==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 25-JUN-12 4FQK . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR C.DREYFUS,N.S.LAURSEN,I.A.WILSON . 1821 22 22 20 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 84537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1103 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 496 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.5 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 . 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 . 172 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.2 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 4 4 4 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 6 4 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 . 12 12 34 8 8 16 4 2 4 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 . 8 4 10 6 2 2 2 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 43 0, 0.0 453,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.8 -82.4 -42.4 26.7 2 2 A R E -A 453 0A 94 451,-0.2 344,-1.7 456,-0.0 2,-0.5 -0.859 360.0-163.5-107.1 132.1 -82.6 -43.9 30.2 3 3 A I E +AB 452 345A 8 449,-2.4 449,-1.7 -2,-0.4 342,-0.2 -0.959 18.5 172.8-117.5 115.6 -84.2 -42.4 33.2 4 4 A a E - B 0 344A 16 340,-1.1 340,-2.2 -2,-0.5 2,-0.4 -0.556 30.6-109.7-112.4 169.6 -83.4 -43.7 36.7 5 5 A T E B 0 343A 53 445,-0.3 338,-0.2 444,-0.2 428,-0.0 -0.880 360.0 360.0 -98.4 139.8 -84.0 -43.0 40.4 6 6 A G 0 0 78 336,-1.9 336,-2.4 -2,-0.4 444,-0.0 -0.977 360.0 360.0-145.6 360.0 -81.3 -41.8 42.8 7 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 8 10 A S 0 0 114 0, 0.0 328,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 178.9 -74.0 -43.3 50.4 9 11 A N - 0 0 131 326,-0.1 324,-0.1 1,-0.1 326,-0.0 -0.438 360.0-174.1 -62.5 123.8 -71.5 -43.8 53.3 10 12 A S + 0 0 3 -2,-0.2 325,-0.2 1,-0.1 -1,-0.1 -0.576 24.5 147.5-130.4 70.1 -73.4 -45.5 56.1 11 13 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.711 48.4 91.2 -74.0 -23.6 -71.2 -45.8 59.3 12 14 A H - 0 0 86 12,-0.9 12,-2.7 1,-0.0 2,-0.4 -0.566 63.0-151.0 -84.8 134.2 -74.0 -45.4 61.9 13 15 A V E -E 23 0B 59 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.834 13.0-175.9-107.2 138.3 -75.7 -48.5 63.2 14 16 A V E -E 22 0B 2 8,-2.7 8,-2.4 -2,-0.4 2,-0.4 -0.960 22.7-121.3-129.1 157.9 -79.3 -48.8 64.5 15 17 A K + 0 0 92 313,-0.4 2,-0.3 -2,-0.3 406,-0.2 -0.777 29.7 174.7 -96.1 137.2 -81.5 -51.6 66.2 16 18 A T > - 0 0 7 4,-0.4 4,-1.0 -2,-0.4 403,-0.2 -0.990 31.4-138.1-147.4 134.5 -84.8 -52.8 64.6 17 19 A A T 4 S+ 0 0 58 -2,-0.3 -1,-0.1 398,-0.2 402,-0.1 0.916 102.2 32.4 -63.2 -44.7 -87.2 -55.5 65.6 18 20 A T T 4 S+ 0 0 93 400,-0.3 -1,-0.2 1,-0.1 401,-0.1 0.878 127.3 34.9 -80.8 -38.9 -87.9 -56.9 62.0 19 21 A Q T 4 S- 0 0 88 1,-0.3 -2,-0.1 399,-0.2 -1,-0.1 0.431 96.1-137.9-102.0 4.5 -84.6 -56.2 60.2 20 22 A G < - 0 0 36 -4,-1.0 2,-0.5 2,-0.1 -4,-0.4 -0.314 61.6 -13.2 63.8-158.2 -82.1 -56.8 62.9 21 23 A E S S- 0 0 133 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.621 77.4-173.4 -80.9 115.6 -79.1 -54.5 63.3 22 24 A V E -E 14 0B 12 -8,-2.4 -8,-2.7 -2,-0.5 2,-0.3 -0.837 26.5-122.7-115.5 150.5 -78.7 -52.2 60.2 23 25 A N E E 13 0B 66 -2,-0.3 312,-0.6 -10,-0.2 -10,-0.2 -0.696 360.0 360.0 -82.8 141.0 -76.2 -49.7 58.9 24 26 A V 0 0 1 -12,-2.7 -12,-0.9 -2,-0.3 310,-0.2 -0.947 360.0 360.0-139.9 360.0 -77.8 -46.3 58.1 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 28 A G 0 0 27 0, 0.0 305,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.5 -77.0 -41.5 59.7 27 29 A V E -F 330 0C 36 303,-0.2 303,-0.2 -3,-0.1 -14,-0.0 -0.997 360.0-139.2-145.1 147.9 -78.8 -41.8 63.1 28 30 A I E -F 329 0C 32 301,-2.7 301,-2.6 -2,-0.3 2,-0.2 -0.934 30.6-138.2-102.5 108.9 -80.8 -39.6 65.5 29 31 A P E -F 328 0C 55 0, 0.0 299,-0.2 0, 0.0 -2,-0.0 -0.514 19.6-173.6 -73.7 140.9 -79.7 -40.5 69.0 30 32 A L + 0 0 2 297,-2.2 277,-1.7 -2,-0.2 2,-0.2 0.285 60.7 79.5-108.4 1.3 -82.6 -40.8 71.6 31 33 A T + 0 0 21 296,-0.5 2,-0.3 275,-0.1 277,-0.2 -0.736 46.6 176.2-120.0 161.6 -80.2 -41.3 74.5 32 34 A T - 0 0 51 -2,-0.2 277,-2.6 275,-0.2 -2,-0.0 -0.970 26.1-139.3-156.5 147.5 -78.0 -39.4 76.9 33 35 A T - 0 0 87 -2,-0.3 277,-0.1 275,-0.2 275,-0.1 -0.902 35.4-146.5-110.4 99.0 -75.9 -40.3 80.0 34 36 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 267,-0.1 -0.081 9.2-118.8 -60.7 166.1 -76.5 -37.4 82.3 35 37 A T - 0 0 61 263,-0.1 1624,-0.1 1,-0.0 1623,-0.1 -0.924 26.4-101.6-116.0 142.6 -73.9 -36.0 84.7 36 38 A K + 0 0 40 1622,-0.6 2,-0.2 -2,-0.4 1624,-0.2 -0.172 52.2 164.0 -57.2 115.0 -74.0 -35.8 88.5 37 39 A S - 0 0 12 261,-2.2 1476,-0.1 263,-0.2 1475,-0.1 -0.731 39.8 -82.7-128.8 170.2 -74.9 -32.3 89.7 38 40 A H - 0 0 23 1474,-0.3 262,-2.4 -2,-0.2 2,-0.2 -0.315 55.5 -90.9 -64.9 165.1 -76.1 -30.6 92.8 39 41 A F + 0 0 12 245,-0.6 249,-4.0 247,-0.4 2,-0.2 -0.531 47.9 179.4 -85.4 158.7 -79.7 -30.4 93.7 40 42 A A - 0 0 3 247,-0.4 2,-0.5 -2,-0.2 250,-0.2 -0.549 34.6 -68.3-143.8-174.9 -82.1 -27.7 92.7 41 43 A N E -g 290 0D 63 248,-2.7 250,-2.1 -2,-0.2 2,-0.3 -0.763 50.0-119.6 -86.3 119.5 -85.6 -26.3 92.7 42 44 A L E > -g 291 0D 11 -2,-0.5 3,-1.1 248,-0.2 250,-0.2 -0.620 28.3-123.6 -56.2 122.9 -88.1 -28.3 90.8 43 45 A K T 3 S+ 0 0 130 248,-2.3 249,-0.1 -2,-0.3 -1,-0.1 0.851 96.0 25.0 -39.3 -75.0 -89.6 -26.2 88.0 44 46 A G T 3 S+ 0 0 73 248,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.567 116.6 64.8 -72.7 -3.4 -93.3 -26.1 88.4 45 47 A T S < S- 0 0 50 -3,-1.1 -3,-0.2 1,-0.1 32,-0.0 -0.772 80.5 -98.5-134.8 154.0 -93.5 -26.8 92.1 46 48 A E - 0 0 105 -2,-0.3 2,-0.3 -5,-0.1 33,-0.1 -0.311 37.8-158.5 -53.9 145.1 -92.8 -25.9 95.7 47 49 A T - 0 0 23 29,-0.1 2,-0.6 31,-0.1 33,-0.2 -0.850 1.1-153.9-133.6 113.5 -89.7 -27.7 97.0 48 50 A R B +h 80 0E 12 31,-3.2 33,-2.6 -2,-0.3 3,-0.1 -0.651 27.3 154.5 -84.6 108.0 -89.2 -28.3 100.7 49 51 A G + 0 0 11 -2,-0.6 2,-0.3 1,-0.4 34,-0.3 0.838 67.1 28.6 -86.8 -56.9 -85.7 -28.7 102.1 50 52 A K S S- 0 0 29 1,-0.1 -1,-0.4 32,-0.1 9,-0.1 -0.754 80.8-121.4-113.9 143.3 -85.7 -27.6 105.7 51 53 A L S S- 0 0 3 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.950 101.0 -0.6 -57.4 -62.8 -88.8 -28.0 107.8 52 54 A b S > S- 0 0 1 22,-0.2 3,-0.7 3,-0.1 -1,-0.3 -0.994 73.3-157.8-118.2 120.8 -88.9 -24.3 108.6 53 55 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 20,-0.1 -0.410 82.3 51.5 -72.3 176.9 -86.2 -22.2 107.1 54 56 A K T 3 S+ 0 0 136 1,-0.1 2,-0.8 -2,-0.1 19,-0.0 0.444 79.7 101.8 69.3 -4.3 -85.9 -19.0 109.2 55 57 A b S X S- 0 0 8 -3,-0.7 3,-0.6 3,-0.1 -1,-0.1 -0.859 70.2-162.5-100.4 74.5 -85.6 -21.1 112.3 56 58 A L T 3 + 0 0 107 -2,-0.8 3,-0.1 1,-0.2 1375,-0.0 -0.422 64.1 19.9 -64.9 145.0 -81.8 -20.5 112.3 57 59 A N T 3 S+ 0 0 70 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.878 104.7 112.3 61.7 35.3 -79.4 -22.8 114.3 58 60 A c < - 0 0 8 -3,-0.6 -1,-0.3 -6,-0.1 2,-0.2 -0.992 56.2-151.4-139.9 137.9 -82.3 -25.4 114.4 59 61 A T > - 0 0 2 -2,-0.4 4,-2.2 29,-0.1 5,-0.1 -0.503 36.3-101.1 -99.4 172.4 -82.4 -28.6 112.7 60 62 A D H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 125.2 53.2 -64.5 -41.3 -85.6 -30.3 111.5 61 63 A L H > S+ 0 0 0 27,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.905 107.9 53.6 -55.7 -45.2 -85.6 -32.6 114.6 62 64 A D H >>S+ 0 0 2 26,-0.5 5,-2.0 2,-0.2 4,-0.8 0.942 110.9 44.5 -51.2 -49.7 -85.3 -29.4 116.7 63 65 A V H ><5S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.952 113.5 51.5 -62.5 -44.9 -88.3 -27.9 115.0 64 66 A A H 3<5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.5 48.7 -57.4 -48.7 -90.3 -31.2 115.3 65 67 A L H 3<5S- 0 0 1 -4,-2.8 88,-0.7 -5,-0.2 -1,-0.3 0.611 111.7-120.4 -71.7 -14.7 -89.6 -31.5 119.0 66 68 A G T <<5 - 0 0 0 -3,-1.0 86,-3.6 -4,-0.8 -3,-0.2 0.934 39.1-172.4 80.9 34.8 -90.6 -28.0 119.7 67 69 A R > < - 0 0 47 -5,-2.0 3,-2.7 84,-0.2 -1,-0.2 -0.601 39.0 -89.5 -66.2 133.1 -87.3 -26.8 121.1 68 70 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 75,-0.1 -0.003 113.6 17.9 -49.3 141.9 -87.6 -23.2 122.5 69 71 A K T 3 S+ 0 0 119 1,-0.1 2,-1.0 -3,-0.1 74,-0.1 0.254 102.3 99.2 72.1 -11.9 -86.9 -20.5 119.9 70 72 A c < + 0 0 2 -3,-2.7 2,-0.3 -8,-0.1 -1,-0.1 -0.792 52.5 110.6-101.3 95.7 -87.3 -23.0 117.1 71 73 A T + 0 0 88 -2,-1.0 2,-0.3 -5,-0.1 -7,-0.0 -0.935 31.8 120.0-156.8 145.3 -90.8 -22.3 116.0 72 74 A G - 0 0 44 -2,-0.3 2,-0.6 -9,-0.1 -18,-0.1 -0.971 64.5 -45.2 177.8 179.6 -92.0 -20.7 112.8 73 75 A K - 0 0 129 -2,-0.3 43,-0.1 -20,-0.1 -18,-0.1 -0.633 41.2-159.2 -76.0 121.1 -94.1 -21.1 109.8 74 76 A I - 0 0 22 -2,-0.6 41,-0.4 41,-0.2 -22,-0.2 -0.878 23.5-151.6 -93.6 103.0 -93.5 -24.5 108.3 75 77 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 40,-0.2 -0.013 15.5 -99.2 -72.5 178.0 -94.8 -23.7 104.8 76 78 A S - 0 0 43 38,-0.1 2,-0.4 -29,-0.0 38,-0.2 -0.716 34.3-174.8-108.9 144.6 -96.3 -26.3 102.5 77 79 A A - 0 0 2 36,-1.1 3,-0.1 -2,-0.3 -30,-0.1 -0.994 31.6-156.3-137.1 148.3 -94.8 -28.4 99.6 78 80 A R S S+ 0 0 144 -2,-0.4 201,-2.3 1,-0.2 2,-0.3 0.526 97.4 38.9 -86.8 -8.1 -96.0 -30.8 96.9 79 81 A V E S- i 0 279E 8 199,-0.3 -31,-3.2 -33,-0.1 2,-0.3 -0.992 70.7-176.4-139.6 131.5 -92.3 -32.0 96.9 80 82 A S E -hi 48 280E 0 199,-0.8 201,-1.9 -2,-0.3 2,-0.5 -0.927 16.7-139.5-131.0 149.7 -89.9 -32.5 99.8 81 83 A I E - i 0 281E 0 -33,-2.6 2,-0.8 -2,-0.3 201,-0.2 -0.958 9.3-144.7-108.3 132.5 -86.3 -33.4 100.0 82 84 A L + 0 0 19 199,-2.9 201,-0.3 -2,-0.5 3,-0.1 -0.856 29.7 161.2 -99.6 103.5 -84.9 -35.7 102.7 83 85 A H + 0 0 2 -2,-0.8 1424,-1.8 -34,-0.3 2,-0.8 0.830 59.4 59.6 -96.7 -32.9 -81.4 -34.5 103.6 84 86 A E + 0 0 8 1,-0.2 -1,-0.2 1422,-0.2 23,-0.1 -0.826 50.0 178.7-108.9 107.7 -80.9 -36.2 106.9 85 87 A V S S+ 0 0 39 -2,-0.8 -1,-0.2 1,-0.3 303,-0.1 0.811 91.6 25.2 -71.1 -34.4 -81.1 -39.9 107.0 86 88 A R S S- 0 0 163 18,-0.0 -1,-0.3 2,-0.0 18,-0.1 -0.678 95.5-152.5-127.7 82.2 -80.4 -39.9 110.7 87 89 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.060 8.7-149.8 -68.6 155.9 -81.5 -36.6 111.9 88 90 A V - 0 0 26 2,-0.0 -26,-0.5 9,-0.0 -27,-0.5 -0.851 13.8-123.1-120.0 157.2 -80.2 -34.7 114.9 89 91 A T - 0 0 4 -2,-0.3 3,-0.1 -28,-0.2 -29,-0.1 -0.736 12.0-155.9 -96.1 154.5 -81.0 -32.3 117.7 90 92 A S - 0 0 32 -2,-0.3 2,-0.3 -31,-0.1 145,-0.1 0.342 64.7 -50.0-112.1 1.1 -78.9 -29.1 118.0 91 93 A G S S+ 0 0 0 143,-0.4 145,-0.4 2,-0.1 2,-0.1 -0.959 76.9 107.9 170.7-139.3 -79.6 -28.6 121.7 92 94 A d S S- 0 0 0 48,-0.7 144,-3.8 -2,-0.3 145,-0.3 -0.395 86.4 -7.9 57.4-158.0 -82.0 -28.4 124.6 93 95 A F S S- 0 0 5 142,-0.2 2,-0.3 143,-0.1 -2,-0.1 -0.430 86.1 -90.5 -66.2 136.8 -82.1 -31.3 127.2 94 96 A P - 0 0 0 0, 0.0 150,-1.4 0, 0.0 2,-0.4 -0.413 44.0-164.6 -57.0 120.5 -80.1 -34.5 126.6 95 97 A I B -j 244 0F 4 138,-0.6 2,-1.3 -2,-0.3 150,-0.2 -0.871 24.4-138.1-101.8 143.9 -82.2 -37.2 124.8 96 98 A M > + 0 0 18 148,-2.4 3,-1.2 -2,-0.4 150,-0.3 -0.724 36.9 178.1 -93.4 83.9 -81.3 -40.9 124.5 97 99 A H G > + 0 0 7 -2,-1.3 3,-1.1 1,-0.3 6,-0.5 0.777 63.1 59.5 -59.7 -46.4 -82.3 -40.9 120.9 98 100 A D G 3 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.499 87.1 75.2 -71.4 -4.9 -81.6 -44.3 119.8 99 101 A R G < S+ 0 0 121 -3,-1.2 2,-0.3 147,-0.0 -1,-0.2 0.389 104.9 26.6 -92.4 5.8 -84.0 -46.0 122.3 100 102 A T 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