 3,-1.1 132,-0.2 2,-0.3 -0.919 35.8-131.1 -95.6 115.2 -48.1 45.9 82.5 96 100 A N T 3 S- 0 0 64 132,-3.0 134,-0.2 -2,-0.7 -2,-0.0 -0.547 82.3 -2.2 -75.8 133.0 -51.6 44.2 82.6 97 101 A D T 3> S+ 0 0 66 -2,-0.3 4,-1.2 132,-0.1 -1,-0.3 0.815 84.1 159.8 58.9 35.9 -53.4 44.1 79.3 98 102 A Y H <> + 0 0 23 -3,-1.1 4,-2.8 1,-0.2 5,-0.1 0.833 67.9 47.4 -57.7 -39.0 -50.5 45.9 77.7 99 103 A E H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.940 107.2 54.2 -76.2 -43.8 -51.3 44.8 74.2 100 104 A E H > S+ 0 0 3 2,-0.2 4,-0.9 1,-0.2 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