==== 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 (O-GLYCOSYL) 12-DEC-94 1IVG . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N2 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (STRAIN A/TOKYO/3/19 . AUTHOR M.J.JEDRZEJAS,M.LUO . 776 2 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 64 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 4 10 12 4 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 . 0 0 8 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 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 0 161 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 164.4 16.2 10.2 -8.4 2 83 A E - 0 0 131 1,-0.1 2,-0.1 103,-0.1 152,-0.1 -0.643 360.0 -67.0-117.4 177.7 15.1 12.6 -11.2 3 84 A Y - 0 0 64 -2,-0.2 102,-0.3 102,-0.1 2,-0.2 -0.410 50.2-110.6 -69.9 141.9 17.2 14.8 -13.5 4 85 A R + 0 0 28 100,-3.0 149,-1.8 1,-0.1 150,-0.6 -0.517 35.4 173.7 -69.3 136.7 19.1 17.8 -12.1 5 86 A N - 0 0 62 147,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.482 32.1-138.6-122.0 -9.0 17.7 21.1 -13.3 6 87 A W + 0 0 13 1,-0.2 2,-1.1 196,-0.1 197,-0.5 0.864 40.9 162.0 49.5 45.7 19.7 23.6 -11.2 7 88 A S + 0 0 52 195,-0.1 -1,-0.2 329,-0.1 -2,-0.0 -0.636 33.4 89.9 -97.9 76.3 16.6 25.7 -10.5 8 89 A K S S- 0 0 67 -2,-1.1 195,-0.2 -3,-0.1 329,-0.2 -0.950 79.4 -96.2-160.7 148.7 17.6 27.9 -7.5 9 90 A P - 0 0 93 0, 0.0 328,-2.6 0, 0.0 2,-0.2 -0.125 46.9 -93.5 -65.2 171.0 19.2 31.3 -7.4 10 91 A Q B -a 337 0A 37 326,-0.2 328,-0.2 1,-0.1 2,-0.2 -0.594 45.0-107.3 -81.7 147.1 22.9 31.7 -6.9 11 92 A a - 0 0 21 326,-1.7 2,-0.6 -2,-0.2 328,-0.1 -0.507 29.7-120.6 -72.8 146.4 24.0 32.1 -3.3 12 93 A Q - 0 0 132 -2,-0.2 2,-0.2 326,-0.0 -1,-0.1 -0.809 40.1-159.5 -88.4 117.8 25.1 35.7 -2.4 13 94 A I - 0 0 23 -2,-0.6 356,-0.3 1,-0.1 3,-0.1 -0.624 35.0-167.2-107.9 164.2 28.7 35.5 -1.2 14 95 A T S S- 0 0 49 354,-3.0 2,-0.3 1,-0.4 355,-0.2 0.628 73.7 -59.7-110.3 -24.2 31.2 37.4 0.8 15 96 A G E -B 368 0A 0 353,-1.1 353,-2.5 281,-0.1 -1,-0.4 -0.930 68.9 -60.5 172.3-150.8 34.3 35.5 -0.2 16 97 A F E -B 367 0A 11 -2,-0.3 351,-0.3 351,-0.3 324,-0.1 -0.825 30.9-149.7-127.9 159.0 35.6 31.9 0.1 17 98 A A E -B 366 0A 31 349,-2.9 349,-2.5 -2,-0.3 355,-0.0 -0.965 34.5 -92.7-127.3 144.9 36.4 29.3 2.8 18 99 A P E +B 365 0A 81 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.248 47.6 162.7 -56.4 132.1 38.9 26.4 2.9 19 100 A F E - 0 0 113 345,-2.2 2,-0.3 1,-0.3 346,-0.2 0.743 50.9 -10.6-117.3 -60.3 37.4 23.1 1.8 20 101 A S E -B 364 0A 27 344,-1.7 344,-2.7 0, 0.0 -1,-0.3 -0.986 40.1-176.2-148.6 160.5 39.9 20.4 0.9 21 102 A K E -B 363 0A 53 -2,-0.3 342,-0.2 342,-0.2 358,-0.0 -0.962 8.4-165.2-154.2 130.1 43.6 19.7 0.3 22 103 A D - 0 0 9 340,-1.1 341,-0.1 -2,-0.3 -1,-0.1 0.732 16.5-151.9 -95.5 -21.1 45.1 16.4 -0.8 23 104 A N > + 0 0 60 339,-0.5 4,-1.8 1,-0.1 5,-0.2 0.754 32.1 162.2 56.3 30.1 48.8 16.9 -0.1 24 105 A S H > + 0 0 4 1,-0.2 4,-1.8 2,-0.2 337,-0.1 0.864 65.3 48.1 -45.8 -55.4 49.7 14.4 -2.9 25 106 A I H > S+ 0 0 10 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.891 107.6 51.1 -58.2 -51.0 53.4 15.5 -3.4 26 107 A R H >4 S+ 0 0 153 353,-0.2 3,-0.8 1,-0.2 -1,-0.2 0.933 114.3 48.9 -52.9 -41.6 54.5 15.5 0.3 27 108 A L H >< S+ 0 0 78 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.831 98.7 66.5 -66.1 -35.7 53.0 12.0 0.5 28 109 A S H >< S+ 0 0 2 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.754 87.9 69.5 -58.7 -25.3 54.8 10.9 -2.7 29 110 A A T << S+ 0 0 45 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.535 119.2 16.2 -71.1 -8.8 58.1 11.2 -0.9 30 111 A G T < S+ 0 0 70 -3,-2.2 -1,-0.3 1,-0.2 2,-0.2 -0.304 121.8 44.9-164.7 67.7 57.1 8.2 1.2 31 112 A G S < S- 0 0 36 -3,-0.7 2,-1.3 2,-0.1 29,-0.3 -0.770 87.6 -87.4 162.5 153.2 54.3 6.3 -0.4 32 113 A D + 0 0 63 -2,-0.2 56,-0.6 27,-0.1 2,-0.4 -0.669 59.7 160.4 -84.5 94.6 53.1 4.9 -3.8 33 114 A I B -E 87 0B 14 -2,-1.3 26,-2.4 -5,-0.2 27,-0.3 -0.933 37.5-107.9-120.8 141.4 51.2 7.9 -5.3 34 115 A W E -F 58 0C 1 52,-2.1 2,-0.6 -2,-0.4 24,-0.2 -0.089 23.9-118.7 -63.2 154.8 50.3 8.6 -9.0 35 116 A V E + 0 0 0 22,-1.6 20,-0.9 324,-0.1 22,-0.2 -0.880 47.7 173.1 -96.2 123.6 51.8 11.2 -11.2 36 117 A T E +F 54 0C 5 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.702 24.0 172.8-129.1 173.6 49.1 13.7 -12.3 37 118 A R E +F 53 0C 22 16,-0.6 16,-1.8 -2,-0.2 323,-0.1 -0.918 63.4 37.2-170.8 160.6 48.2 16.9 -14.1 38 119 A E E S+ 0 0 11 -2,-0.3 15,-0.4 14,-0.2 -1,-0.2 0.957 73.9 179.5 51.6 67.5 45.0 18.8 -15.1 39 120 A P E + 0 0 2 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.446 8.0 162.4 -91.4 170.5 42.9 17.9 -12.0 40 121 A Y E -F 51 0C 3 11,-1.9 11,-2.9 -2,-0.1 2,-0.3 -0.958 23.0-126.4-169.3 178.4 39.3 19.0 -11.3 41 122 A V E +F 50 0C 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.995 17.5 174.3-146.2 147.3 36.3 18.2 -9.2 42 123 A S E -F 49 0C 2 7,-2.0 7,-3.2 -2,-0.3 2,-0.4 -0.912 16.5-145.8-141.4 164.1 32.6 17.4 -9.4 43 124 A b E -F 48 0C 6 -2,-0.3 5,-0.3 5,-0.3 60,-0.2 -0.997 4.0-152.1-137.5 130.7 29.9 16.4 -7.0 44 125 A D - 0 0 19 3,-2.4 64,-0.0 -2,-0.4 60,-0.0 -0.339 58.3 -70.9 -84.2-176.6 26.9 14.1 -7.6 45 126 A P S S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 287,-0.0 0.771 131.5 26.3 -48.7 -29.0 23.8 14.7 -5.4 46 127 A V S S+ 0 0 117 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.798 122.6 11.2-107.8 -35.2 25.6 13.4 -2.2 47 128 A K - 0 0 75 2,-0.0 -3,-2.4 34,-0.0 -1,-0.2 -0.976 62.3-115.3-147.7 161.1 29.3 13.8 -2.4 48 129 A b E -F 43 0C 20 -2,-0.3 34,-2.0 -5,-0.3 2,-0.3 -0.642 23.7-162.5 -93.7 148.7 32.3 15.4 -4.3 49 130 A Y E -FG 42 81C 42 -7,-3.2 -7,-2.0 32,-0.3 2,-0.4 -0.975 12.0-137.1-129.6 144.0 34.9 13.4 -6.2 50 131 A Q E -FG 41 80C 2 30,-2.5 30,-2.0 -2,-0.3 2,-0.3 -0.810 23.1-173.2-102.6 140.9 38.4 14.6 -7.4 51 132 A F E +FG 40 79C 1 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.3 -0.858 11.6 162.8-126.8 169.6 39.7 13.7 -10.8 52 133 A A E - G 0 78C 0 26,-0.9 26,-2.6 -2,-0.3 2,-0.7 -0.909 43.3-104.2-178.7 155.5 43.0 14.1 -12.8 53 134 A L E -FG 37 77C 0 -16,-1.8 -16,-0.6 -15,-0.4 24,-0.2 -0.863 42.7-146.6 -92.9 111.3 44.6 12.6 -15.9 54 135 A G E -F 36 0C 0 22,-2.8 -18,-0.2 -2,-0.7 42,-0.1 -0.074 11.4-133.2 -69.3-179.8 47.3 10.2 -14.6 55 136 A Q E - 0 0 6 -20,-0.9 20,-0.2 2,-0.4 -19,-0.1 0.142 46.9-104.4-120.4 13.2 50.6 9.5 -16.3 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 1,-0.2 19,-0.1 0.654 91.6 67.3 73.3 21.1 50.6 5.7 -16.1 57 138 A T E S- 0 0 0 -22,-0.2 -22,-1.6 358,-0.1 -2,-0.4 -0.952 81.2-102.3-159.0 168.9 53.1 5.4 -13.3 58 139 A T E -F 34 0C 0 -2,-0.3 3,-0.3 357,-0.3 -24,-0.2 -0.560 37.6-117.1 -90.9 159.5 53.9 6.2 -9.6 59 140 A L S S+ 0 0 3 -26,-2.4 2,-2.1 1,-0.3 5,-0.2 0.924 113.1 55.2 -66.1 -49.4 56.1 9.2 -8.8 60 141 A D S S+ 0 0 95 -29,-0.3 2,-0.3 -27,-0.3 -1,-0.3 -0.477 92.6 106.3 -83.9 68.3 58.8 7.2 -7.2 61 142 A N S > S- 0 0 8 -2,-2.1 3,-2.4 -3,-0.3 4,-0.3 -0.995 78.6-128.6-146.3 139.0 59.1 5.2 -10.4 62 143 A K G > S+ 0 0 115 -2,-0.3 3,-1.4 356,-0.3 -1,-0.1 0.843 109.2 68.1 -60.2 -26.6 61.7 5.2 -13.1 63 144 A H G 3 S+ 0 0 16 1,-0.2 -1,-0.3 352,-0.2 -4,-0.1 0.532 81.4 74.9 -69.3 -6.5 58.8 5.6 -15.5 64 145 A S G X + 0 0 0 -3,-2.4 3,-1.2 -5,-0.2 294,-0.3 0.670 68.9 115.5 -79.4 -15.1 58.0 9.1 -14.2 65 146 A N T < S+ 0 0 79 -3,-1.4 292,-0.2 -4,-0.3 323,-0.0 -0.280 80.4 12.9 -58.5 131.3 61.0 10.6 -16.0 66 147 A D T > S+ 0 0 84 290,-2.6 3,-1.0 1,-0.1 -1,-0.2 0.728 75.0 151.6 68.5 36.9 60.1 13.1 -18.7 67 148 A T T < + 0 0 11 -3,-1.2 290,-0.1 289,-0.5 -2,-0.1 0.422 43.1 96.9 -73.9 -0.4 56.5 13.5 -17.6 68 149 A V T 3 + 0 0 33 288,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.885 59.2 103.2 -61.3 -36.8 56.3 17.2 -18.9 69 150 A H < - 0 0 110 -3,-1.0 3,-0.2 1,-0.1 0, 0.0 -0.240 63.6-152.2 -54.3 124.0 54.6 15.8 -22.1 70 151 A D S S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.723 74.6 47.8 -69.9 -24.5 50.9 16.4 -22.2 71 152 A R + 0 0 90 3,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.797 55.0 135.1-137.7 104.9 49.9 13.5 -24.4 72 153 A I > - 0 0 46 -2,-0.4 3,-1.4 -3,-0.2 43,-0.1 -0.901 60.1-108.0-130.6 160.2 50.9 9.7 -24.4 73 154 A P T 3 S+ 0 0 46 0, 0.0 -17,-0.0 0, 0.0 43,-0.0 0.426 111.0 66.6 -69.3 0.4 48.7 6.6 -24.8 74 155 A H T 3 + 0 0 16 -19,-0.1 2,-0.3 21,-0.1 -18,-0.2 0.559 69.1 107.1-101.6 -8.1 49.0 5.8 -21.1 75 156 A R < + 0 0 2 -3,-1.4 21,-1.8 -20,-0.2 2,-0.3 -0.531 43.2 169.8 -73.9 131.9 47.1 8.7 -19.5 76 157 A T E - H 0 95C 0 19,-0.3 -22,-2.8 -2,-0.3 2,-0.3 -0.927 37.4-100.4-139.0 157.3 43.8 7.6 -18.1 77 158 A L E -GH 53 94C 0 17,-1.4 16,-1.5 -2,-0.3 17,-0.7 -0.669 34.3-157.7 -85.0 134.0 41.3 9.5 -15.9 78 159 A L E -GH 52 92C 0 -26,-2.6 -26,-0.9 -2,-0.3 2,-0.4 -0.942 4.6-163.9-117.1 139.7 41.3 8.7 -12.2 79 160 A M E +GH 51 91C 30 12,-1.7 12,-0.9 -2,-0.4 2,-0.3 -0.984 16.2 156.6-128.6 131.2 38.4 9.2 -9.8 80 161 A N E -G 50 0C 25 -30,-2.0 -30,-2.5 -2,-0.4 2,-0.2 -0.940 51.3 -83.2-142.8 161.2 38.4 9.3 -5.9 81 162 A E E > -G 49 0C 91 -2,-0.3 3,-2.3 -32,-0.2 -32,-0.3 -0.497 66.0 -91.8 -66.2 132.8 36.3 10.7 -3.1 82 163 A L T 3 S+ 0 0 33 -34,-2.0 -1,-0.1 1,-0.3 -34,-0.1 -0.286 113.9 26.3 -50.2 114.9 37.5 14.3 -2.6 83 164 A G T 3 S+ 0 0 35 1,-0.4 -1,-0.3 -2,-0.1 -62,-0.1 0.309 91.2 102.0 117.1 -18.3 40.2 14.2 -0.0 84 165 A V S < S- 0 0 51 -3,-2.3 -1,-0.4 -34,-0.0 -34,-0.1 -0.928 74.6-120.1 -98.9 125.7 41.6 10.7 -0.4 85 166 A P - 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