==== 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 4FQJ . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR C.DREYFUS,N.S.LAURSEN,I.A.WILSON . 731 4 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 231 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 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 . 76 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 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 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 11 5 5 8 2 1 2 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 . 2 2 5 2 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 33 A T 0 0 104 0, 0.0 2,-0.3 0, 0.0 276,-0.2 0.000 360.0 360.0 360.0 97.1 3.6 14.8 19.2 2 34 A T - 0 0 74 274,-0.4 276,-1.1 276,-0.1 3,-0.0 -0.780 360.0 -99.8-122.9 159.0 1.6 11.9 18.0 3 35 A T - 0 0 63 -2,-0.3 276,-0.1 274,-0.2 3,-0.1 -0.716 50.9-114.9 -78.3 121.2 0.7 10.2 14.7 4 36 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.107 24.4-113.4 -55.3 152.2 -2.8 11.4 13.9 5 37 A T - 0 0 35 1,-0.1 322,-0.2 -3,-0.0 2,-0.1 -0.746 39.7-108.5 -82.4 135.0 -5.6 8.8 13.8 6 38 A K + 0 0 16 320,-1.4 322,-0.3 -2,-0.4 2,-0.3 -0.468 51.1 169.8 -68.1 143.1 -6.8 8.5 10.2 7 39 A S - 0 0 8 260,-1.7 614,-0.2 -2,-0.1 613,-0.1 -0.854 36.0 -68.0-144.5 173.1 -10.2 10.0 9.8 8 40 A Y - 0 0 49 612,-0.5 261,-2.4 -2,-0.3 2,-0.1 -0.220 55.1-100.3 -64.6 157.3 -12.7 11.0 7.1 9 41 A F - 0 0 13 246,-0.3 248,-2.7 259,-0.3 2,-0.3 -0.382 47.2-171.8 -73.4 159.8 -12.0 13.9 4.7 10 42 A A - 0 0 3 246,-0.3 2,-0.3 -2,-0.1 249,-0.2 -0.834 30.6 -72.7-142.9 175.8 -13.7 17.2 5.5 11 43 A N E -a 259 0A 62 247,-3.2 249,-3.0 -2,-0.3 2,-0.4 -0.628 52.5-115.1 -73.4 134.8 -14.5 20.7 4.4 12 44 A L E > -a 260 0A 13 3,-0.4 3,-1.8 -2,-0.3 249,-0.2 -0.625 27.4-126.5 -74.9 127.4 -11.4 23.0 4.4 13 45 A K T 3 S+ 0 0 123 247,-2.4 -1,-0.1 -2,-0.4 248,-0.1 0.849 98.7 22.3 -45.3 -62.4 -12.1 25.7 7.0 14 46 A G T 3 S+ 0 0 75 247,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.224 118.5 70.1 -92.1 19.9 -11.5 28.9 5.1 15 47 A T S < S- 0 0 56 -3,-1.8 -3,-0.4 32,-0.0 -1,-0.0 -0.988 81.6-111.0-150.9 126.4 -12.0 27.5 1.6 16 48 A R - 0 0 165 -2,-0.4 33,-1.6 -5,-0.1 32,-1.0 -0.314 37.8-152.2 -51.2 128.8 -14.8 26.1 -0.6 17 49 A T E -b 49 0B 18 30,-0.2 2,-0.6 31,-0.1 33,-0.2 -0.937 2.8-150.0-120.5 118.8 -14.3 22.4 -1.0 18 50 A R E +b 50 0B 10 31,-2.9 33,-2.8 -2,-0.5 3,-0.1 -0.741 27.9 156.2 -90.2 118.1 -15.4 20.4 -4.1 19 51 A G S S+ 0 0 11 -2,-0.6 2,-0.2 1,-0.5 34,-0.2 0.695 73.1 18.5 -95.3 -90.7 -16.4 16.8 -3.7 20 52 A K S S- 0 0 23 1,-0.1 -1,-0.5 33,-0.0 9,-0.0 -0.546 79.6-124.4 -75.3 148.9 -18.7 15.9 -6.5 21 53 A L S S+ 0 0 1 1,-0.3 -1,-0.1 -2,-0.2 64,-0.1 0.890 104.0 27.7 -56.3 -40.5 -18.7 18.3 -9.5 22 54 A a S > S- 0 0 2 22,-0.2 3,-1.6 3,-0.1 -1,-0.3 -0.797 71.1-166.8-131.4 87.7 -22.5 18.8 -9.1 23 55 A P T 3 S+ 0 0 62 0, 0.0 20,-0.1 0, 0.0 3,-0.0 -0.615 84.9 41.2 -69.0 140.8 -23.9 18.4 -5.7 24 56 A D T 3 S+ 0 0 146 -2,-0.2 2,-0.9 18,-0.1 19,-0.0 0.012 89.4 93.5 99.2 -21.6 -27.7 18.2 -6.3 25 57 A a X + 0 0 12 -3,-1.6 3,-0.5 18,-0.2 -3,-0.1 -0.576 59.1 169.0 -90.8 64.9 -27.3 16.0 -9.3 26 58 A L T 3 + 0 0 70 -2,-0.9 3,-0.1 1,-0.2 539,-0.0 -0.277 59.9 49.6 -71.1 173.7 -27.7 12.8 -7.3 27 59 A N T 3 S+ 0 0 88 1,-0.2 2,-0.4 13,-0.0 -1,-0.2 0.661 103.1 102.6 60.7 18.1 -28.2 9.6 -9.3 28 60 A b < - 0 0 5 -3,-0.5 -1,-0.2 -6,-0.1 2,-0.2 -0.991 62.0-148.5-135.3 135.9 -25.1 11.0 -11.2 29 61 A T > - 0 0 1 -2,-0.4 4,-1.6 -3,-0.1 5,-0.1 -0.548 37.3-107.3 -87.3 166.5 -21.4 10.3 -11.2 30 62 A D H >> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.941 123.6 51.4 -53.5 -49.0 -18.9 13.0 -12.0 31 63 A L H 3> S+ 0 0 0 27,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.780 104.7 57.6 -62.2 -31.1 -18.3 11.5 -15.4 32 64 A D H 3>>S+ 0 0 0 26,-0.4 5,-2.5 2,-0.2 4,-0.7 0.871 110.6 43.4 -62.0 -40.9 -22.1 11.6 -16.0 33 65 A V H X<5S+ 0 0 5 -4,-1.6 3,-1.1 -3,-0.5 -2,-0.2 0.951 109.5 55.2 -70.0 -51.4 -22.0 15.3 -15.4 34 66 A A H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.829 115.1 41.2 -50.2 -34.9 -18.8 15.9 -17.5 35 67 A L H 3<5S- 0 0 1 -4,-1.5 88,-1.3 -5,-0.2 -1,-0.3 0.594 110.6-122.4 -87.4 -15.4 -20.6 14.2 -20.4 36 68 A G T <<5 - 0 0 1 -3,-1.1 86,-2.0 -4,-0.7 -3,-0.2 0.846 37.9-174.9 73.3 33.1 -24.0 15.9 -19.8 37 69 A R > < - 0 0 43 -5,-2.5 3,-1.5 84,-0.2 -1,-0.1 -0.318 42.1 -89.7 -51.2 141.1 -25.9 12.7 -19.4 38 70 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 83,-0.1 -0.390 117.1 32.1 -68.9 146.6 -29.6 13.6 -19.0 39 71 A M T 3 S+ 0 0 95 -3,-0.1 -2,-0.1 2,-0.1 -6,-0.1 0.367 108.4 78.9 84.5 3.7 -30.7 14.2 -15.3 40 72 A b < + 0 0 1 -3,-1.5 2,-0.8 -8,-0.1 -4,-0.2 0.024 54.9 107.7-129.9 25.2 -27.1 15.5 -14.7 41 73 A V + 0 0 93 -5,-0.1 2,-0.2 81,-0.0 -1,-0.1 -0.659 52.0 122.1-105.7 74.7 -27.2 19.0 -16.1 42 74 A G - 0 0 35 -2,-0.8 45,-0.2 1,-0.1 -18,-0.1 -0.691 66.8 -49.3-126.0-179.4 -27.1 21.1 -12.9 43 75 A T - 0 0 110 -2,-0.2 -18,-0.2 1,-0.1 -1,-0.1 -0.212 39.7-162.6 -54.8 129.9 -25.1 23.8 -11.1 44 76 A T - 0 0 17 41,-0.3 41,-0.6 -22,-0.1 -22,-0.2 -0.774 21.6-151.8-114.9 84.9 -21.3 23.1 -11.0 45 77 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 41,-0.0 -0.075 14.0-107.3 -62.9 154.0 -20.1 25.5 -8.2 46 78 A S + 0 0 47 38,-0.1 2,-0.3 2,-0.0 38,-0.2 -0.462 39.4 171.1 -71.4 148.8 -16.7 27.1 -7.9 47 79 A A - 0 0 5 36,-1.2 -30,-0.2 35,-0.2 3,-0.1 -0.951 32.4-147.6-155.6 156.2 -14.3 25.9 -5.2 48 80 A K S S+ 0 0 72 -32,-1.0 200,-2.5 -2,-0.3 2,-0.4 0.502 90.6 45.5-106.4 -11.2 -10.6 26.6 -4.6 49 81 A A E -bc 17 248B 4 -33,-1.6 -31,-2.9 198,-0.3 2,-0.4 -1.000 69.5-178.1-131.7 134.4 -9.9 23.2 -3.2 50 82 A S E -bc 18 249B 1 198,-3.2 200,-2.1 -2,-0.4 2,-0.6 -0.979 20.3-135.1-132.2 141.8 -11.1 20.0 -4.7 51 83 A I E - c 0 250B 0 -33,-2.8 2,-0.9 -2,-0.4 200,-0.2 -0.856 10.8-144.0-101.7 127.8 -10.8 16.4 -3.7 52 84 A L E + c 0 251B 39 198,-2.2 200,-1.7 -2,-0.6 3,-0.1 -0.796 33.4 159.5 -85.6 104.7 -9.8 13.8 -6.3 53 85 A H + 0 0 10 -2,-0.9 562,-1.6 1,-0.2 2,-0.4 0.476 56.2 57.2-110.2 -9.9 -11.8 10.7 -5.3 54 86 A E - 0 0 13 560,-0.1 -1,-0.2 1,-0.1 23,-0.1 -0.907 48.6-178.4-126.5 106.2 -11.9 8.6 -8.5 55 87 A V S S+ 0 0 98 -2,-0.4 -1,-0.1 1,-0.3 22,-0.1 0.829 94.1 29.0 -64.9 -32.7 -8.7 7.6 -10.1 56 88 A K S S- 0 0 138 18,-0.0 -1,-0.3 17,-0.0 18,-0.1 -0.749 93.2-146.9-125.6 84.9 -10.7 5.9 -12.8 57 89 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.090 14.2-148.3 -58.3 155.6 -14.0 7.8 -13.1 58 90 A V - 0 0 24 15,-0.0 -27,-0.5 2,-0.0 -26,-0.4 -0.933 8.8-139.6-132.4 138.3 -17.1 5.8 -14.1 59 91 A T - 0 0 3 -2,-0.3 145,-0.1 -28,-0.2 3,-0.1 -0.563 10.4-166.1 -85.5 163.1 -20.3 6.5 -16.0 60 92 A S - 0 0 39 -2,-0.2 2,-0.3 1,-0.1 144,-0.3 -0.058 60.4 -4.1-144.0 41.5 -23.6 5.0 -14.6 61 93 A G S S+ 0 0 2 142,-1.2 144,-0.2 2,-0.1 50,-0.1 -0.970 81.1 72.7 157.3-175.8 -26.1 5.3 -17.4 62 94 A c S S- 0 0 1 48,-1.2 143,-3.1 -2,-0.3 144,-0.3 -0.067 92.7 -11.2 61.5-169.9 -26.9 6.5 -20.9 63 95 A F S S- 0 0 5 141,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.345 84.0 -97.1 -62.2 134.1 -25.5 4.9 -24.2 64 96 A P - 0 0 0 0, 0.0 149,-2.0 0, 0.0 2,-0.3 -0.258 42.9-158.5 -58.8 126.2 -22.7 2.3 -23.7 65 97 A I B -d 213 0C 12 137,-0.5 2,-0.9 147,-0.2 137,-0.2 -0.731 23.7-137.5-105.6 148.5 -19.2 3.8 -24.2 66 98 A M > - 0 0 17 147,-2.4 3,-1.6 -2,-0.3 4,-0.2 -0.782 33.5-179.7 -98.7 81.0 -15.8 2.1 -25.1 67 99 A H G > > + 0 0 11 -2,-0.9 3,-1.9 1,-0.3 5,-0.5 0.861 66.8 61.2 -53.0 -51.1 -14.0 4.2 -22.5 68 100 A D G 3 5S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.1 146,-0.0 0.478 85.8 78.1 -62.3 -3.9 -10.4 2.9 -23.0 69 101 A R G < 5S+ 0 0 129 -3,-1.6 -1,-0.3 146,-0.0 2,-0.2 0.714 106.6 17.0 -77.8 -20.8 -10.3 4.1 -26.6 70 102 A T T < 5S- 0 0 21 -3,-1.9 3,-0.4 -4,-0.2 146,-0.1 -0.804 88.8 -95.8-137.3-177.8 -9.7 7.7 -25.5 71 103 A K T > 5S+ 0 0 97 -2,-0.2 3,-0.5 1,-0.2 4,-0.1 -0.035 81.2 121.9 -89.6 30.5 -8.6 9.7 -22.5 72 104 A I G > < + 0 0 1 -5,-0.5 3,-1.8 143,-0.3 -1,-0.2 0.780 55.4 65.0 -71.4 -32.2 -12.2 10.3 -21.6 73 105 A R G 3 S+ 0 0 40 -3,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.889 97.7 59.7 -60.0 -33.6 -12.4 8.9 -18.1 74 106 A Q G <> S+ 0 0 79 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.489 75.8 98.8 -75.5 -2.8 -10.0 11.6 -17.0 75 107 A L H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.901 81.9 45.9 -54.4 -49.2 -12.3 14.5 -18.0 76 108 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.840 111.2 53.0 -69.9 -28.3 -13.9 15.2 -14.5 77 109 A N H 4 S+ 0 0 20 -4,-0.3 4,-0.4 -3,-0.2 -2,-0.2 0.818 110.4 48.8 -70.6 -28.3 -10.5 15.1 -12.8 78 110 A L H >< S+ 0 0 54 -4,-1.8 3,-1.6 -3,-0.2 4,-0.3 0.969 112.4 48.1 -68.4 -56.8 -9.3 17.7 -15.4 79 111 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.859 104.1 60.4 -43.1 -45.0 -12.4 19.8 -14.8 80 112 A R T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.682 91.2 70.0 -72.7 -10.3 -11.8 19.6 -11.0 81 113 A G T < S+ 0 0 28 -3,-1.6 166,-2.8 -4,-0.4 -1,-0.3 0.644 89.0 76.8 -74.6 -17.2 -8.5 21.3 -11.4 82 114 A Y S < S- 0 0 30 -3,-2.0 164,-0.3 -4,-0.3 163,-0.2 -0.694 75.5-140.0 -93.5 147.7 -10.2 24.6 -12.4 83 115 A E S S+ 0 0 66 161,-0.7 -36,-1.2 -2,-0.3 2,-0.4 0.953 91.5 38.6 -66.5 -48.8 -11.8 26.9 -9.8 84 116 A N E +E 244 0C 46 160,-2.7 160,-1.9 -38,-0.2 2,-0.3 -0.872 67.1 167.6-112.3 134.6 -14.7 27.7 -12.1 85 117 A I E +E 243 0C 9 -41,-0.6 2,-0.3 -2,-0.4 -41,-0.3 -0.998 0.5 162.8-142.6 145.3 -16.5 25.3 -14.4 86 118 A R E -E 242 0C 84 156,-1.5 156,-2.4 -2,-0.3 2,-0.4 -0.964 38.6-119.7-158.9 141.7 -19.7 25.4 -16.4 87 119 A L E -E 241 0C 29 -2,-0.3 154,-0.2 154,-0.2 -43,-0.1 -0.700 52.2-103.5 -72.7 135.5 -21.4 23.6 -19.3 88 120 A S - 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