==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-AUG-13 4M44 . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR F.NI,E.KONDRASHKINA,Q.WANG . 1541 6 21 18 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 911 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 18.7 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 . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 110 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 6 3 0 6 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 9 12 0 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 0 0 PARALLEL BRIDGES PER LADDER . 15 6 21 9 3 9 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 . 3 12 6 3 0 0 3 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 32 0, 0.0 482,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.4 222.0 -19.4 114.8 2 2 A R E -AB 370 482A 17 368,-2.3 368,-3.1 480,-0.2 2,-0.4 -0.959 360.0-166.7-114.9 129.8 220.9 -17.6 111.6 3 3 A I E +AB 369 481A 0 478,-2.6 478,-3.0 -2,-0.5 2,-0.3 -0.962 12.8 178.0-120.0 131.2 219.4 -19.6 108.7 4 4 A a E -AB 368 480A 7 364,-2.7 364,-2.3 -2,-0.4 2,-0.2 -0.889 31.0-114.7-133.3 155.5 219.0 -18.1 105.2 5 5 A T E +A 367 0A 13 474,-1.8 2,-0.3 -2,-0.3 362,-0.3 -0.632 45.1 173.5 -81.9 148.6 217.8 -18.9 101.7 6 6 A G E -A 366 0A 5 360,-2.7 360,-2.8 -2,-0.2 2,-0.4 -0.987 29.8-131.9-155.4 165.5 220.6 -18.8 99.1 7 7 A I E -A 365 0A 2 348,-0.4 350,-1.6 -2,-0.3 358,-0.2 -0.945 34.6-107.3-123.1 143.4 221.6 -19.4 95.5 8 8 A T B -e 357 0B 6 356,-2.8 2,-0.4 -2,-0.4 350,-0.2 -0.049 21.3-142.0 -62.8 164.4 224.7 -21.3 94.3 9 9 A S + 0 0 4 348,-1.1 2,-0.3 351,-0.2 327,-0.1 -0.996 34.2 143.7-131.0 127.8 227.8 -19.7 92.7 10 10 A S - 0 0 48 -2,-0.4 327,-0.3 327,-0.1 2,-0.1 -0.928 57.8 -58.7-151.5 170.5 229.7 -21.4 89.9 11 11 A N - 0 0 133 -2,-0.3 3,-0.1 1,-0.1 15,-0.0 -0.369 48.5-172.0 -56.7 129.3 231.6 -20.6 86.7 12 12 A S + 0 0 7 1,-0.1 15,-0.2 -2,-0.1 324,-0.1 -0.570 27.3 145.9-130.6 69.9 229.3 -18.7 84.4 13 13 A P + 0 0 74 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.631 49.2 95.3 -81.0 -13.4 230.8 -18.3 80.9 14 14 A H E -F 26 0C 75 12,-1.1 12,-2.3 -3,-0.1 2,-0.4 -0.550 59.2-155.3 -87.2 143.5 227.5 -18.5 79.1 15 15 A V E +F 25 0C 46 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.952 13.4 175.5-122.5 133.9 225.5 -15.5 78.0 16 16 A V E -F 24 0C 6 8,-1.9 8,-2.6 -2,-0.4 2,-0.3 -0.959 28.8-117.1-129.1 155.2 221.8 -15.0 77.3 17 17 A K E -F 23 0C 93 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.706 28.7-175.1 -89.3 138.3 219.7 -12.0 76.5 18 18 A T - 0 0 4 4,-1.4 4,-0.4 -2,-0.3 427,-0.1 -0.873 29.2-130.3-123.4 164.6 216.9 -10.7 78.7 19 19 A A S S+ 0 0 11 425,-0.3 894,-0.3 -2,-0.3 895,-0.1 0.850 104.6 27.3 -79.3 -36.3 214.4 -7.9 78.3 20 20 A T S S+ 0 0 22 2,-0.1 889,-0.3 889,-0.1 890,-0.2 0.543 128.7 36.2-108.6 -10.0 214.9 -6.2 81.7 21 21 A Q S S- 0 0 59 1,-0.3 -2,-0.1 888,-0.1 -1,-0.1 0.305 92.6-139.5-124.0 7.2 218.5 -7.1 82.6 22 22 A G - 0 0 15 -4,-0.4 -4,-1.4 884,-0.1 -1,-0.3 -0.342 65.8 -6.4 66.0-151.2 220.3 -7.0 79.2 23 23 A E E S-F 17 0C 128 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.616 76.8-173.6 -75.3 134.6 222.8 -9.7 78.6 24 24 A V E -F 16 0C 7 -8,-2.6 -8,-1.9 -2,-0.3 2,-0.3 -0.959 23.8-121.3-131.5 151.3 223.5 -11.8 81.6 25 25 A N E -F 15 0C 73 -2,-0.3 311,-2.7 -10,-0.2 2,-0.3 -0.705 32.8-175.0 -88.5 140.1 226.0 -14.6 82.6 26 26 A V E -FG 14 335C 0 -12,-2.3 -12,-1.1 -2,-0.3 309,-0.2 -0.934 34.7-123.4-133.6 159.7 224.5 -17.9 83.6 27 27 A T S S+ 0 0 34 307,-1.9 2,-0.3 -2,-0.3 306,-0.1 0.762 91.2 8.0 -73.8 -27.5 225.9 -21.2 84.9 28 28 A G - 0 0 14 306,-0.2 304,-3.1 -16,-0.1 2,-0.3 -0.998 59.5-171.8-157.0 151.7 224.4 -23.3 82.2 29 29 A V E -H 331 0D 30 -2,-0.3 302,-0.2 302,-0.3 -13,-0.0 -0.944 23.0-133.0-139.1 161.3 222.5 -23.2 78.8 30 30 A I E -H 330 0D 35 300,-3.1 300,-2.6 -2,-0.3 2,-0.1 -0.967 31.8-133.3-112.0 111.6 220.8 -25.4 76.3 31 31 A P E -H 329 0D 62 0, 0.0 298,-0.2 0, 0.0 297,-0.1 -0.435 19.7-172.6 -64.6 137.1 222.0 -24.6 72.8 32 32 A L + 0 0 0 296,-2.1 276,-2.0 -2,-0.1 2,-0.3 0.472 62.7 53.0-106.5 -8.2 219.0 -24.2 70.4 33 33 A T E -i 308 0E 15 295,-0.6 2,-0.3 274,-0.1 276,-0.2 -0.917 52.0-176.2-131.6 152.7 221.1 -23.9 67.2 34 34 A T E -i 309 0E 51 274,-0.7 276,-2.5 -2,-0.3 271,-0.0 -0.938 28.7-124.0-133.0 162.1 223.8 -25.6 65.2 35 35 A T - 0 0 89 -2,-0.3 276,-0.1 274,-0.2 274,-0.0 -0.949 34.7-137.1-104.1 114.2 225.7 -24.7 62.0 36 36 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 266,-0.1 -0.181 11.1-128.6 -65.9 159.9 225.2 -27.6 59.6 37 37 A T - 0 0 118 262,-0.1 2,-0.4 1,-0.0 262,-0.0 -0.833 30.6 -95.4-109.6 153.1 228.1 -28.9 57.4 38 38 A K + 0 0 156 -2,-0.3 2,-0.2 264,-0.0 262,-0.2 -0.513 54.7 165.0 -72.6 119.4 228.0 -29.4 53.7 39 39 A S - 0 0 54 260,-3.1 263,-0.0 -2,-0.4 2,-0.0 -0.749 40.8 -82.4-126.1 173.2 227.1 -33.0 52.8 40 40 A H - 0 0 97 -2,-0.2 261,-1.9 260,-0.2 -1,-0.1 -0.317 52.4-101.9 -70.0 159.8 226.0 -34.9 49.7 41 41 A F + 0 0 16 246,-0.3 248,-2.5 259,-0.3 2,-0.3 -0.308 46.2 175.0 -78.8 171.0 222.3 -34.9 48.8 42 42 A A - 0 0 2 246,-0.3 2,-0.2 -2,-0.1 249,-0.2 -0.895 35.0 -58.2-160.3-179.0 220.0 -37.8 49.6 43 43 A N E -k 291 0F 61 247,-2.9 249,-1.9 -2,-0.3 2,-0.7 -0.547 52.5-115.3 -76.6 143.1 216.5 -39.3 49.6 44 44 A L E > -kL 292 47F 10 3,-0.5 3,-2.6 -2,-0.2 249,-0.2 -0.710 34.5-115.7 -82.1 116.8 213.9 -37.4 51.6 45 45 A K T 3 S+ 0 0 124 247,-2.5 274,-0.1 -2,-0.7 -1,-0.1 -0.311 99.6 11.0 -54.1 121.4 212.7 -39.6 54.4 46 46 A G T 3 S+ 0 0 76 -2,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.440 118.0 83.8 89.1 1.3 209.0 -40.5 53.9 47 47 A T B < S-L 44 0F 46 -3,-2.6 -3,-0.5 32,-0.0 2,-0.1 -0.954 80.2-121.1-144.6 120.7 209.0 -39.1 50.4 48 48 A K - 0 0 146 -2,-0.4 33,-1.2 -5,-0.1 32,-0.8 -0.376 35.8-147.2 -54.6 126.7 210.0 -40.7 47.0 49 49 A T E -m 81 0G 16 30,-0.1 2,-0.3 31,-0.1 33,-0.2 -0.904 3.2-144.7-116.3 117.5 212.7 -38.4 45.6 50 50 A R E +m 82 0G 12 31,-3.2 33,-2.5 -2,-0.6 3,-0.1 -0.562 30.5 153.7 -82.8 133.4 213.2 -37.8 41.9 51 51 A G S S+ 0 0 12 1,-0.7 2,-0.2 -2,-0.3 34,-0.2 0.562 70.6 23.0-114.1 -85.6 216.6 -37.3 40.3 52 52 A K S S- 0 0 83 1,-0.1 -1,-0.7 33,-0.0 9,-0.0 -0.619 78.0-128.1 -79.2 146.7 216.7 -38.3 36.7 53 53 A L S S+ 0 0 1 1,-0.3 -1,-0.1 -2,-0.2 64,-0.1 0.925 104.5 21.6 -60.8 -46.5 213.3 -38.3 35.0 54 54 A b S > S- 0 0 4 22,-0.2 3,-1.0 3,-0.1 -1,-0.3 -0.842 70.6-179.6-125.7 91.6 213.7 -41.8 33.7 55 55 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 81.2 58.4 -65.4 -29.5 216.3 -43.6 35.9 56 56 A T T 3 S+ 0 0 104 19,-0.4 2,-1.1 1,-0.1 20,-0.1 0.730 86.0 89.1 -71.0 -22.2 216.1 -46.9 33.9 57 57 A b S X S- 0 0 16 -3,-1.0 3,-0.7 18,-0.2 2,-0.1 -0.649 71.1-158.2 -80.4 100.2 217.1 -45.0 30.7 58 58 A L T 3 + 0 0 135 -2,-1.1 3,-0.1 1,-0.2 -2,-0.1 -0.477 69.1 17.0 -84.0 153.2 220.9 -45.2 30.7 59 59 A N T 3 S+ 0 0 141 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.789 100.3 121.2 55.0 32.2 223.1 -42.8 28.7 60 60 A c < - 0 0 11 -3,-0.7 2,-0.3 -6,-0.1 -1,-0.2 -0.956 55.0-145.6-120.2 139.2 220.1 -40.5 28.5 61 61 A T > - 0 0 17 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.681 32.0-109.1 -91.3 160.9 219.9 -37.0 29.7 62 62 A D H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.855 123.7 50.6 -54.8 -38.3 216.7 -35.6 31.2 63 63 A L H > S+ 0 0 0 27,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.885 106.9 53.8 -67.4 -40.2 216.4 -33.4 28.1 64 64 A D H >>S+ 0 0 0 26,-0.4 5,-2.5 1,-0.2 4,-0.6 0.926 112.4 45.0 -56.2 -46.8 217.0 -36.5 25.9 65 65 A V H ><5S+ 0 0 7 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.907 110.9 52.6 -63.1 -44.9 214.1 -38.2 27.7 66 66 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 109.8 48.6 -64.9 -32.0 211.8 -35.1 27.5 67 67 A L H 3<5S- 0 0 2 -4,-1.9 88,-1.2 -5,-0.1 -1,-0.3 0.582 115.4-116.5 -83.3 -11.3 212.3 -34.8 23.8 68 68 A G T <<5 - 0 0 1 -3,-0.9 86,-3.6 -4,-0.6 -3,-0.2 0.886 43.1-173.7 76.1 41.1 211.6 -38.5 23.3 69 69 A R > < - 0 0 34 -5,-2.5 3,-2.1 3,-0.3 -1,-0.2 -0.396 36.5 -93.4 -63.3 140.3 215.0 -39.5 21.9 70 70 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.379 116.5 21.1 -54.2 135.8 215.3 -43.1 20.7 71 71 A M T 3 S+ 0 0 101 2,-0.1 -13,-0.1 -3,-0.1 -2,-0.1 0.107 112.3 81.2 83.3 -15.1 216.6 -45.3 23.5 72 72 A c < + 0 0 0 -3,-2.1 2,-0.6 -8,-0.1 -3,-0.3 -0.058 60.8 105.4-113.5 31.1 215.4 -42.6 26.0 73 73 A V + 0 0 83 -5,-0.1 2,-0.2 -7,-0.0 -2,-0.1 -0.951 49.3 105.7-112.8 114.5 211.8 -43.6 26.1 74 74 A G - 0 0 42 -2,-0.6 2,-0.3 -9,-0.1 45,-0.2 -0.781 67.0 -30.5-160.7-157.6 210.9 -45.3 29.4 75 75 A V - 0 0 102 -2,-0.2 -19,-0.4 43,-0.1 -18,-0.2 -0.588 38.5-164.4 -83.7 132.0 209.2 -45.1 32.8 76 76 A T - 0 0 17 -2,-0.3 41,-0.6 41,-0.3 -22,-0.2 -0.844 21.8-145.7-115.4 91.9 209.1 -41.8 34.5 77 77 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 40,-0.0 -0.087 16.4-108.0 -58.6 151.8 208.2 -42.5 38.1 78 78 A S + 0 0 36 38,-0.1 2,-0.3 2,-0.0 38,-0.2 -0.464 40.2 176.6 -76.6 154.2 206.0 -40.2 40.3 79 79 A A - 0 0 5 36,-1.6 -30,-0.1 -2,-0.1 3,-0.1 -0.958 34.6-154.6-161.6 139.6 207.6 -38.2 43.1 80 80 A K S S+ 0 0 126 -32,-0.8 200,-3.0 -2,-0.3 2,-0.3 0.474 91.4 43.8 -95.3 -4.1 206.5 -35.6 45.6 81 81 A A E -mn 49 280G 1 -33,-1.2 -31,-3.2 198,-0.3 2,-0.3 -0.998 69.7-176.2-139.1 140.6 210.1 -34.3 45.8 82 82 A S E -mn 50 281G 0 198,-3.4 200,-1.6 -2,-0.3 2,-0.5 -0.974 20.1-136.5-138.2 150.2 212.6 -33.6 43.1 83 83 A I E - n 0 282G 0 -33,-2.5 2,-1.0 -2,-0.3 200,-0.2 -0.926 11.7-149.1-107.3 123.6 216.2 -32.5 42.7 84 84 A L E + n 0 283G 7 198,-2.7 200,-1.7 -2,-0.5 3,-0.1 -0.797 30.3 160.1 -91.1 102.2 217.1 -29.9 40.0 85 85 A H + 0 0 43 -2,-1.0 2,-0.5 -34,-0.2 -1,-0.2 0.570 59.4 56.2-103.2 -12.7 220.6 -30.9 39.0 86 86 A E + 0 0 35 1,-0.1 -1,-0.2 199,-0.1 23,-0.1 -0.912 48.5 177.6-125.1 104.9 220.8 -29.2 35.6 87 87 A V S S+ 0 0 60 -2,-0.5 -1,-0.1 1,-0.3 327,-0.1 0.806 94.8 29.8 -70.6 -29.0 220.2 -25.4 35.5 88 88 A R S S- 0 0 89 -3,-0.1 -1,-0.3 18,-0.0 18,-0.1 -0.716 91.5-153.5-129.3 82.1 221.0 -25.7 31.7 89 89 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.267 11.3-155.3 -58.3 134.3 220.0 -29.2 30.6 90 90 A V - 0 0 53 2,-0.0 -27,-0.5 9,-0.0 -26,-0.4 -0.726 10.2-126.8-109.4 158.7 221.9 -30.6 27.6 91 91 A T - 0 0 6 -2,-0.3 145,-0.1 -28,-0.2 -29,-0.1 -0.617 11.1-163.5 -92.0 163.6 221.1 -33.2 25.0 92 92 A S - 0 0 48 -2,-0.2 2,-0.3 -31,-0.1 144,-0.2 -0.091 62.1 -3.8-140.1 39.0 223.5 -36.1 24.3 93 93 A G S S+ 0 0 2 142,-1.4 144,-0.3 2,-0.1 50,-0.1 -0.992 80.7 66.8 167.2-170.2 222.3 -37.5 20.9 94 94 A d S S- 0 0 0 48,-0.9 143,-1.6 -2,-0.3 144,-0.2 -0.007 91.4 -6.6 58.0-162.9 219.9 -37.4 18.0 95 95 A F S S- 0 0 2 141,-0.2 -2,-0.1 1,-0.1 149,-0.1 -0.345 84.2 -94.6 -70.8 139.2 219.6 -34.6 15.4 96 96 A P - 0 0 1 0, 0.0 149,-1.9 0, 0.0 2,-0.4 -0.232 43.6-161.5 -57.0 130.6 221.5 -31.3 16.0 97 97 A I B -o 245 0H 9 137,-0.6 2,-1.2 147,-0.2 149,-0.2 -0.917 24.9-140.7-117.7 138.4 219.4 -28.6 17.8 98 98 A M > + 0 0 17 147,-2.1 3,-1.4 -2,-0.4 149,-0.2 -0.689 35.4 177.2 -89.8 79.0 219.9 -24.9 18.1 99 99 A H G > + 0 0 7 -2,-1.2 3,-1.8 1,-0.3 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