==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-DEC-11 3UYW . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.L.XUAN,Y.SHI,J.X.QI,H.X.XIAO,G.F.GAO . 856 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 27.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 . 88 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 4 5 3 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 . 4 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 0 PARALLEL BRIDGES PER LADDER . 16 4 12 8 0 8 0 0 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 0 4 0 0 0 4 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 54 A A 0 0 105 0, 0.0 29,-0.6 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 159.9 -8.1 11.8 -5.2 2 55 A P - 0 0 33 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.331 360.0-114.2 -83.1 160.9 -6.4 8.4 -4.5 3 56 A L E -a 32 0A 9 28,-2.1 30,-2.5 -2,-0.1 2,-0.6 -0.813 30.4-155.4 -88.1 112.8 -3.4 7.5 -2.4 4 57 A H E -a 33 0A 117 -2,-0.7 30,-0.1 28,-0.2 3,-0.1 -0.842 11.7-172.7 -90.4 116.3 -0.8 6.3 -4.8 5 58 A L > - 0 0 6 28,-2.0 3,-1.5 -2,-0.6 2,-0.2 0.397 22.2-152.3 -89.7 3.2 1.7 4.0 -3.0 6 59 A G T 3 S- 0 0 46 27,-0.2 -1,-0.3 1,-0.2 14,-0.1 -0.445 71.0 -6.3 64.3-122.8 4.0 3.7 -6.0 7 60 A K T 3 S+ 0 0 129 -2,-0.2 -1,-0.2 12,-0.2 2,-0.2 0.311 120.2 77.4 -92.0 10.7 5.8 0.4 -5.8 8 61 A a < - 0 0 0 -3,-1.5 27,-2.0 13,-0.1 2,-0.2 -0.722 68.1-133.5-111.9 164.7 4.6 -0.8 -2.5 9 62 A N > - 0 0 36 31,-0.9 4,-2.3 25,-0.2 5,-0.2 -0.465 44.7 -86.1 -99.4-178.8 1.3 -2.4 -1.3 10 63 A I H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.895 126.4 55.2 -58.3 -42.7 -0.6 -1.4 1.8 11 64 A A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.926 110.9 43.2 -56.1 -50.7 1.5 -3.7 4.0 12 65 A G H >>S+ 0 0 0 28,-0.3 5,-2.8 1,-0.2 4,-1.3 0.890 117.4 47.1 -64.2 -39.9 4.8 -2.2 3.0 13 66 A W H <5S+ 0 0 12 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.946 113.8 44.6 -67.7 -49.2 3.5 1.3 3.2 14 67 A I H <5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.8 44.3 -71.5 -30.0 1.8 1.1 6.6 15 68 A L H <5S- 0 0 1 -4,-1.9 85,-1.9 -5,-0.3 86,-0.3 0.727 112.8-119.0 -81.4 -23.9 4.8 -0.8 8.2 16 69 A G T <5 - 0 0 4 -4,-1.3 83,-2.2 -5,-0.2 -3,-0.2 0.851 32.5-164.4 84.7 38.2 7.3 1.6 6.6 17 70 A N > < - 0 0 2 -5,-2.8 3,-2.6 81,-0.2 -1,-0.1 -0.353 28.7-120.9 -49.7 131.1 9.2 -0.9 4.5 18 71 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.730 111.3 62.1 -55.8 -23.4 12.4 0.9 3.6 19 72 A E T 3 S+ 0 0 75 22,-0.1 2,-0.4 2,-0.1 -12,-0.2 0.689 95.1 74.1 -74.7 -19.2 11.6 0.5 -0.1 20 73 A a S < S- 0 0 9 -3,-2.6 2,-0.2 -8,-0.2 -14,-0.1 -0.789 89.1-117.3 -98.4 136.6 8.4 2.5 0.3 21 74 A E - 0 0 145 -2,-0.4 -5,-0.1 -16,-0.2 -4,-0.1 -0.523 24.8-122.5 -66.3 135.3 8.4 6.3 0.8 22 75 A S - 0 0 31 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.714 39.1-160.1 -52.2 -17.7 6.9 7.2 4.2 23 76 A L + 0 0 45 1,-0.2 2,-2.0 2,-0.1 3,-0.5 0.743 24.3 167.5 38.5 42.0 4.6 9.1 1.9 24 77 A S + 0 0 99 1,-0.2 -1,-0.2 41,-0.0 3,-0.1 -0.392 48.5 88.4 -77.4 61.0 3.4 11.5 4.6 25 78 A T + 0 0 129 -2,-2.0 2,-0.4 1,-0.2 -1,-0.2 0.711 64.3 66.6-123.9 -54.8 1.7 13.8 2.2 26 79 A A - 0 0 36 -3,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.627 50.2-177.8 -78.6 126.7 -1.9 12.9 1.4 27 80 A S + 0 0 69 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.484 70.0 27.7-102.9 -6.4 -4.2 13.3 4.5 28 81 A S + 0 0 61 35,-0.2 2,-0.3 -27,-0.1 34,-0.2 -0.990 63.7 163.6-151.6 150.2 -7.3 12.1 2.8 29 82 A W B -B 61 0B 6 32,-2.1 32,-2.0 -2,-0.3 184,-0.2 -0.981 35.1-140.6-161.8 161.7 -8.2 9.8 -0.1 30 83 A S S S- 0 0 63 -29,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.687 86.6 -3.5 -98.4 -27.4 -11.1 7.9 -1.6 31 84 A Y - 0 0 121 -30,-0.2 -28,-2.1 30,-0.1 2,-0.5 -0.973 69.1-112.3-159.0 162.1 -9.2 4.7 -2.5 32 85 A I E -a 3 0A 26 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.927 14.0-151.7-112.5 129.9 -5.7 3.2 -2.5 33 86 A V E -a 4 0A 41 -30,-2.5 -28,-2.0 -2,-0.5 2,-0.3 -0.856 26.7-172.2 -91.6 102.6 -3.7 2.4 -5.6 34 87 A E - 0 0 61 -2,-0.7 -25,-0.2 -30,-0.1 -27,-0.1 -0.713 11.5-160.1-100.9 158.9 -1.3 -0.5 -4.8 35 88 A T - 0 0 43 -27,-2.0 2,-0.1 -2,-0.3 -28,-0.0 -0.935 20.9-106.3-133.1 157.5 1.6 -2.2 -6.6 36 89 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.204 31.3 172.7-103.2 168.6 3.4 -5.6 -6.3 37 90 A S - 0 0 43 1,-0.1 4,-0.1 -2,-0.1 -29,-0.0 -0.945 44.1-117.9-178.3 128.6 6.6 -6.5 -5.0 38 91 A S S S- 0 0 125 -2,-0.3 -1,-0.1 3,-0.1 3,-0.0 0.997 110.7 -22.9 -60.4 -57.6 8.7 -9.6 -4.2 39 92 A D S S+ 0 0 29 2,-0.1 2,-9.9 -3,-0.1 3,-0.4 0.735 93.8 126.2-115.3 -51.5 8.7 -8.5 -0.6 40 93 A N S S+ 0 0 20 1,-0.2 -31,-0.9 2,-0.1 -28,-0.3 0.353 82.1 52.1 -21.5 26.8 8.0 -4.7 -0.5 41 94 A G S S+ 0 0 3 -2,-9.9 2,-1.1 -30,-0.2 -1,-0.2 0.272 128.3 7.5-102.3 -78.5 5.3 -5.5 1.9 42 95 A T + 0 0 30 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 -0.728 63.8 177.5-102.1 88.0 6.8 -7.7 4.5 43 96 A b S S+ 0 0 1 -2,-1.1 -1,-0.2 1,-0.1 -3,-0.1 0.877 78.5 60.2 -58.6 -38.9 10.6 -7.7 3.9 44 97 A Y S S- 0 0 9 -3,-0.2 136,-0.1 -5,-0.1 -1,-0.1 -0.845 107.1-114.3 -88.4 118.0 10.9 -9.8 7.0 45 98 A P + 0 0 6 0, 0.0 135,-2.3 0, 0.0 2,-0.3 -0.109 65.6 95.1 -59.4 145.3 8.9 -13.0 6.2 46 99 A G S S- 0 0 18 133,-0.3 2,-0.5 -4,-0.2 135,-0.2 -0.948 71.1 -62.3 159.7-175.1 5.7 -13.7 8.2 47 100 A D - 0 0 42 -2,-0.3 135,-2.2 768,-0.0 2,-0.7 -0.874 30.7-142.2-108.1 129.8 2.0 -13.2 8.2 48 101 A F B > -c 182 0B 10 -2,-0.5 3,-0.7 133,-0.2 2,-0.2 -0.800 30.4-140.0 -85.3 117.0 0.2 -9.9 8.3 49 102 A I T 3 S+ 0 0 2 133,-3.0 766,-0.2 -2,-0.7 5,-0.1 -0.538 74.6 4.7 -87.7 145.6 -2.8 -10.5 10.5 50 103 A D T 3> S+ 0 0 35 764,-2.4 4,-1.7 -2,-0.2 -1,-0.2 0.857 85.0 153.7 53.5 38.0 -6.3 -9.1 9.9 51 104 A Y H <> + 0 0 29 -3,-0.7 4,-2.4 763,-0.4 5,-0.2 0.915 62.4 48.6 -69.3 -47.6 -4.9 -7.8 6.6 52 105 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 111.2 52.7 -59.6 -39.8 -8.0 -7.6 4.5 53 106 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 108.8 50.7 -61.0 -40.1 -9.8 -5.8 7.3 54 107 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.917 107.0 52.8 -63.5 -45.9 -7.0 -3.3 7.5 55 108 A R H < S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.1 46.8 -56.6 -43.3 -7.1 -2.6 3.7 56 109 A E H >< S+ 0 0 120 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.889 109.7 52.4 -62.5 -45.2 -10.8 -2.0 4.1 57 110 A Q H 3< S+ 0 0 31 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.821 115.5 42.1 -60.7 -34.2 -10.3 0.3 7.2 58 111 A L T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.352 89.5 95.2 -95.7 4.8 -7.7 2.3 5.2 59 112 A S S < S+ 0 0 43 -3,-1.1 2,-0.5 1,-0.2 -1,-0.2 0.930 94.0 20.2 -65.8 -48.9 -9.7 2.4 1.9 60 113 A S S S+ 0 0 27 -4,-0.5 153,-1.2 -3,-0.2 2,-0.4 -0.966 74.2 172.8-130.2 116.5 -11.5 5.8 2.4 61 114 A V E -BD 29 212B 0 -32,-2.0 -32,-2.1 -2,-0.5 151,-0.2 -0.973 25.3-172.0-132.7 132.6 -10.1 8.3 4.8 62 115 A S E S+ 0 0 46 149,-1.8 2,-0.3 -2,-0.4 150,-0.2 0.634 84.3 15.2 -96.1 -22.4 -11.1 11.9 5.5 63 116 A S E + D 0 211B 18 148,-1.3 148,-1.8 -34,-0.1 -1,-0.3 -0.975 66.6 168.8-151.1 148.9 -8.1 12.6 7.8 64 117 A F E + D 0 210B 26 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.927 1.1 169.7-163.3 127.2 -4.9 10.8 8.4 65 118 A E E - D 0 209B 87 144,-2.2 144,-2.4 -2,-0.3 2,-0.4 -0.999 23.9-139.3-144.5 143.1 -1.6 11.6 10.2 66 119 A R E + D 0 208B 76 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.830 29.1 174.4 -95.8 136.6 1.5 9.6 11.3 67 120 A F E - D 0 207B 26 140,-2.6 140,-2.7 -2,-0.4 2,-1.5 -0.979 41.4-105.2-141.4 156.6 2.9 10.4 14.7 68 121 A E + 0 0 69 -2,-0.3 138,-0.3 138,-0.2 140,-0.0 -0.624 37.5 177.6 -83.9 89.0 5.7 9.0 16.9 69 122 A I S S+ 0 0 12 -2,-1.5 -1,-0.2 1,-0.3 137,-0.2 0.890 79.6 24.2 -61.0 -42.3 3.6 7.1 19.4 70 123 A F S S- 0 0 6 135,-1.5 -1,-0.3 -3,-0.2 5,-0.1 -0.838 91.1-135.8-126.2 92.6 6.7 5.8 21.3 71 124 A P >> - 0 0 45 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.184 10.0-137.8 -51.4 130.6 9.7 8.1 20.6 72 125 A K H 3> S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 9,-0.1 0.892 96.0 51.7 -58.0 -44.4 12.8 6.0 19.8 73 126 A T H 34 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.1 8,-0.0 0.720 124.2 21.4 -72.1 -22.3 15.2 8.0 21.9 74 127 A S H <4 S+ 0 0 84 -3,-0.6 -1,-0.2 1,-0.0 -2,-0.2 0.560 104.2 75.6-123.6 -12.7 13.3 8.0 25.2 75 128 A S H < S+ 0 0 7 -4,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.773 98.4 40.0 -76.8 -26.2 10.8 5.1 25.3 76 129 A W >< + 0 0 16 -4,-0.6 3,-1.3 -5,-0.2 -1,-0.2 -0.506 55.9 154.4-130.3 64.2 13.1 2.2 25.9 77 130 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 0.750 80.0 45.9 -64.3 -24.6 15.9 3.0 28.4 78 131 A N T 3 S+ 0 0 17 173,-0.1 29,-0.4 2,-0.0 2,-0.3 0.265 109.4 56.7-106.7 10.9 16.3 -0.6 29.5 79 132 A H S < S- 0 0 13 -3,-1.3 2,-0.7 27,-0.1 27,-0.2 -0.895 86.4-103.8-135.6 163.4 16.4 -2.3 26.1 80 133 A D B +I 105 0C 32 25,-2.6 25,-2.1 -2,-0.3 3,-0.1 -0.817 33.5 171.7 -94.8 117.5 18.5 -1.9 22.9 81 134 A S + 0 0 23 -2,-0.7 22,-0.1 23,-0.2 -1,-0.1 0.209 69.4 64.8-107.1 13.9 16.7 -0.1 20.2 82 135 A N S S+ 0 0 117 23,-0.1 -1,-0.1 1,-0.1 22,-0.1 0.586 90.3 58.1-109.9 -16.4 19.7 0.2 17.8 83 136 A K S S+ 0 0 137 1,-0.1 2,-2.1 20,-0.1 -2,-0.1 0.480 70.2 106.0 -95.5 -3.8 20.5 -3.4 16.8 84 137 A G + 0 0 10 19,-0.2 19,-0.4 -4,-0.1 2,-0.3 -0.326 48.9 118.4 -83.2 62.0 17.3 -4.5 15.3 85 138 A V - 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