==== 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/IMMUNE SYSTEM 20-FEB-09 3GBN . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/BREVIG . AUTHOR D.C.EKIERT,M.A.ELSLIGER,I.A.WILSON . 812 10 9 7 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 3 3 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 PARALLEL BRIDGES PER LADDER . 9 7 12 3 1 10 2 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 . 4 4 4 1 1 1 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 7 A A 0 0 13 0, 0.0 4,-0.1 0, 0.0 498,-0.1 0.000 360.0 360.0 360.0 121.1 -82.9 -1.8 -4.3 2 8 A D + 0 0 104 496,-0.1 469,-0.1 469,-0.1 468,-0.1 -0.688 360.0 16.3 -60.3 -45.9 -83.2 0.3 -6.3 3 9 A P S S- 0 0 72 0, 0.0 467,-0.1 0, 0.0 -1,-0.1 0.542 101.1-118.7 -75.9 -6.3 -79.3 0.2 -7.0 4 10 A G + 0 0 27 465,-0.4 466,-0.1 1,-0.2 2,-0.1 0.681 46.8 167.0 85.7 21.4 -78.6 -3.2 -5.4 5 11 A D - 0 0 7 466,-0.2 464,-2.1 464,-0.2 2,-0.3 -0.410 15.7-171.6 -67.7 147.5 -76.2 -2.4 -2.6 6 12 A T E -AB 356 468A 20 350,-2.0 350,-2.0 462,-0.2 2,-0.3 -0.965 24.8-165.2-141.9 150.2 -75.7 -5.2 -0.1 7 13 A I E -AB 355 467A 0 460,-2.2 460,-3.3 -2,-0.3 2,-0.3 -0.989 15.3-168.5-131.9 141.7 -74.1 -6.1 3.1 8 14 A a E -AB 354 466A 11 346,-2.8 346,-2.1 -2,-0.3 2,-0.4 -0.947 14.9-139.5-131.5 145.6 -73.6 -9.7 4.3 9 15 A I E +A 353 0A 1 456,-2.2 2,-0.3 -2,-0.3 344,-0.2 -0.872 38.7 145.8-102.2 138.7 -72.7 -11.2 7.6 10 16 A G E -A 352 0A 0 342,-2.7 342,-2.3 -2,-0.4 2,-0.3 -0.873 36.0-113.5-161.2-174.0 -70.3 -14.1 7.7 11 17 A Y E -A 351 0A 0 330,-0.4 332,-2.3 -2,-0.3 340,-0.3 -0.915 35.4 -88.1-138.4 160.1 -67.5 -16.0 9.3 12 18 A H B +e 343 0B 12 338,-2.4 313,-0.3 -2,-0.3 2,-0.3 -0.375 35.7 176.7 -70.2 140.9 -63.8 -16.8 8.7 13 19 A A + 0 0 0 330,-1.4 2,-0.3 333,-0.2 333,-0.2 -0.935 5.0 169.1-130.5 164.8 -62.5 -19.8 6.8 14 20 A N - 0 0 31 -2,-0.3 330,-0.1 2,-0.2 328,-0.1 -0.852 49.6 -88.0-154.8-172.7 -58.9 -20.7 5.9 15 21 A N S S+ 0 0 151 -2,-0.3 16,-0.0 329,-0.1 309,-0.0 0.207 71.9 136.3 -92.0 19.6 -56.9 -23.6 4.6 16 22 A S - 0 0 22 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.352 33.6-171.1 -65.2 144.5 -56.3 -25.2 8.0 17 23 A T + 0 0 119 14,-0.1 2,-0.1 12,-0.1 -1,-0.1 0.283 41.1 124.5-119.9 8.5 -56.7 -29.1 7.9 18 24 A D - 0 0 70 12,-0.3 12,-2.0 13,-0.1 2,-0.3 -0.446 45.0-155.2 -66.9 145.2 -56.5 -29.8 11.7 19 25 A T E -F 29 0C 33 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.850 11.3-165.3-125.1 152.2 -59.5 -31.7 13.1 20 26 A V E -F 28 0C 0 8,-1.9 8,-3.3 -2,-0.3 2,-0.4 -0.891 18.3-126.8-130.8 157.7 -61.1 -32.0 16.5 21 27 A D - 0 0 45 296,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.872 23.0-177.4-104.6 145.4 -63.6 -34.4 17.9 22 28 A T - 0 0 6 3,-2.9 409,-0.1 -2,-0.4 408,-0.1 -0.685 41.8-101.8-118.9-172.6 -66.8 -33.5 19.6 23 29 A V S S+ 0 0 85 407,-0.5 3,-0.1 -2,-0.2 408,-0.1 0.882 121.7 38.0 -80.0 -38.4 -69.5 -35.7 21.2 24 30 A L S S+ 0 0 143 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.666 126.9 24.2 -85.3 -18.5 -71.8 -35.5 18.3 25 31 A E - 0 0 81 3,-0.0 -3,-2.9 0, 0.0 3,-0.3 -0.985 63.7-146.2-158.6 124.8 -69.2 -35.6 15.5 26 32 A K S S+ 0 0 164 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.686 76.8 19.7 -92.5 157.4 -65.7 -36.8 14.9 27 33 A N S S+ 0 0 110 -2,-0.3 2,-0.6 1,-0.2 -6,-0.2 0.919 71.1 176.7 59.1 55.3 -63.0 -35.3 12.8 28 34 A V E -F 20 0C 3 -8,-3.3 -8,-1.9 -3,-0.3 2,-0.5 -0.835 27.6-132.9 -96.8 119.9 -64.4 -31.8 12.4 29 35 A T E -F 19 0C 56 -2,-0.6 295,-2.9 -10,-0.2 2,-0.3 -0.622 31.1-173.0 -72.2 120.5 -62.1 -29.4 10.5 30 36 A V B -G 323 0D 0 -12,-2.0 -12,-0.3 -2,-0.5 293,-0.2 -0.795 32.3-126.5-115.2 165.8 -61.7 -26.2 12.4 31 37 A T S S+ 0 0 3 291,-2.4 2,-0.3 -2,-0.3 292,-0.1 0.803 94.2 11.5 -80.1 -33.4 -60.0 -22.8 11.6 32 38 A H S S+ 0 0 25 290,-0.2 289,-2.3 -16,-0.1 288,-2.1 -0.994 70.3 152.7-147.2 146.0 -57.9 -22.7 14.7 33 39 A S E -H 319 0E 21 -2,-0.3 2,-0.4 286,-0.3 286,-0.2 -0.964 27.0-133.5-165.3 165.9 -57.0 -25.3 17.4 34 40 A V E -H 318 0E 22 284,-2.5 284,-2.7 -2,-0.3 2,-0.5 -0.995 15.7-129.3-134.1 143.9 -54.3 -26.2 20.0 35 41 A N E -H 317 0E 55 -2,-0.4 282,-0.2 282,-0.2 -2,-0.0 -0.802 17.3-175.5 -91.5 127.7 -52.7 -29.4 20.9 36 42 A L + 0 0 1 280,-2.5 260,-1.7 -2,-0.5 2,-0.6 0.484 59.3 86.6 -96.0 -5.7 -52.6 -30.2 24.6 37 43 A L E -i 296 0F 3 279,-0.4 2,-0.5 258,-0.1 260,-0.2 -0.859 61.3-154.0-115.2 114.3 -50.6 -33.3 24.4 38 44 A E E +i 297 0F 33 258,-3.1 260,-1.8 -2,-0.6 261,-0.4 -0.695 23.4 161.9 -86.1 125.2 -46.7 -33.5 24.3 39 45 A D + 0 0 93 -2,-0.5 2,-0.4 258,-0.2 -1,-0.1 0.169 46.8 88.7-125.7 18.4 -45.5 -36.6 22.6 40 46 A S + 0 0 73 251,-0.0 251,-0.3 2,-0.0 2,-0.3 -0.946 41.4 167.7-123.5 143.9 -41.8 -35.6 21.9 41 47 A H - 0 0 80 -2,-0.4 249,-0.2 249,-0.1 243,-0.0 -0.879 40.8-118.1-142.3 165.7 -38.6 -35.9 24.0 42 48 A N - 0 0 71 247,-1.8 246,-0.1 -2,-0.3 248,-0.1 0.269 41.4-122.3 -96.9 7.5 -35.0 -35.5 23.1 43 49 A G S S+ 0 0 29 246,-0.2 2,-0.3 1,-0.2 245,-0.2 0.591 76.0 103.9 69.2 12.5 -33.9 -39.1 23.8 44 50 A K S S- 0 0 84 230,-0.2 245,-0.7 245,-0.1 2,-0.5 -0.817 71.5-123.0-123.2 161.6 -31.3 -38.0 26.4 45 51 A L E -k 276 0G 0 230,-2.7 232,-2.1 -2,-0.3 2,-0.2 -0.938 44.2-175.3-102.8 124.5 -30.8 -37.9 30.2 46 52 A b E - 0 0 0 -2,-0.5 234,-0.2 230,-0.2 2,-0.2 -0.626 25.8 -91.0-121.7 167.5 -30.1 -34.3 31.1 47 53 A K E -k 280 0G 50 232,-2.3 234,-2.2 230,-0.2 2,-0.4 -0.490 27.4-148.2 -69.4 151.0 -29.3 -32.2 34.1 48 54 A L B > S-L 51 0H 20 3,-2.1 3,-1.8 232,-0.2 234,-0.1 -0.996 83.4 -4.7-119.5 131.6 -31.9 -30.5 36.3 49 54AA K T 3 S- 0 0 197 232,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.831 132.0 -58.6 53.1 36.4 -30.9 -27.2 37.9 50 55 A G T 3 S+ 0 0 48 1,-0.2 2,-0.5 231,-0.2 -1,-0.3 0.525 112.2 123.5 73.9 6.3 -27.4 -27.6 36.4 51 56 A I B < -L 48 0H 68 -3,-1.8 -3,-2.1 29,-0.0 -1,-0.2 -0.893 55.3-138.6-107.6 126.3 -26.9 -30.9 38.3 52 57 A A - 0 0 45 -2,-0.5 29,-1.1 -5,-0.2 30,-0.3 -0.398 24.0-111.6 -72.5 149.1 -26.1 -34.1 36.4 53 58 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.242 31.5-105.9 -67.4 172.7 -27.7 -37.3 37.4 54 59 A L E -m 83 0I 15 28,-2.9 30,-3.0 23,-0.0 2,-0.8 -0.930 31.1-156.3-102.2 116.8 -25.7 -40.1 39.0 55 60 A Q E -m 84 0I 66 -2,-0.6 3,-0.1 28,-0.2 30,-0.1 -0.844 13.2-176.7 -98.3 107.2 -25.2 -42.8 36.4 56 61 A L E > + 0 0 4 28,-2.3 3,-2.6 -2,-0.8 -1,-0.2 0.680 21.5 173.7 -79.3 -22.6 -24.5 -46.1 38.2 57 62 A G E 3 +m 85 0I 20 27,-0.5 29,-0.7 1,-0.3 -1,-0.2 -0.246 69.2 10.1 65.8-118.2 -24.0 -47.7 34.8 58 63 A K T 3 S+ 0 0 113 31,-0.2 33,-2.1 -3,-0.1 32,-1.9 0.687 125.2 74.3 -69.3 -16.6 -22.8 -51.3 35.3 59 64 A c B < -o 91 0J 1 -3,-2.6 27,-0.3 30,-0.2 2,-0.2 -0.560 66.8-147.5 -98.0 158.9 -23.6 -51.0 39.1 60 65 A N > - 0 0 32 31,-1.2 4,-2.2 -2,-0.2 5,-0.2 -0.591 43.3 -86.3-114.4 178.6 -26.8 -51.0 41.1 61 66 A I H > S+ 0 0 0 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.859 126.7 52.2 -59.8 -36.6 -27.6 -49.2 44.3 62 67 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.915 109.4 47.1 -67.9 -46.3 -26.2 -52.0 46.5 63 68 A G H >>S+ 0 0 0 28,-0.3 5,-1.9 1,-0.2 4,-1.2 0.825 113.8 52.2 -62.8 -33.6 -22.8 -52.2 44.6 64 69 A W H <5S+ 0 0 10 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.959 114.6 36.5 -66.7 -53.7 -22.7 -48.4 44.9 65 70 A L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.892 121.1 45.2 -74.5 -39.3 -23.3 -48.0 48.7 66 71 A L H <5S- 0 0 0 -4,-2.3 85,-1.6 -5,-0.2 86,-0.6 0.835 112.4-120.6 -69.1 -35.4 -21.3 -51.1 49.8 67 72 A G T <5 - 0 0 2 -4,-1.2 83,-2.4 -5,-0.4 -3,-0.2 0.838 28.5-160.4 92.7 40.9 -18.5 -50.1 47.4 68 73 A N > < - 0 0 5 -5,-1.9 3,-2.1 81,-0.2 -1,-0.1 -0.225 26.4-121.0 -40.9 133.9 -18.2 -53.1 45.1 69 74 A P G > S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.724 112.0 61.3 -62.0 -27.5 -14.7 -53.0 43.5 70 75 A E G 3 S+ 0 0 87 1,-0.2 3,-0.2 2,-0.1 -12,-0.1 0.428 98.6 60.3 -71.5 -3.7 -16.3 -52.8 39.9 71 76 A c G X + 0 0 6 -3,-2.1 3,-3.3 -8,-0.2 4,-0.3 0.155 60.5 124.4-112.7 19.2 -17.9 -49.5 41.0 72 77 A D G X + 0 0 46 -3,-0.8 3,-1.4 1,-0.3 4,-0.3 0.753 64.6 70.0 -56.3 -30.7 -14.8 -47.5 41.8 73 78 A L G 3 S+ 0 0 165 1,-0.2 3,-0.4 -3,-0.2 -1,-0.3 0.761 96.3 55.3 -50.1 -27.8 -16.0 -44.8 39.3 74 79 A L G X S+ 0 0 16 -3,-3.3 3,-1.6 1,-0.2 -1,-0.2 0.621 79.9 91.5 -85.9 -10.6 -18.7 -44.0 41.9 75 80 A L T < S+ 0 0 60 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.811 88.1 45.8 -59.0 -35.9 -16.4 -43.3 44.8 76 81 A T T 3 S+ 0 0 132 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.3 0.527 83.6 116.6 -87.9 -7.8 -16.1 -39.6 44.2 77 82 A A < + 0 0 22 -3,-1.6 3,-0.1 1,-0.2 -23,-0.0 -0.460 24.1 153.3 -63.5 125.3 -19.9 -39.0 43.6 78 83 A S + 0 0 66 1,-0.3 37,-2.6 -2,-0.3 2,-0.3 0.529 60.1 25.8-128.0 -20.9 -21.3 -36.6 46.2 79 83AA S B +P 114 0K 66 35,-0.2 -1,-0.3 -26,-0.1 2,-0.3 -0.992 56.8 159.9-152.2 149.9 -24.3 -34.9 44.6 80 84 A W - 0 0 2 33,-2.2 3,-0.1 -2,-0.3 -28,-0.1 -0.957 40.2-131.3-157.3 158.5 -26.8 -35.6 41.8 81 85 A S S S- 0 0 14 -29,-1.1 2,-0.3 1,-0.4 187,-0.2 0.664 93.7 -11.2 -93.9 -25.4 -30.3 -34.5 40.5 82 86 A Y S S- 0 0 0 -30,-0.3 -28,-2.9 185,-0.2 2,-0.4 -0.960 70.1-114.8-160.0 170.8 -31.4 -38.1 40.1 83 87 A I E -mn 54 269I 0 185,-2.4 187,-2.9 -2,-0.3 2,-0.5 -0.944 25.6-157.3-115.3 134.6 -30.0 -41.6 40.2 84 88 A V E -mn 55 270I 0 -30,-3.0 -28,-2.3 -2,-0.4 -27,-0.5 -0.959 10.1-174.0-120.2 119.5 -30.0 -43.9 37.1 85 89 A E E -mn 57 271I 17 185,-2.6 187,-2.4 -2,-0.5 2,-0.2 -0.800 18.7-148.2 -96.5 152.8 -29.7 -47.6 36.9 86 90 A T > - 0 0 22 -29,-0.7 3,-1.6 -27,-0.3 187,-0.2 -0.635 33.1 -98.3-110.3 173.2 -29.4 -49.2 33.4 87 91 A S T 3 S+ 0 0 74 1,-0.3 186,-0.1 -2,-0.2 -29,-0.1 0.528 126.7 54.4 -69.2 -3.6 -30.7 -52.5 32.1 88 92 A N T 3 + 0 0 118 -31,-0.2 2,-1.6 -29,-0.1 3,-0.3 0.045 68.9 128.6-114.8 26.1 -27.1 -53.7 32.8 89 93 A S < + 0 0 16 -3,-1.6 -30,-0.2 1,-0.2 -31,-0.2 -0.615 26.9 129.7 -79.4 87.1 -26.9 -52.6 36.5 90 94 A E + 0 0 159 -32,-1.9 2,-1.3 -2,-1.6 -31,-0.2 0.590 31.3 95.9-120.8 -18.0 -25.7 -56.0 37.8 91 95 A N B +o 59 0J 46 -33,-2.1 -31,-1.2 -3,-0.3 -28,-0.3 -0.662 52.2 118.9 -79.5 93.9 -22.6 -55.4 40.0 92 95AA G S S+ 0 0 5 -2,-1.3 2,-1.0 1,-0.2 -24,-0.2 0.480 72.2 10.8-116.5 -99.8 -24.2 -55.3 43.5 93 96 A T - 0 0 45 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 -0.784 60.8-176.6 -87.4 102.6 -23.3 -57.8 46.3 94 97 A d S S+ 0 0 7 -2,-1.0 -1,-0.2 1,-0.2 47,-0.1 0.935 77.6 56.4 -70.1 -41.6 -20.3 -59.5 44.9 95 98 A Y S S- 0 0 9 -3,-0.1 -1,-0.2 1,-0.1 136,-0.1 -0.826 105.6-116.6 -85.6 116.6 -20.1 -61.9 47.9 96 99 A P + 0 0 9 0, 0.0 135,-3.1 0, 0.0 2,-0.2 0.071 62.1 94.5 -62.0 161.2 -23.6 -63.5 47.9 97 100 A G S S- 0 0 20 133,-0.3 2,-0.3 -4,-0.1 135,-0.2 -0.724 72.7 -55.5 137.3 173.2 -26.4 -63.2 50.6 98 101 A D - 0 0 109 -2,-0.2 135,-2.0 1,-0.0 2,-1.0 -0.616 31.8-141.5 -90.3 134.9 -29.5 -61.1 51.2 99 102 A F B > -q 233 0K 27 -2,-0.3 3,-1.2 133,-0.2 135,-0.2 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