==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-12 4D8S . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR P.S.KERRY,R.J.M.R.RUSSELL . 388 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 40 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 3 2 7 3 1 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 . 0 0 5 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 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 83 A T 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.9 -10.3 -10.5 -43.5 2 84 A Y - 0 0 121 1,-0.1 2,-0.5 151,-0.1 103,-0.3 -0.082 360.0-122.2 -54.8 155.1 -12.9 -12.9 -42.1 3 85 A M - 0 0 6 101,-1.7 2,-1.1 2,-0.0 150,-0.8 -0.911 15.2-140.9-112.6 123.9 -11.6 -15.9 -40.2 4 86 A N > + 0 0 47 -2,-0.5 2,-0.8 149,-0.2 3,-0.5 -0.691 23.3 173.7 -91.3 96.0 -12.6 -19.4 -41.4 5 87 A N T 3 + 0 0 7 -2,-1.1 199,-0.3 146,-0.4 -1,-0.1 -0.334 47.4 116.9 -89.6 52.3 -13.4 -21.8 -38.5 6 88 A T T 3 + 0 0 56 -2,-0.8 -1,-0.2 197,-0.1 198,-0.2 0.806 45.8 95.8 -85.9 -35.5 -14.4 -24.3 -41.1 7 89 A E S < S- 0 0 46 -3,-0.5 197,-0.6 196,-0.2 196,-0.2 0.015 74.3-115.8 -57.7 162.3 -11.8 -27.0 -40.4 8 90 A A - 0 0 29 194,-0.3 330,-2.0 195,-0.2 2,-0.4 -0.229 47.1 -75.3 -82.4-175.6 -12.3 -30.0 -38.2 9 91 A I B -a 338 0A 18 328,-0.2 2,-0.4 -2,-0.1 330,-0.2 -0.681 41.5-114.2 -87.2 134.0 -10.4 -30.5 -35.0 10 92 A a - 0 0 10 328,-1.0 2,-0.2 -2,-0.4 -1,-0.1 -0.516 38.7-117.1 -56.9 117.1 -6.8 -31.6 -35.0 11 93 A D - 0 0 67 -2,-0.4 2,-0.3 328,-0.1 -1,-0.1 -0.499 42.8-158.3 -56.9 125.3 -7.0 -35.1 -33.5 12 94 A A - 0 0 3 -2,-0.2 357,-0.2 1,-0.1 3,-0.1 -0.875 27.7-166.2-123.2 150.0 -4.9 -34.6 -30.3 13 95 A K S S- 0 0 73 355,-1.8 2,-0.2 -2,-0.3 356,-0.2 0.806 70.9 -2.9-103.1 -38.9 -3.0 -36.9 -28.0 14 96 A G E -B 368 0B 0 354,-0.9 354,-1.5 356,-0.4 2,-0.4 -0.775 65.3-112.4-140.0-172.8 -2.2 -34.8 -24.9 15 97 A F E -B 367 0B 0 -2,-0.2 352,-0.2 352,-0.2 357,-0.1 -0.989 22.5-163.9-133.2 126.4 -2.4 -31.3 -23.5 16 98 A A E -B 366 0B 29 350,-2.6 350,-2.3 -2,-0.4 356,-0.0 -0.854 34.7 -93.6-108.7 143.8 0.5 -29.0 -22.8 17 99 A P E +B 365 0B 67 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.236 39.0 175.0 -55.2 135.5 0.4 -25.8 -20.6 18 100 A F E - 0 0 82 346,-2.7 2,-0.3 1,-0.4 347,-0.2 0.762 60.1 -18.2-110.8 -49.1 -0.3 -22.6 -22.5 19 101 A S E -B 364 0B 17 345,-1.0 345,-2.1 63,-0.0 -1,-0.4 -0.976 43.5-167.5-155.7 168.1 -0.6 -20.0 -19.8 20 102 A K E -B 363 0B 53 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.862 5.0-166.3-161.1 124.6 -1.1 -19.3 -16.0 21 103 A D - 0 0 7 341,-0.7 63,-0.3 -2,-0.3 342,-0.1 0.802 13.9-153.6 -90.3 -28.8 -1.9 -15.9 -14.5 22 104 A N >> + 0 0 49 340,-0.5 4,-2.4 61,-0.1 3,-0.6 0.716 36.2 158.7 59.2 22.1 -1.3 -16.5 -10.8 23 105 A G H 3> + 0 0 3 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.831 65.9 46.6 -42.9 -51.0 -3.7 -13.6 -10.3 24 106 A I H 3> S+ 0 0 2 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.859 112.9 48.8 -67.8 -36.1 -4.7 -14.5 -6.8 25 107 A R H <4 S+ 0 0 138 -3,-0.6 3,-0.3 354,-0.2 -1,-0.2 0.828 116.9 44.0 -67.6 -34.4 -1.1 -15.0 -5.6 26 108 A I H >X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 3,-1.6 0.830 102.2 68.5 -78.0 -32.9 -0.3 -11.7 -7.3 27 109 A G H 3< S+ 0 0 1 -4,-2.6 5,-0.3 -5,-0.3 -1,-0.2 0.687 78.2 79.0 -62.4 -21.3 -3.4 -10.0 -5.9 28 110 A S T 3< S+ 0 0 61 -4,-0.6 -1,-0.3 -3,-0.3 358,-0.1 0.832 121.7 3.3 -56.2 -31.9 -2.1 -10.2 -2.3 29 111 A R T <4 S+ 0 0 203 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.713 121.7 67.8-120.0 -55.5 0.0 -7.1 -3.2 30 112 A G S < S- 0 0 28 -4,-2.1 2,-0.9 1,-0.1 0, 0.0 0.094 92.9 -95.0 -60.1 179.8 -0.8 -5.9 -6.7 31 113 A H + 0 0 92 26,-0.1 56,-1.9 -3,-0.0 2,-0.3 -0.751 59.5 160.4-102.9 85.4 -4.1 -4.4 -7.9 32 114 A I B -E 86 0C 4 -2,-0.9 26,-2.6 -5,-0.3 54,-0.2 -0.822 39.4-113.9-110.1 144.8 -6.0 -7.4 -9.2 33 115 A F E -F 57 0D 27 52,-2.5 2,-0.6 -2,-0.3 24,-0.3 -0.475 26.0-116.2 -71.8 143.2 -9.7 -7.6 -9.8 34 116 A V E + 0 0 0 22,-1.8 20,-1.5 -2,-0.1 22,-0.4 -0.760 57.9 177.0 -72.6 124.4 -11.7 -10.0 -7.7 35 117 A I E +F 53 0D 2 -2,-0.6 325,-0.5 18,-0.2 2,-0.3 -0.762 30.3 179.4-134.2 173.6 -12.9 -12.2 -10.7 36 118 A R E +F 52 0D 33 16,-1.0 16,-2.4 -2,-0.2 3,-0.2 -0.947 64.8 40.2-166.7 160.4 -14.8 -15.3 -11.8 37 119 A E E - 0 0 12 -2,-0.3 2,-1.9 1,-0.2 -1,-0.1 0.894 64.8-176.2 58.9 45.2 -15.6 -17.0 -15.1 38 120 A P E + 0 0 1 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.501 12.4 172.9 -76.8 81.8 -12.1 -16.4 -16.6 39 121 A F E -F 50 0D 0 -2,-1.9 11,-3.6 11,-0.6 2,-0.3 -0.433 22.8-134.5 -92.2 166.1 -12.6 -17.8 -20.1 40 122 A V E +F 49 0D 0 9,-0.2 108,-0.4 -2,-0.1 2,-0.3 -0.834 24.1 167.2-117.3 151.8 -10.3 -17.7 -23.1 41 123 A S E -F 48 0D 4 7,-1.8 7,-2.3 -2,-0.3 2,-0.3 -0.895 18.4-141.7-167.9 136.9 -10.9 -16.8 -26.7 42 124 A b E -F 47 0D 8 285,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.682 7.2-164.0-111.8 154.3 -8.7 -16.1 -29.7 43 125 A S - 0 0 4 3,-2.9 61,-0.0 -2,-0.3 65,-0.0 -0.693 52.9 -84.1-117.1 175.8 -8.7 -13.8 -32.8 44 126 A P S S+ 0 0 27 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.640 129.9 24.5 -53.3 -11.3 -6.6 -14.1 -35.9 45 127 A I S S+ 0 0 144 1,-0.3 2,-0.3 287,-0.0 -3,-0.0 0.686 122.0 22.3-128.4 -35.0 -3.9 -12.2 -33.9 46 128 A E - 0 0 50 -5,-0.0 -3,-2.9 2,-0.0 2,-0.4 -0.981 54.8-133.7-141.7 153.4 -4.3 -12.7 -30.1 47 129 A b E -F 42 0D 11 -2,-0.3 34,-2.5 -5,-0.3 2,-0.4 -0.909 31.5-164.2-100.7 135.5 -5.7 -14.9 -27.4 48 130 A R E -FG 41 80D 12 -7,-2.3 -7,-1.8 -2,-0.4 2,-0.6 -0.928 20.7-137.1-124.7 145.4 -7.5 -13.2 -24.6 49 131 A T E -FG 40 79D 3 30,-3.0 30,-2.5 -2,-0.4 2,-0.3 -0.889 24.7-163.8 -93.1 118.5 -8.7 -14.0 -21.1 50 132 A F E +FG 39 78D 0 -11,-3.6 -11,-0.6 -2,-0.6 2,-0.3 -0.720 15.8 172.0 -97.7 152.3 -12.2 -12.6 -20.5 51 133 A F E - G 0 77D 0 26,-2.6 26,-2.1 -2,-0.3 2,-0.5 -0.983 34.1-122.3-154.3 168.2 -13.5 -12.3 -17.0 52 134 A L E -FG 36 76D 0 -16,-2.4 -16,-1.0 -2,-0.3 24,-0.2 -0.975 29.1-160.9-117.1 118.5 -16.2 -11.0 -14.7 53 135 A T E -FG 35 75D 0 22,-2.4 22,-0.8 -2,-0.5 -18,-0.2 -0.547 24.9-136.0 -91.4 160.6 -15.2 -8.7 -11.9 54 136 A Q E - 0 0 13 -20,-1.5 20,-0.2 2,-0.3 3,-0.1 0.015 57.5-101.9 -96.9 23.0 -17.1 -7.9 -8.7 55 137 A G E S+ 0 0 41 -21,-0.3 2,-0.2 1,-0.2 19,-0.1 0.732 96.3 87.6 67.7 17.2 -16.2 -4.3 -9.4 56 138 A S E S- 0 0 13 -22,-0.4 -22,-1.8 7,-0.1 2,-0.3 -0.788 71.9-116.0-139.8-179.7 -13.5 -4.7 -6.7 57 139 A L E > -F 33 0D 46 -24,-0.3 3,-1.0 -2,-0.2 6,-0.4 -0.920 37.8 -93.7-124.1 149.8 -9.9 -5.7 -6.1 58 140 A L T 3 S+ 0 0 7 -26,-2.6 -26,-0.1 -2,-0.3 3,-0.1 -0.158 108.3 22.1 -53.8 154.4 -8.4 -8.5 -4.1 59 141 A N T 3 S+ 0 0 41 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.739 100.9 110.5 55.1 28.5 -7.4 -7.6 -0.5 60 142 A D S X S- 0 0 66 -3,-1.0 3,-1.2 1,-0.0 -1,-0.2 -0.879 80.4-115.8-124.1 161.1 -9.8 -4.6 -0.4 61 143 A K G > S+ 0 0 146 -2,-0.3 3,-1.5 1,-0.3 -2,-0.1 0.759 110.7 67.5 -69.6 -22.5 -13.0 -4.3 1.6 62 144 A H G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.678 86.4 67.6 -73.1 -16.7 -15.1 -4.1 -1.5 63 145 A S G X S+ 0 0 0 -3,-1.2 3,-1.4 -6,-0.4 2,-0.4 0.413 76.3 121.1 -79.2 2.2 -14.2 -7.8 -2.3 64 146 A N T < S+ 0 0 100 -3,-1.5 293,-0.2 1,-0.3 292,-0.1 -0.559 80.1 8.4 -70.6 122.4 -16.3 -8.6 0.7 65 147 A G T > S+ 0 0 23 291,-3.7 3,-1.3 -2,-0.4 -1,-0.3 0.673 77.1 150.3 81.3 18.8 -19.2 -10.8 -0.2 66 148 A T T < + 0 0 9 -3,-1.4 291,-0.1 290,-0.6 -1,-0.1 0.073 51.9 88.3 -74.2 27.8 -18.0 -11.5 -3.7 67 149 A V T 3 + 0 0 58 289,-0.2 -1,-0.3 -2,-0.2 290,-0.1 0.863 60.6 103.0 -80.7 -46.3 -19.7 -14.9 -3.5 68 150 A K < - 0 0 154 -3,-1.3 3,-0.1 1,-0.1 290,-0.1 -0.044 65.4-152.3 -40.0 128.9 -22.9 -13.3 -4.8 69 151 A D S S+ 0 0 95 1,-0.2 2,-0.4 5,-0.0 -1,-0.1 0.704 74.0 46.6 -85.7 -22.8 -23.2 -14.2 -8.5 70 152 A R + 0 0 104 -16,-0.0 -1,-0.2 44,-0.0 47,-0.1 -0.875 63.9 148.8-133.6 102.8 -25.2 -11.3 -9.8 71 153 A S > - 0 0 14 -2,-0.4 3,-1.0 -3,-0.1 25,-0.1 -0.904 51.2-124.1-128.0 157.0 -24.4 -7.6 -9.0 72 154 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.0 0, 0.0 -17,-0.0 0.564 112.5 60.5 -72.8 -8.6 -24.8 -4.3 -10.9 73 155 A F T 3 S+ 0 0 137 -19,-0.1 2,-0.2 22,-0.1 -18,-0.1 0.541 79.9 116.2 -91.0 -10.3 -21.1 -3.7 -10.3 74 156 A R < + 0 0 9 -3,-1.0 22,-1.5 -20,-0.2 2,-0.4 -0.391 42.7 177.1 -65.5 129.0 -20.3 -6.8 -12.3 75 157 A T E -GH 53 95D 22 -22,-0.8 -22,-2.4 20,-0.3 2,-0.6 -0.996 29.8-131.5-138.6 143.1 -18.4 -6.2 -15.6 76 158 A L E +GH 52 94D 0 18,-3.4 17,-2.5 -2,-0.4 18,-2.2 -0.822 39.9 160.1 -88.6 118.7 -16.9 -8.3 -18.3 77 159 A M E -GH 51 92D 19 -26,-2.1 -26,-2.6 -2,-0.6 2,-0.3 -0.774 21.2-144.3-129.5 179.5 -13.3 -7.2 -19.1 78 160 A S E -GH 50 91D 0 13,-1.8 13,-2.5 -28,-0.2 2,-0.3 -0.994 14.1-178.5-149.2 151.9 -10.3 -8.9 -20.8 79 161 A V E -G 49 0D 0 -30,-2.5 -30,-3.0 -2,-0.3 2,-0.2 -0.862 47.0 -79.6-135.5 172.1 -6.6 -9.3 -20.8 80 162 A E E > -G 48 0D 99 -2,-0.3 3,-2.1 -32,-0.3 -32,-0.3 -0.543 65.9 -87.7 -72.3 142.3 -4.1 -11.1 -23.0 81 163 A V T 3 S+ 0 0 26 -34,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.100 115.2 25.2 -52.9 148.9 -4.0 -14.8 -22.1 82 164 A G T 3 S+ 0 0 25 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.023 98.0 110.0 85.4 -29.2 -1.5 -15.7 -19.3 83 165 A Q S < S- 0 0 53 -3,-2.1 -1,-0.3 1,-0.1 -62,-0.2 -0.596 75.7-112.7 -78.4 139.0 -1.8 -12.1 -18.0 84 166 A S - 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