==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-FEB-11 3QQO . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.XU,I.A.WILSON . 1482 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 276 18.6 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 147 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 18.9 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 1 0 3 2 8 0 0 1 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 11 9 5 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 . 20 18 13 6 2 8 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 . 10 5 6 3 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 9 A P 0 0 156 0, 0.0 465,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.2 -6.1 52.2 34.1 2 10 A G - 0 0 24 2,-0.0 462,-0.1 462,-0.0 464,-0.1 0.224 360.0-131.0 138.7 93.4 -6.0 49.7 31.2 3 11 A D - 0 0 9 460,-0.3 460,-4.1 459,-0.1 2,-0.3 -0.111 25.0-153.8 -62.0 159.3 -7.4 46.2 31.2 4 12 A Q E -A 462 0A 61 458,-0.3 346,-1.6 346,-0.2 2,-0.3 -0.922 17.8-162.3-135.9 159.2 -5.4 43.2 30.0 5 13 A I E -AB 461 349A 0 456,-1.5 456,-1.3 -2,-0.3 2,-0.3 -0.983 20.8-161.9-139.1 130.8 -5.8 39.7 28.6 6 14 A a E -AB 460 348A 7 342,-2.4 342,-1.0 -2,-0.3 2,-0.5 -0.781 13.0-143.6-119.7 158.6 -2.9 37.2 28.7 7 15 A I E + B 0 347A 2 452,-1.7 2,-0.2 -2,-0.3 340,-0.2 -0.978 35.3 144.7-121.8 125.9 -1.9 34.0 26.9 8 16 A G E - B 0 346A 0 338,-0.9 338,-2.5 -2,-0.5 2,-0.3 -0.840 36.0-111.2-148.4-176.9 -0.2 31.2 28.8 9 17 A Y E - B 0 345A 0 326,-0.4 328,-2.5 -2,-0.2 336,-0.3 -0.888 35.4 -91.6-127.7 157.3 0.3 27.5 29.3 10 18 A H B +e 337 0B 25 334,-3.3 2,-0.3 -2,-0.3 328,-0.2 0.001 42.3 177.5 -53.9 163.1 -0.5 24.8 31.9 11 19 A A + 0 0 2 326,-0.6 2,-0.3 329,-0.5 309,-0.1 -0.961 3.5 166.8-160.3 165.0 2.0 23.9 34.6 12 20 A N - 0 0 39 -2,-0.3 2,-0.1 2,-0.1 326,-0.1 -0.918 49.9 -77.9-162.5-169.8 2.1 21.6 37.6 13 21 A N S S+ 0 0 153 -2,-0.3 2,-0.1 325,-0.1 16,-0.0 -0.192 75.7 135.7 -97.4 41.4 4.2 19.9 40.4 14 22 A S - 0 0 26 -2,-0.1 -2,-0.1 1,-0.1 16,-0.1 -0.415 37.7-174.2 -87.9 163.3 5.6 17.2 38.1 15 23 A T + 0 0 118 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 0.231 31.8 142.1-139.0 8.3 9.2 15.9 37.8 16 24 A E - 0 0 91 12,-0.4 12,-1.9 13,-0.1 2,-0.7 -0.395 39.2-155.5 -54.2 109.1 8.9 13.5 34.9 17 25 A K E +F 27 0C 82 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.834 16.6 177.2-100.9 109.8 12.3 14.2 33.2 18 26 A V E -F 26 0C 0 8,-1.7 8,-1.5 -2,-0.7 2,-0.3 -0.523 19.5-129.5 -97.4 170.4 12.4 13.4 29.4 19 27 A D - 0 0 38 294,-0.5 2,-0.3 -2,-0.2 5,-0.2 -0.854 17.9-169.1-121.0 158.1 15.4 13.9 27.0 20 28 A T - 0 0 0 3,-2.2 405,-0.2 -2,-0.3 404,-0.1 -0.923 40.0-101.8-138.4 165.1 15.7 15.6 23.6 21 29 A I S S+ 0 0 6 403,-0.4 852,-0.3 -2,-0.3 851,-0.1 0.890 122.9 31.1 -50.2 -41.9 18.3 15.9 20.8 22 30 A L S S+ 0 0 12 1,-0.2 2,-0.3 402,-0.1 847,-0.3 0.683 126.0 26.9 -95.2 -20.2 19.3 19.3 22.1 23 31 A E - 0 0 75 846,-0.1 -3,-2.2 847,-0.1 3,-0.3 -1.000 59.6-153.8-153.0 137.6 18.7 19.2 25.8 24 32 A R S S+ 0 0 79 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.675 73.6 29.6-109.0 165.6 18.7 16.6 28.6 25 33 A N S S+ 0 0 111 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.797 73.6 170.6 58.1 30.9 16.9 16.5 32.0 26 34 A V E -F 18 0C 4 -8,-1.5 -8,-1.7 -3,-0.3 2,-0.4 -0.621 28.8-136.8 -72.0 123.5 14.0 18.6 30.7 27 35 A T E +F 17 0C 39 -2,-0.4 293,-1.9 -10,-0.2 2,-0.3 -0.687 31.1 175.9 -82.4 131.7 11.1 18.7 33.3 28 36 A V B -G 319 0D 0 -12,-1.9 -12,-0.4 -2,-0.4 291,-0.2 -0.824 39.2-115.7-133.7 172.6 7.7 18.3 31.6 29 37 A T S S+ 0 0 9 289,-2.1 2,-0.3 -2,-0.3 -13,-0.1 0.850 91.3 2.3 -82.8 -35.6 4.1 18.0 32.7 30 38 A H + 0 0 112 288,-0.3 286,-2.2 -14,-0.1 287,-2.1 -0.996 61.7 177.1-154.0 149.7 3.4 14.5 31.6 31 39 A A E -H 315 0E 10 -2,-0.3 2,-0.4 284,-0.3 284,-0.2 -0.997 19.3-140.5-153.9 145.7 5.2 11.6 29.9 32 40 A K E -H 314 0E 93 282,-0.8 282,-1.6 -2,-0.3 2,-0.5 -0.867 17.0-140.8-104.4 143.4 4.6 8.0 28.8 33 41 A D E -H 313 0E 43 -2,-0.4 280,-0.2 280,-0.2 257,-0.1 -0.911 15.3-176.5-101.9 130.5 7.2 5.3 29.2 34 42 A I + 0 0 1 278,-2.5 258,-1.4 -2,-0.5 2,-0.8 0.147 56.0 97.9-110.4 17.5 7.5 2.8 26.3 35 43 A L E -i 292 0F 2 277,-0.3 2,-0.3 256,-0.1 258,-0.2 -0.830 63.3-152.4-108.8 94.7 10.1 0.6 27.8 36 44 A E E +i 293 0F 24 256,-2.3 258,-1.5 -2,-0.8 259,-0.5 -0.474 31.5 154.7 -59.1 123.3 8.5 -2.5 29.4 37 45 A K + 0 0 79 -2,-0.3 2,-0.4 256,-0.2 -1,-0.1 0.105 40.1 90.9-142.8 25.2 10.8 -3.6 32.2 38 46 A T + 0 0 94 249,-0.0 249,-0.4 2,-0.0 2,-0.2 -0.987 44.7 177.7-130.8 127.0 8.5 -5.4 34.6 39 47 A H - 0 0 84 -2,-0.4 247,-0.2 247,-0.1 245,-0.1 -0.558 34.2-121.2-112.9-178.7 7.7 -9.1 34.7 40 48 A N - 0 0 75 245,-0.9 244,-0.1 2,-0.2 246,-0.1 0.425 35.6-125.8-108.1 -0.1 5.6 -11.2 37.1 41 49 A G S S+ 0 0 43 244,-0.2 2,-0.5 1,-0.2 243,-0.1 0.340 75.5 109.6 76.8 -8.4 8.1 -13.7 38.3 42 50 A K - 0 0 89 243,-0.1 243,-0.5 228,-0.1 2,-0.5 -0.881 67.6-135.2-107.7 126.4 6.0 -16.6 37.3 43 51 A L B -k 272 0G 10 228,-0.6 230,-2.3 -2,-0.5 2,-0.2 -0.679 43.7-174.8 -72.6 125.3 6.7 -19.0 34.5 44 52 A b - 0 0 0 -2,-0.5 232,-0.2 228,-0.2 230,-0.1 -0.667 28.8 -79.5-125.9 169.9 3.3 -19.3 32.9 45 53 A K - 0 0 41 230,-2.7 2,-0.6 228,-0.3 232,-0.4 -0.289 43.5-129.4 -64.6 158.9 1.3 -21.1 30.2 46 53AA L B > S-L 49 0H 2 3,-1.7 3,-0.7 1,-0.2 232,-0.2 -0.887 83.0 -18.1-123.3 100.9 1.8 -19.7 26.7 47 54 A N T 3 S- 0 0 75 230,-1.4 -1,-0.2 -2,-0.6 2,-0.1 0.796 123.8 -62.5 69.2 30.2 -1.4 -18.9 24.8 48 55 A G T 3 S+ 0 0 36 229,-0.2 -1,-0.2 1,-0.2 -3,-0.1 -0.102 119.7 103.7 91.5 -35.4 -3.2 -21.1 27.3 49 56 A I B < -L 46 0H 34 -3,-0.7 -3,-1.7 -2,-0.1 30,-0.2 -0.724 68.6-135.2 -87.1 123.2 -1.3 -24.3 26.3 50 57 A P - 0 0 31 0, 0.0 29,-1.5 0, 0.0 30,-0.4 -0.101 13.9 -97.6 -82.4 170.1 1.3 -25.1 29.0 51 58 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 30,-0.2 -0.608 34.7-111.9 -82.1 144.1 5.0 -26.1 28.9 52 59 A L E -m 81 0I 2 28,-1.7 30,-2.4 -2,-0.3 2,-0.5 -0.590 37.6-141.8 -63.3 135.5 6.1 -29.7 29.2 53 60 A E E +m 82 0I 57 -2,-0.3 20,-0.5 20,-0.2 30,-0.1 -0.926 25.9 176.3-115.6 122.3 7.9 -29.8 32.5 54 61 A L > - 0 0 0 28,-0.6 3,-2.3 -2,-0.5 -1,-0.1 0.485 15.2-167.9-106.8 -5.2 11.0 -32.0 32.9 55 62 A G T 3 S- 0 0 33 1,-0.3 29,-0.8 215,-0.1 -1,-0.2 -0.264 73.9 -13.8 56.1-130.7 12.2 -31.3 36.5 56 63 A D T 3 S+ 0 0 55 12,-0.2 33,-2.6 31,-0.1 32,-1.2 0.172 120.3 98.9 -90.1 19.4 15.7 -32.6 37.1 57 64 A c B < -o 89 0J 4 -3,-2.3 27,-0.4 31,-0.2 2,-0.3 -0.635 65.6-132.3-105.6 162.8 15.5 -34.6 33.9 58 65 A S > - 0 0 17 31,-2.0 4,-2.1 -2,-0.2 5,-0.2 -0.799 32.0-107.0-109.8 153.9 16.8 -34.1 30.3 59 66 A I H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 120.9 48.3 -42.6 -48.8 14.8 -34.6 27.1 60 67 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.972 109.9 47.2 -61.6 -58.8 16.8 -37.8 26.5 61 68 A G H >>S+ 0 0 0 1,-0.2 5,-3.9 2,-0.2 4,-0.9 0.766 114.5 54.2 -52.6 -24.6 16.4 -39.4 29.9 62 69 A W H <5S+ 0 0 38 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.961 111.0 39.3 -75.3 -55.1 12.8 -38.4 29.5 63 70 A L H <5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.915 121.2 44.2 -62.2 -46.6 12.1 -40.1 26.2 64 71 A L H <5S- 0 0 0 -4,-2.8 83,-1.5 -5,-0.2 84,-0.3 0.852 115.9-119.3 -66.2 -34.0 14.2 -43.2 27.0 65 72 A G T <5 - 0 0 3 -4,-0.9 81,-2.5 -5,-0.5 -3,-0.2 0.914 26.9-161.3 90.2 58.9 12.6 -43.3 30.5 66 73 A N > < - 0 0 7 -5,-3.9 3,-3.4 79,-0.2 4,-0.2 -0.676 30.2-122.2 -68.8 116.0 15.4 -42.9 33.0 67 74 A P G > S+ 0 0 17 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.700 110.5 66.0 -31.8 -45.1 13.6 -44.2 36.1 68 75 A E G 3 S+ 0 0 117 1,-0.3 3,-0.2 2,-0.1 -12,-0.2 0.546 100.3 55.7 -56.8 -6.2 14.2 -40.9 38.0 69 76 A c G X S+ 0 0 7 -3,-3.4 3,-1.5 -8,-0.2 -1,-0.3 0.397 71.5 98.1-109.6 -1.4 11.8 -39.4 35.4 70 77 A D T < S+ 0 0 72 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.577 76.4 66.6 -69.8 -5.3 8.8 -41.6 35.8 71 78 A R T 3 S+ 0 0 204 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.105 75.8 116.7-102.6 22.5 7.3 -38.9 38.0 72 79 A L S < S- 0 0 31 -3,-1.5 2,-0.3 1,-0.1 -18,-0.1 -0.552 74.4-100.9 -86.2 155.7 6.9 -36.4 35.2 73 80 A L - 0 0 119 -20,-0.5 2,-0.9 -2,-0.2 -20,-0.2 -0.587 26.2-139.9 -79.1 136.9 3.6 -35.1 34.0 74 81 A S + 0 0 112 -2,-0.3 -1,-0.1 -22,-0.1 -22,-0.0 -0.419 30.1 173.3-101.4 59.8 2.3 -36.7 30.8 75 81AA V - 0 0 29 -2,-0.9 3,-0.1 1,-0.1 -23,-0.0 -0.338 27.1-150.7 -62.9 143.2 0.7 -33.8 28.9 76 82 A P S S+ 0 0 76 0, 0.0 37,-1.0 0, 0.0 2,-0.3 0.311 81.4 28.8 -96.8 4.9 -0.4 -34.5 25.4 77 83 A E + 0 0 68 35,-0.2 2,-0.3 -26,-0.0 34,-0.2 -0.880 65.2 164.3-166.3 129.5 0.2 -31.0 24.2 78 84 A W B -P 110 0K 0 32,-1.1 32,-1.2 -2,-0.3 3,-0.1 -0.936 30.8-145.8-146.5 170.5 2.6 -28.2 25.1 79 85 A S S S- 0 0 3 -29,-1.5 185,-0.3 1,-0.4 2,-0.3 0.570 81.1 -1.5-117.8 -20.2 3.9 -24.9 23.8 80 86 A Y S S- 0 0 0 -30,-0.4 -28,-1.7 183,-0.1 2,-0.5 -0.969 70.2-110.3-161.2 171.7 7.5 -24.9 25.1 81 87 A I E -mn 52 265I 0 183,-1.3 185,-3.5 -2,-0.3 2,-0.3 -0.919 17.6-153.8-114.9 127.8 9.8 -27.0 27.2 82 88 A M E +mn 53 266I 4 -30,-2.4 -28,-0.6 -2,-0.5 2,-0.3 -0.728 27.9 156.0 -92.1 149.9 11.1 -26.2 30.6 83 89 A E E - n 0 267I 6 183,-1.4 185,-1.8 -2,-0.3 -27,-0.1 -0.876 40.8-106.6-174.2 136.7 14.5 -27.7 31.6 84 90 A K - 0 0 41 -29,-0.8 185,-0.1 -27,-0.4 183,-0.0 -0.206 35.7-110.8 -67.7 160.9 17.3 -27.0 34.0 85 91 A E S S+ 0 0 99 1,-0.3 -1,-0.1 182,-0.1 182,-0.0 0.964 110.7 10.9 -56.3 -54.9 20.6 -25.7 32.7 86 92 A N S S- 0 0 146 -28,-0.0 -1,-0.3 181,-0.0 -28,-0.1 -0.643 88.0-153.0-127.9 77.7 22.5 -29.0 33.5 87 93 A P - 0 0 34 0, 0.0 -30,-0.2 0, 0.0 3,-0.1 0.043 9.5-143.2 -51.0 154.2 19.9 -31.7 34.4 88 94 A R S S+ 0 0 167 -32,-1.2 2,-0.8 1,-0.2 -31,-0.2 0.861 82.4 57.5 -85.6 -41.9 20.9 -34.6 36.7 89 95 A D B +o 57 0J 17 -33,-2.6 -31,-2.0 -21,-0.1 -1,-0.2 -0.828 66.5 106.3-108.9 102.6 18.9 -37.4 35.1 90 95AA G S S+ 0 0 14 -2,-0.8 2,-1.9 -33,-0.2 3,-0.2 -0.065 81.8 10.4-130.1-121.8 19.6 -38.2 31.5 91 96 A L - 0 0 40 1,-0.2 4,-0.1 -2,-0.1 -1,-0.1 -0.469 64.6-176.5 -65.7 87.1 21.4 -41.2 30.0 92 97 A d S S+ 0 0 11 -2,-1.9 -1,-0.2 1,-0.1 45,-0.1 0.919 81.1 51.2 -56.0 -46.2 21.7 -43.0 33.3 93 98 A Y S S- 0 0 0 -3,-0.2 134,-0.2 43,-0.1 -1,-0.1 -0.878 115.0-109.0 -87.9 118.7 23.7 -45.7 31.5 94 99 A P + 0 0 6 0, 0.0 133,-1.4 0, 0.0 2,-0.3 0.119 66.0 97.7 -57.3 161.0 26.3 -43.4 29.8 95 100 A G E -q 227 0L 26 131,-0.3 2,-0.3 605,-0.2 133,-0.2 -0.971 57.5 -81.5 164.3-148.2 26.3 -42.8 26.1 96 101 A S E -q 228 0L 46 131,-2.1 133,-2.5 -2,-0.3 2,-0.4 -0.930 17.8-138.4-152.4 171.5 25.3 -40.4 23.3 97 102 A F E > -q 229 0L 21 -2,-0.3 3,-0.9 131,-0.2 133,-0.2 -0.945 22.6-132.1-145.3 111.9 22.3 -39.3 21.2 98 103 A N T 3 S+ 0 0 54 131,-2.7 133,-0.1 -2,-0.4 5,-0.1 -0.412 86.8 0.8 -76.6 141.5 22.6 -38.6 17.5 99 104 A D T 3> S+ 0 0 84 -2,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.895 85.4 159.5 49.6 44.0 21.0 -35.4 16.0 100 105 A Y H <> + 0 0 36 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.879 62.7 50.7 -65.5 -41.6 20.0 -34.7 19.6 101 106 A E H > S+ 0 0 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