==== 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 2HTW . 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 . 388 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 29.6 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 . 0 0.0 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 . 43 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 1 8 1 4 1 0 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 . 2 1 4 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 82 A V 0 0 177 0, 0.0 2,-0.3 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 -35.7 2.5 -12.1 -92.5 2 83 A I - 0 0 105 104,-0.0 43,-0.1 330,-0.0 2,-0.1 -0.889 360.0-114.0-117.6 144.3 3.9 -15.6 -93.2 3 84 A H - 0 0 83 -2,-0.3 2,-0.4 103,-0.1 103,-0.2 -0.354 34.9-101.2 -75.3 149.9 3.2 -19.0 -91.7 4 85 A Y - 0 0 8 101,-3.3 150,-2.4 -2,-0.1 151,-0.5 -0.614 48.4-151.2 -68.0 122.1 5.7 -21.0 -89.6 5 86 A S - 0 0 32 -2,-0.4 326,-0.1 148,-0.2 2,-0.1 -0.383 3.0-122.1 -93.5 173.9 6.9 -23.6 -92.1 6 87 A S S S+ 0 0 38 1,-0.1 -1,-0.1 -2,-0.1 147,-0.0 -0.385 70.8 67.1-106.6-175.4 8.2 -27.1 -91.5 7 88 A G + 0 0 43 1,-0.2 2,-0.3 199,-0.1 -1,-0.1 0.993 64.3 132.3 66.7 66.7 11.3 -29.1 -92.2 8 89 A K - 0 0 52 -3,-0.1 196,-0.5 330,-0.0 2,-0.2 -0.960 45.2-135.3-150.5 128.8 14.0 -27.4 -90.0 9 90 A D - 0 0 115 328,-0.3 330,-0.4 -2,-0.3 2,-0.3 -0.574 34.2 -95.3 -88.5 145.8 16.6 -28.9 -87.6 10 91 A L - 0 0 18 -2,-0.2 330,-0.2 263,-0.2 3,-0.1 -0.386 53.4-116.1 -58.0 113.5 17.4 -27.7 -84.1 11 92 A a - 0 0 3 328,-3.0 2,-0.1 -2,-0.3 -1,-0.1 0.116 42.0 -73.8 -45.4 164.1 20.4 -25.4 -84.7 12 93 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.415 50.6-161.6 -64.7 131.7 23.8 -26.3 -83.3 13 94 A V + 0 0 12 -3,-0.1 357,-0.2 1,-0.1 3,-0.1 -0.902 28.2 157.6-128.2 107.8 23.9 -25.6 -79.5 14 95 A K S S- 0 0 138 355,-0.9 2,-0.3 -2,-0.5 356,-0.2 0.815 73.8 -3.2 -89.6 -39.9 27.2 -25.3 -77.7 15 96 A G - 0 0 0 354,-1.7 2,-0.5 353,-0.5 -1,-0.3 -0.998 68.7-108.8-156.5 153.2 25.9 -23.4 -74.7 16 97 A W - 0 0 1 -2,-0.3 358,-0.2 -3,-0.1 352,-0.2 -0.730 28.9-158.2 -89.6 123.8 22.8 -21.8 -73.2 17 98 A A E -A 367 0A 26 350,-1.8 350,-2.7 -2,-0.5 2,-0.5 -0.764 28.8-104.7 -97.3 143.5 22.7 -18.0 -73.2 18 99 A P E +A 366 0A 84 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.539 37.6 175.7 -72.3 117.4 20.4 -16.2 -70.7 19 100 A L E - 0 0 67 346,-3.4 2,-0.3 -2,-0.5 347,-0.2 0.922 60.9 -19.0 -86.6 -49.3 17.4 -14.8 -72.5 20 101 A S E -A 365 0A 23 345,-2.1 345,-0.8 63,-0.0 2,-0.3 -0.887 41.3-167.0-169.7 134.4 15.4 -13.4 -69.6 21 102 A K E -A 364 0A 57 -2,-0.3 343,-0.2 343,-0.2 359,-0.0 -0.880 10.0-168.7-112.9 148.5 14.8 -13.4 -65.9 22 103 A D - 0 0 11 341,-1.8 5,-0.2 -2,-0.3 342,-0.1 0.422 18.2-146.4-123.0 1.7 11.7 -11.8 -64.4 23 104 A N > + 0 0 53 340,-0.4 4,-2.4 356,-0.1 5,-0.3 0.776 37.2 164.0 36.7 33.4 12.0 -11.5 -60.6 24 105 A G H >> S+ 0 0 2 1,-0.2 4,-1.3 339,-0.2 3,-0.6 0.939 70.5 37.9 -41.2 -69.1 8.3 -12.1 -60.6 25 106 A I H 34 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.766 112.4 57.4 -57.2 -33.3 8.1 -12.9 -56.9 26 107 A R H >4 S+ 0 0 123 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.893 108.3 46.9 -66.8 -39.4 10.8 -10.4 -55.8 27 108 A I H XX S+ 0 0 82 -4,-2.4 4,-2.2 -3,-0.6 3,-1.0 0.780 103.7 63.9 -71.5 -25.7 8.8 -7.6 -57.3 28 109 A G T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.578 75.8 90.9 -73.8 -8.8 5.7 -9.0 -55.7 29 110 A S T <4 S- 0 0 53 -3,-1.1 358,-0.3 -4,-0.3 -1,-0.2 0.880 123.5 -13.4 -52.2 -39.6 7.4 -8.3 -52.3 30 111 A R T <4 S+ 0 0 233 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.306 122.2 95.1-142.6 -3.7 5.6 -4.9 -52.5 31 112 A G S < S- 0 0 29 -4,-2.2 2,-1.2 -5,-0.2 28,-0.0 -0.306 84.9 -99.7 -89.0 176.0 4.5 -4.7 -56.1 32 113 A E + 0 0 118 -2,-0.1 2,-0.3 26,-0.1 57,-0.3 -0.732 64.0 152.2 -95.4 84.1 1.1 -5.6 -57.7 33 114 A V - 0 0 2 -2,-1.2 26,-1.9 26,-0.2 54,-0.2 -0.907 45.1-112.3-119.9 148.0 2.0 -9.0 -59.1 34 115 A F B -D 58 0B 30 52,-2.1 2,-0.7 -2,-0.3 24,-0.3 -0.466 28.8-116.9 -75.2 142.4 -0.1 -12.1 -59.8 35 116 A V + 0 0 0 22,-3.4 20,-2.3 -2,-0.2 22,-0.3 -0.719 53.9 177.3 -78.8 120.6 0.3 -15.2 -57.8 36 117 A I + 0 0 7 -2,-0.7 2,-0.2 325,-0.2 18,-0.1 -0.548 28.3 159.1-122.6-175.9 1.4 -17.6 -60.4 37 118 A R + 0 0 16 323,-0.2 16,-1.7 -2,-0.2 324,-0.1 -0.810 61.1 50.4 169.9 159.2 2.6 -21.2 -61.2 38 119 A E S S+ 0 0 4 -2,-0.2 16,-0.1 14,-0.2 2,-0.1 0.854 73.0 166.1 65.5 36.6 2.8 -23.3 -64.3 39 120 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 13,-0.2 -0.326 7.8 161.6 -80.8 169.0 4.5 -20.7 -66.4 40 121 A F E -E 51 0C 5 11,-1.5 11,-2.9 108,-0.1 2,-0.2 -0.871 30.9-113.9-179.7 149.0 6.2 -21.2 -69.8 41 122 A I E +E 50 0C 6 -2,-0.2 108,-0.4 9,-0.2 2,-0.3 -0.502 25.9 174.7 -94.6 163.7 7.3 -19.2 -72.8 42 123 A S E -E 49 0C 0 7,-1.8 7,-2.6 -2,-0.2 2,-0.3 -0.832 11.6-157.2-166.4 125.6 6.1 -19.2 -76.4 43 124 A b E -E 48 0C 3 285,-0.6 61,-0.3 5,-0.3 5,-0.2 -0.741 8.0-172.5-110.3 159.5 7.1 -17.0 -79.3 44 125 A S - 0 0 12 3,-1.7 65,-0.0 -2,-0.3 289,-0.0 -0.513 56.9 -71.3-125.0-167.3 5.4 -16.1 -82.6 45 126 A I S S+ 0 0 29 61,-1.9 3,-0.1 -2,-0.2 -2,-0.0 0.890 124.7 13.1 -62.4 -43.1 7.2 -14.1 -85.3 46 127 A N S S+ 0 0 156 60,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.875 123.2 44.0-100.8 -48.7 7.3 -10.7 -83.6 47 128 A E - 0 0 60 34,-0.0 -3,-1.7 2,-0.0 2,-0.5 -0.833 56.7-156.8-109.4 138.8 6.5 -11.1 -79.9 48 129 A b E -E 43 0C 34 -2,-0.4 34,-1.4 -5,-0.2 2,-0.3 -0.951 24.0-168.6-107.4 124.5 7.7 -13.7 -77.4 49 130 A R E -EF 42 81C 14 -7,-2.6 -7,-1.8 -2,-0.5 2,-0.5 -0.812 21.0-136.2-117.4 158.2 5.2 -14.0 -74.5 50 131 A T E -EF 41 80C 11 30,-3.9 30,-1.1 -2,-0.3 2,-0.3 -0.934 25.1-162.3-107.0 129.7 5.3 -15.7 -71.1 51 132 A F E +EF 40 79C 0 -11,-2.9 -11,-1.5 -2,-0.5 2,-0.3 -0.752 12.6 172.0-109.4 161.5 2.1 -17.5 -70.3 52 133 A F E - F 0 78C 1 26,-1.5 26,-2.4 -2,-0.3 2,-1.0 -0.988 38.6-114.5-167.8 154.3 0.9 -18.7 -66.9 53 134 A L E - F 0 77C 2 -16,-1.7 24,-0.2 -2,-0.3 22,-0.1 -0.808 39.6-148.9 -98.7 97.5 -1.9 -20.1 -64.8 54 135 A T E - F 0 76C 0 22,-2.4 22,-1.0 -2,-1.0 -18,-0.2 -0.272 15.1-141.1 -63.4 146.2 -2.9 -17.4 -62.4 55 136 A Q - 0 0 20 -20,-2.3 20,-0.2 2,-0.4 -1,-0.1 0.260 49.4-110.9 -89.9 12.3 -4.3 -18.3 -59.0 56 137 A G S S+ 0 0 41 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.865 89.7 77.6 62.0 37.1 -6.7 -15.5 -59.6 57 138 A A S S- 0 0 9 -22,-0.3 -22,-3.4 7,-0.1 -2,-0.4 -0.967 76.4-108.5-162.7 168.9 -5.0 -13.4 -56.8 58 139 A L B > -D 34 0B 42 -24,-0.3 3,-0.6 -2,-0.3 -24,-0.3 -0.849 39.9 -94.9-112.1 149.0 -1.9 -11.2 -56.1 59 140 A L T 3 S+ 0 0 9 -26,-1.9 -26,-0.2 -2,-0.3 3,-0.1 -0.161 105.5 28.3 -58.5 148.8 1.1 -12.0 -53.9 60 141 A N T 3 S+ 0 0 42 1,-0.3 2,-0.3 4,-0.1 -1,-0.2 0.737 99.7 119.2 70.2 25.7 1.2 -10.8 -50.3 61 142 A D S X S- 0 0 65 -3,-0.6 3,-2.0 1,-0.1 -1,-0.3 -0.872 77.0-121.0-123.5 155.9 -2.5 -11.0 -50.1 62 143 A K G > S+ 0 0 164 -2,-0.3 3,-0.7 1,-0.3 -3,-0.1 0.638 113.0 63.5 -65.6 -15.7 -5.1 -12.9 -48.1 63 144 A H G 3 S+ 0 0 122 -5,-0.2 -1,-0.3 1,-0.2 -4,-0.1 0.333 87.8 69.5 -90.1 4.5 -6.4 -14.3 -51.3 64 145 A S G X + 0 0 2 -3,-2.0 3,-1.4 -6,-0.1 2,-0.9 0.262 69.6 124.1-102.3 10.6 -3.1 -16.0 -51.9 65 146 A N T < S+ 0 0 115 -3,-0.7 293,-0.2 1,-0.3 -3,-0.0 -0.609 81.7 8.9 -76.4 102.6 -3.8 -18.4 -49.0 66 147 A G T > S+ 0 0 36 291,-2.6 3,-2.3 -2,-0.9 -1,-0.3 0.454 73.0 145.8 108.3 4.1 -3.6 -21.9 -50.4 67 148 A T T < + 0 0 7 -3,-1.4 291,-0.1 290,-0.4 -2,-0.1 0.440 55.2 91.2 -54.9 7.5 -2.2 -21.1 -53.8 68 149 A V T 3 S+ 0 0 38 289,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.772 70.9 78.4 -74.3 -28.7 -0.4 -24.4 -53.2 69 150 A K S < S- 0 0 149 -3,-2.3 2,-0.2 2,-0.0 290,-0.1 -0.638 75.1-136.7 -88.6 142.8 -3.2 -26.4 -54.9 70 151 A D + 0 0 68 -2,-0.3 29,-0.1 5,-0.0 28,-0.1 -0.604 67.4 41.0 -90.4 154.1 -3.6 -26.6 -58.6 71 152 A R + 0 0 69 -2,-0.2 44,-0.1 27,-0.2 47,-0.0 0.738 54.7 141.5 76.9 123.1 -7.1 -26.3 -60.2 72 153 A S > - 0 0 27 3,-0.1 3,-0.7 44,-0.1 -1,-0.2 -0.908 62.4-103.7-179.0 155.4 -9.9 -24.0 -59.3 73 154 A P T 3 S+ 0 0 99 0, 0.0 -17,-0.0 0, 0.0 42,-0.0 0.575 122.8 59.1 -67.6 -3.2 -12.6 -22.0 -61.1 74 155 A F T 3 S+ 0 0 137 -19,-0.1 -18,-0.1 22,-0.1 2,-0.1 0.772 75.7 104.7 -93.2 -33.5 -10.3 -19.1 -60.4 75 156 A R < + 0 0 1 -3,-0.7 22,-1.3 -20,-0.2 2,-0.4 -0.315 51.2 178.7 -54.2 119.1 -7.2 -20.4 -62.2 76 157 A T E -FG 54 96C 26 -22,-1.0 -22,-2.4 20,-0.2 2,-0.3 -0.989 27.1-127.9-133.4 129.7 -6.9 -18.4 -65.4 77 158 A L E +FG 53 95C 0 18,-1.3 18,-2.1 -2,-0.4 17,-1.8 -0.561 38.0 166.3 -75.0 128.3 -4.3 -18.6 -68.2 78 159 A M E -FG 52 93C 17 -26,-2.4 -26,-1.5 -2,-0.3 15,-0.2 -0.983 20.9-143.3-144.5 155.0 -2.7 -15.2 -69.1 79 160 A S E +FG 51 92C 0 13,-2.1 13,-2.7 -2,-0.3 -28,-0.2 -0.606 15.9 169.4-114.1 172.1 0.2 -13.9 -71.1 80 161 A C E -F 50 0C 2 -30,-1.1 -30,-3.9 11,-0.2 11,-0.1 -0.883 45.6 -82.0-174.1 147.1 2.8 -11.0 -70.9 81 162 A P E > -F 49 0C 48 0, 0.0 3,-1.0 0, 0.0 -32,-0.2 -0.138 64.3 -83.4 -54.7 156.8 6.0 -10.1 -72.8 82 163 A I T 3 S+ 0 0 49 -34,-1.4 -61,-0.1 1,-0.2 3,-0.1 -0.181 107.4 19.3 -62.9 155.2 9.1 -11.9 -71.6 83 164 A G T 3 S+ 0 0 30 1,-0.2 2,-0.2 -63,-0.2 -1,-0.2 0.168 93.8 112.6 75.4 -16.7 11.0 -10.6 -68.6 84 165 A V S < S- 0 0 51 -3,-1.0 -1,-0.2 1,-0.1 -60,-0.1 -0.622 78.5-100.7 -91.5 148.7 8.3 -8.4 -67.1 85 166 A A - 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