==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-06 2HTU . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.J.RUSSELL,L.F.HAIRE,D.J.STEVENS,P.J.COLLINS,Y.P.LIN,G.M.BL . 387 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 59.4 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 . 134 34.6 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 . 1 0.3 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 . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 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 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 . 1 1 1 4 4 4 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 0 147 0, 0.0 153,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.6 33.6 34.4 -23.1 2 84 A Y - 0 0 66 1,-0.1 2,-0.4 151,-0.1 103,-0.3 -0.245 360.0-112.9 -61.7 143.3 31.5 31.8 -21.3 3 85 A M - 0 0 6 101,-1.9 150,-0.9 1,-0.1 2,-0.8 -0.622 24.4-136.8 -79.0 123.8 33.1 29.0 -19.3 4 86 A N + 0 0 81 -2,-0.4 326,-0.3 148,-0.1 3,-0.2 -0.758 33.4 163.6 -86.6 108.4 32.5 25.6 -20.8 5 87 A N + 0 0 6 -2,-0.8 199,-0.2 1,-0.1 197,-0.1 -0.538 40.3 113.4-119.6 58.7 31.7 23.2 -18.0 6 88 A T + 0 0 56 197,-0.1 -1,-0.1 -2,-0.1 199,-0.1 0.486 49.4 103.4-105.2 -10.3 30.3 20.5 -20.4 7 89 A E S S- 0 0 53 -3,-0.2 196,-0.7 196,-0.2 197,-0.6 -0.157 76.8-100.0 -72.5 166.2 33.0 17.9 -19.7 8 90 A A - 0 0 37 328,-0.3 330,-2.0 194,-0.3 2,-0.3 -0.509 43.0 -95.6 -84.0 155.3 32.7 14.8 -17.6 9 91 A I B -a 338 0A 15 328,-0.2 330,-0.2 -2,-0.2 -1,-0.1 -0.561 46.7-108.6 -72.8 131.3 34.0 14.7 -14.0 10 92 A a - 0 0 8 328,-2.3 2,-0.6 -2,-0.3 -1,-0.1 -0.223 28.6-113.4 -57.0 145.6 37.5 13.2 -13.9 11 93 A D - 0 0 89 -3,-0.1 2,-0.4 262,-0.1 -1,-0.1 -0.756 40.2-161.9 -83.7 119.4 37.8 9.7 -12.4 12 94 A A - 0 0 1 -2,-0.6 357,-0.2 1,-0.1 3,-0.1 -0.850 26.0-171.3-109.4 143.5 39.8 10.2 -9.1 13 95 A K S S- 0 0 97 355,-1.4 2,-0.3 -2,-0.4 356,-0.2 0.634 74.7 -8.1-100.2 -21.7 41.7 7.6 -7.1 14 96 A G - 0 0 0 354,-1.4 2,-0.4 357,-0.2 -1,-0.2 -0.919 68.4-106.9-160.2-177.5 42.5 9.9 -4.1 15 97 A F - 0 0 0 -2,-0.3 352,-0.2 357,-0.1 353,-0.2 -0.988 19.2-160.0-133.0 131.7 42.4 13.4 -2.8 16 98 A A E -B 366 0B 30 350,-2.4 350,-2.6 -2,-0.4 2,-0.1 -0.785 33.0 -99.4-106.5 147.5 45.2 16.0 -2.2 17 99 A P E +B 365 0B 71 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.421 34.2 177.6 -67.3 136.1 45.0 19.0 0.0 18 100 A F E - 0 0 90 346,-4.7 2,-0.3 1,-0.4 347,-0.2 0.826 61.6 -23.9 -98.3 -56.6 44.3 22.3 -1.8 19 101 A S E -B 364 0B 23 345,-1.1 345,-3.1 64,-0.0 -1,-0.4 -0.950 38.9-159.6-154.0 171.7 44.2 24.7 1.2 20 102 A K E -B 363 0B 57 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.895 8.9-164.4-155.6 120.4 43.6 25.2 4.9 21 103 A D - 0 0 12 341,-1.2 63,-0.2 -2,-0.3 342,-0.1 0.759 14.8-150.1 -87.1 -23.3 42.8 28.7 6.2 22 104 A N > + 0 0 50 340,-0.5 4,-2.3 61,-0.1 5,-0.3 0.829 34.8 162.3 58.3 32.4 43.4 28.4 10.0 23 105 A G H > + 0 0 1 1,-0.2 4,-2.2 2,-0.2 338,-0.1 0.878 66.0 42.5 -51.0 -50.8 40.7 31.0 10.5 24 106 A I H 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.935 112.8 51.1 -66.9 -48.6 40.0 30.4 14.2 25 107 A R H >4 S+ 0 0 131 354,-0.3 3,-1.1 1,-0.2 4,-0.2 0.917 115.1 44.0 -55.5 -44.1 43.6 30.0 15.3 26 108 A I H >X S+ 0 0 80 -4,-2.3 4,-3.2 1,-0.2 3,-2.1 0.908 104.3 67.2 -65.4 -40.1 44.5 33.3 13.6 27 109 A G T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 5,-0.2 0.479 78.0 80.6 -60.1 -5.3 41.4 34.8 15.0 28 110 A S T <4 S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.4 358,-0.2 0.760 123.9 -2.8 -72.7 -24.0 42.8 34.6 18.5 29 111 A R T <4 S+ 0 0 233 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.472 122.0 78.8-139.2 -24.5 44.7 37.8 17.8 30 112 A G S < S- 0 0 23 -4,-3.2 2,-1.1 -5,-0.2 28,-0.1 -0.324 90.1 -97.3 -86.0 174.2 44.0 38.7 14.2 31 113 A H + 0 0 98 -2,-0.1 56,-1.9 26,-0.1 2,-0.4 -0.726 57.7 161.3 -97.5 88.6 40.8 40.4 12.9 32 114 A I B -E 86 0C 4 -2,-1.1 26,-2.4 54,-0.2 54,-0.2 -0.900 40.7-118.6-113.4 132.4 38.7 37.5 11.6 33 115 A F E -F 57 0D 23 52,-2.5 24,-0.3 -2,-0.4 2,-0.2 -0.448 30.2-119.6 -64.7 132.0 35.0 37.5 10.9 34 116 A V E + 0 0 1 22,-2.7 20,-0.9 -2,-0.2 22,-0.3 -0.590 54.5 172.4 -66.4 137.8 33.1 35.0 13.1 35 117 A I E -F 53 0D 5 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.768 31.0-172.6-139.4-172.4 31.6 32.8 10.4 36 118 A R E +F 52 0D 27 16,-0.7 16,-2.0 -2,-0.2 324,-0.1 -0.912 64.1 36.8-175.3 161.1 29.8 29.6 9.5 37 119 A E E - 0 0 6 -2,-0.3 2,-0.2 14,-0.2 -1,-0.1 0.932 68.5-178.0 50.8 62.0 28.8 27.8 6.3 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.570 3.8 172.2 -88.5 157.5 32.0 28.3 4.2 39 121 A F E -F 50 0D 1 11,-2.4 11,-3.2 -2,-0.2 2,-0.4 -0.987 24.6-125.0-157.2 162.7 32.3 27.0 0.6 40 122 A V E +F 49 0D 1 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.890 25.0 166.1-116.3 145.4 34.5 27.2 -2.5 41 123 A S E -F 48 0D 3 7,-1.6 7,-3.1 -2,-0.4 2,-0.4 -0.968 21.1-142.7-152.5 146.0 33.7 28.1 -6.1 42 124 A b E -F 47 0D 9 285,-0.3 61,-0.5 -2,-0.3 5,-0.3 -0.926 7.4-159.6-124.9 145.0 36.1 28.9 -8.9 43 125 A S - 0 0 5 3,-4.0 65,-0.0 -2,-0.4 63,-0.0 -0.463 49.4 -91.1-101.9 178.9 36.3 31.3 -11.8 44 126 A P S S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.642 128.5 35.9 -68.6 -8.9 38.5 30.7 -14.9 45 127 A I S S- 0 0 129 1,-0.3 2,-0.3 287,-0.0 -3,-0.0 0.684 125.9 -1.8-114.7 -27.3 41.2 32.7 -13.0 46 128 A E - 0 0 37 2,-0.0 -3,-4.0 34,-0.0 2,-0.4 -0.994 55.5-121.2-161.7 162.7 40.9 31.8 -9.3 47 129 A b E -F 42 0D 14 -2,-0.3 34,-2.4 -5,-0.3 2,-0.3 -0.893 31.1-162.9-107.7 139.8 39.0 29.9 -6.6 48 130 A R E -FG 41 80D 12 -7,-3.1 -7,-1.6 -2,-0.4 2,-0.6 -0.830 17.5-131.1-121.9 159.5 37.4 31.8 -3.8 49 131 A T E -FG 40 79D 4 30,-3.0 30,-1.1 -2,-0.3 2,-0.3 -0.948 24.5-161.5-112.0 112.5 36.1 30.9 -0.3 50 132 A F E +FG 39 78D 0 -11,-3.2 -11,-2.4 -2,-0.6 2,-0.3 -0.654 15.4 172.7 -91.6 151.7 32.7 32.2 0.4 51 133 A F E - G 0 77D 2 26,-2.4 26,-2.4 -2,-0.3 2,-0.7 -0.994 35.6-117.4-156.3 159.7 31.4 32.5 3.9 52 134 A L E -FG 36 76D 1 -16,-2.0 -16,-0.7 -2,-0.3 24,-0.2 -0.885 32.4-161.3-103.0 109.1 28.6 33.7 6.1 53 135 A T E -F 35 0D 0 22,-3.2 22,-0.3 -2,-0.7 -18,-0.2 -0.230 18.2-141.6 -77.3 175.1 29.8 36.3 8.5 54 136 A Q E - 0 0 11 -20,-0.9 20,-0.2 2,-0.5 -19,-0.1 0.052 50.4-102.1-124.2 20.7 27.8 37.2 11.6 55 137 A G E S+ 0 0 49 -21,-0.2 2,-0.3 1,-0.2 19,-0.1 0.662 96.1 81.6 67.7 18.5 28.7 40.9 11.4 56 138 A S E S- 0 0 7 -22,-0.3 -22,-2.7 7,-0.1 -2,-0.5 -0.913 71.0-117.4-146.4 170.6 31.2 40.5 14.2 57 139 A L E > -F 33 0D 48 -24,-0.3 3,-0.9 -2,-0.3 -24,-0.2 -0.783 33.6 -93.1-116.3 158.3 34.8 39.3 14.9 58 140 A L T 3 S+ 0 0 8 -26,-2.4 -26,-0.2 -2,-0.3 3,-0.1 -0.373 108.0 22.1 -66.2 143.2 36.5 36.6 16.9 59 141 A N T 3 S+ 0 0 45 1,-0.3 2,-0.3 328,-0.2 -1,-0.2 0.752 101.9 109.1 68.4 28.6 37.5 37.5 20.5 60 142 A D S X S- 0 0 64 -3,-0.9 3,-2.1 327,-0.2 -1,-0.3 -0.963 81.2-116.0-131.1 148.2 35.1 40.4 20.6 61 143 A K G > S+ 0 0 168 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.766 108.7 71.5 -55.0 -28.6 31.9 40.6 22.6 62 144 A H G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.542 81.9 72.9 -67.6 -5.5 29.7 40.8 19.4 63 145 A S G X S+ 0 0 0 -3,-2.1 3,-1.1 -6,-0.2 -1,-0.3 0.360 71.8 113.8 -88.0 6.4 30.5 37.1 18.9 64 146 A N T < S+ 0 0 99 -3,-1.7 2,-0.3 1,-0.2 -1,-0.1 0.917 83.1 14.3 -43.1 -92.5 28.2 36.3 21.8 65 147 A G T > S+ 0 0 30 1,-0.1 2,-3.4 292,-0.1 3,-1.9 0.069 80.9 145.9 -81.1 32.1 25.1 34.4 20.5 66 148 A T T < + 0 0 9 -3,-1.1 292,-0.3 -2,-0.3 -1,-0.1 -0.162 55.0 73.5 -66.0 52.8 26.8 33.6 17.2 67 149 A V T 3 + 0 0 44 -2,-3.4 -1,-0.3 290,-0.1 -2,-0.1 0.355 61.9 103.6-136.2 -11.8 25.1 30.2 16.9 68 150 A K S < S- 0 0 111 -3,-1.9 2,-3.8 1,-0.2 -2,-0.1 0.311 72.4-144.5 -60.6 5.4 21.6 31.6 16.1 69 151 A D S S+ 0 0 77 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.121 74.0 49.2 60.1 -50.2 21.9 30.7 12.3 70 152 A R + 0 0 77 -2,-3.8 -3,-0.1 -16,-0.0 44,-0.1 -0.972 58.1 134.4-130.8 137.9 19.9 33.8 11.2 71 153 A S > - 0 0 12 -2,-0.4 3,-0.8 45,-0.0 44,-0.1 -0.964 59.5-104.8-163.0 166.2 20.1 37.6 11.9 72 154 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.0 0, 0.0 -17,-0.0 0.380 115.8 61.8 -82.7 8.1 20.0 40.9 10.0 73 155 A F T 3 S+ 0 0 117 -19,-0.1 2,-0.3 22,-0.0 -18,-0.1 0.522 76.3 112.0-105.3 -10.6 23.8 41.2 10.5 74 156 A R < + 0 0 8 -3,-0.8 22,-1.4 -20,-0.2 2,-0.3 -0.473 45.0 177.8 -69.1 125.6 24.7 38.1 8.6 75 157 A T E - H 0 95D 23 -22,-0.3 -22,-3.2 20,-0.3 2,-0.5 -0.976 29.3-127.5-133.9 147.6 26.5 38.8 5.3 76 158 A L E +GH 52 94D 0 18,-3.3 17,-2.1 -2,-0.3 18,-1.7 -0.805 40.3 161.9 -91.1 126.4 28.0 36.7 2.5 77 159 A M E -GH 51 92D 20 -26,-2.4 -26,-2.4 -2,-0.5 2,-0.3 -0.828 19.0-150.3-136.1 174.7 31.6 37.6 1.8 78 160 A S E +GH 50 91D 0 13,-1.8 13,-2.8 -2,-0.3 2,-0.3 -0.979 13.2 177.9-149.3 161.6 34.6 36.0 -0.0 79 161 A V E -G 49 0D 1 -30,-1.1 -30,-3.0 -2,-0.3 2,-0.2 -0.870 52.2 -71.1-149.1 171.6 38.4 35.8 -0.1 80 162 A E E > -G 48 0D 92 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.535 69.0 -89.1 -71.0 140.9 40.8 33.8 -2.3 81 163 A V T 3 S+ 0 0 21 -34,-2.4 -1,-0.1 1,-0.3 -34,-0.1 -0.226 115.6 31.5 -51.6 136.0 40.7 30.2 -1.3 82 164 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.3 -63,-0.1 2,-0.2 0.028 91.8 107.3 103.3 -27.9 43.2 29.5 1.5 83 165 A Q S < S- 0 0 49 -3,-2.3 -1,-0.4 1,-0.1 -62,-0.1 -0.606 76.6-109.5 -83.9 148.4 43.0 33.0 3.2 84 166 A S - 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