==== 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-SEP-94 1INX . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N2 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.L.WHITE,M.N.JANAKIRAMAN,W.G.LAVER,C.PHILIPPON,A.VASELLA,G. . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 59.8 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 . 141 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 9 2.3 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 . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.4 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 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 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 2 4 5 3 1 2 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 4 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 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 0 155 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 141.7 75.8 9.4 -8.5 2 83 A E - 0 0 164 103,-0.1 2,-0.1 1,-0.1 152,-0.1 -0.691 360.0 -84.5-112.7 171.1 75.1 12.4 -10.8 3 84 A Y - 0 0 67 -2,-0.2 102,-0.3 1,-0.1 2,-0.2 -0.431 40.6-110.2 -77.7 148.8 77.3 14.6 -13.0 4 85 A R + 0 0 21 100,-2.5 149,-2.0 1,-0.1 150,-0.6 -0.517 34.5 172.1 -74.0 137.7 79.1 17.6 -11.7 5 86 A N - 0 0 58 147,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.383 30.6-143.6-125.0 -3.2 77.7 20.9 -13.0 6 87 A W + 0 0 9 1,-0.2 2,-1.5 197,-0.1 197,-0.6 0.719 42.0 154.6 44.9 33.2 79.8 23.3 -10.9 7 88 A S + 0 0 59 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.590 29.5 104.8 -92.9 77.1 76.9 25.7 -10.6 8 89 A K S S- 0 0 70 -2,-1.5 195,-0.2 -3,-0.1 328,-0.2 -0.965 77.8 -95.1-147.0 146.7 77.7 27.5 -7.3 9 90 A P - 0 0 93 0, 0.0 328,-2.7 0, 0.0 2,-0.3 -0.197 46.1 -98.4 -62.9 156.6 79.1 30.9 -6.9 10 91 A Q B -a 337 0A 40 326,-0.2 328,-0.2 1,-0.1 3,-0.0 -0.622 45.2-109.5 -74.0 136.7 82.9 31.4 -6.6 11 92 A a - 0 0 20 326,-2.0 2,-0.4 -2,-0.3 -1,-0.1 -0.352 28.7-113.8 -64.8 150.6 83.9 31.7 -3.0 12 93 A Q - 0 0 124 355,-0.0 2,-0.4 -3,-0.0 -1,-0.1 -0.720 40.4-157.9 -83.3 133.3 85.1 35.1 -1.9 13 94 A I - 0 0 13 -2,-0.4 356,-0.3 1,-0.1 3,-0.1 -0.940 31.1-168.0-122.8 150.9 88.8 34.8 -1.0 14 95 A T S S- 0 0 49 354,-3.7 2,-0.3 1,-0.4 355,-0.2 0.546 73.5 -66.7 -99.0 -20.6 91.2 36.9 1.1 15 96 A G E S-B 368 0A 0 353,-1.1 353,-2.6 356,-0.1 -1,-0.4 -0.951 70.8 -56.7 157.7-154.3 94.2 35.1 -0.2 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.3 351,-0.3 324,-0.1 -0.853 35.7-151.4-125.4 151.5 95.5 31.5 0.1 17 98 A A E -B 366 0A 29 349,-3.0 349,-2.2 -2,-0.3 355,-0.1 -0.896 36.8 -87.8-119.3 149.2 96.3 29.2 3.0 18 99 A P E +B 365 0A 80 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.261 50.5 161.7 -54.3 134.5 98.9 26.3 3.1 19 100 A F E - 0 0 110 345,-2.4 2,-0.3 1,-0.4 346,-0.2 0.739 51.0 -12.5-125.0 -49.2 97.3 23.0 2.0 20 101 A S E -B 364 0A 26 344,-1.8 344,-3.1 63,-0.0 -1,-0.4 -0.978 42.3-179.3-157.7 161.2 99.8 20.2 1.1 21 102 A K E -B 363 0A 54 -2,-0.3 342,-0.2 342,-0.3 358,-0.0 -0.923 11.3-161.2-161.7 137.8 103.5 19.5 0.3 22 103 A D - 0 0 9 340,-1.4 341,-0.1 -2,-0.3 5,-0.1 0.651 14.8-151.2-106.7 -12.1 105.1 16.2 -0.6 23 104 A N > + 0 0 56 339,-0.5 4,-2.1 1,-0.1 5,-0.2 0.734 35.8 157.0 50.5 32.9 108.9 16.7 0.1 24 105 A S H > + 0 0 3 1,-0.2 4,-1.7 2,-0.2 337,-0.1 0.826 65.6 49.7 -59.1 -40.3 109.8 14.2 -2.6 25 106 A I H >> S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.973 110.8 49.2 -65.6 -50.0 113.3 15.4 -3.3 26 107 A R H >4 S+ 0 0 146 353,-0.3 3,-0.7 1,-0.3 -1,-0.2 0.872 115.1 46.3 -51.2 -43.3 114.3 15.5 0.4 27 108 A L H >< S+ 0 0 78 -4,-2.1 3,-2.0 1,-0.2 -1,-0.3 0.759 98.3 72.3 -69.9 -29.5 112.9 11.9 0.6 28 109 A S H << S+ 0 0 1 -4,-1.7 3,-0.5 -3,-0.5 -1,-0.2 0.624 88.0 63.1 -61.6 -18.1 114.7 10.8 -2.7 29 110 A A T << S+ 0 0 43 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.1 0.419 118.0 25.2 -88.0 -0.3 118.0 10.9 -0.8 30 111 A G S < S+ 0 0 73 -3,-2.0 2,-0.2 1,-0.1 -1,-0.2 -0.193 123.1 30.0-157.7 57.0 116.8 8.1 1.4 31 112 A G S S- 0 0 35 -3,-0.5 2,-1.0 2,-0.1 29,-0.3 -0.883 88.2 -81.5 164.6 166.8 114.1 6.1 -0.3 32 113 A D + 0 0 89 -2,-0.2 56,-0.6 27,-0.1 2,-0.4 -0.774 57.0 161.8 -99.0 94.4 112.9 5.0 -3.8 33 114 A I B -E 87 0B 12 -2,-1.0 26,-2.2 -5,-0.2 27,-0.2 -0.903 38.6-108.0-115.4 141.3 111.0 7.9 -5.2 34 115 A W E -F 58 0C 22 52,-3.0 2,-0.5 -2,-0.4 24,-0.3 -0.272 23.9-122.8 -63.7 151.9 110.1 8.5 -8.9 35 116 A V E + 0 0 0 22,-2.3 20,-1.4 324,-0.1 22,-0.3 -0.830 49.8 159.4 -95.3 128.6 111.7 11.2 -11.0 36 117 A T E -F 54 0C 3 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.773 26.7-179.1-140.3-174.5 109.0 13.4 -12.3 37 118 A R E +F 53 0C 32 16,-0.8 16,-2.2 -2,-0.2 323,-0.1 -0.903 62.4 47.3-178.1 165.9 108.0 16.8 -13.8 38 119 A E E S+ 0 0 9 -2,-0.3 61,-0.1 14,-0.2 -1,-0.1 0.907 72.3 174.9 53.5 55.2 104.8 18.6 -14.9 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.214 8.4 168.7 -83.8 172.0 102.7 17.7 -11.9 40 121 A Y E -F 51 0C 2 11,-1.6 11,-3.1 107,-0.1 2,-0.3 -0.955 24.0-127.3-168.3 169.2 99.2 18.9 -11.1 41 122 A V E +F 50 0C 0 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.962 23.6 169.4-131.4 150.7 96.4 18.1 -8.7 42 123 A S E -F 49 0C 0 7,-1.9 7,-2.9 -2,-0.3 2,-0.4 -0.964 17.0-145.0-155.0 148.7 92.7 17.4 -9.3 43 124 A b E -F 48 0C 6 287,-0.3 60,-0.3 -2,-0.3 5,-0.3 -0.945 4.7-149.1-125.4 144.4 89.9 16.1 -7.1 44 125 A D - 0 0 17 3,-2.2 64,-0.0 -2,-0.4 62,-0.0 -0.328 57.0 -79.4 -88.7-177.1 86.9 13.9 -7.5 45 126 A P S S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.669 128.8 34.9 -62.3 -13.4 83.8 14.7 -5.3 46 127 A V S S- 0 0 116 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.791 122.2 -1.1-110.0 -33.6 85.4 13.1 -2.2 47 128 A K - 0 0 75 -5,-0.0 -3,-2.2 34,-0.0 -1,-0.3 -0.957 62.9-108.7-152.8 170.1 89.2 13.6 -2.2 48 129 A b E -F 43 0C 24 -2,-0.3 34,-2.8 -5,-0.3 2,-0.3 -0.737 23.7-161.6-106.8 151.8 92.2 15.1 -4.1 49 130 A Y E -FG 42 81C 41 -7,-2.9 -7,-1.9 32,-0.3 2,-0.4 -0.927 13.5-135.2-130.1 151.0 95.0 13.4 -6.0 50 131 A Q E -FG 41 80C 1 30,-2.8 30,-2.2 -2,-0.3 2,-0.3 -0.887 24.2-170.7-107.7 135.1 98.4 14.5 -7.1 51 132 A F E +FG 40 79C 1 -11,-3.1 -11,-1.6 -2,-0.4 2,-0.3 -0.804 10.5 162.5-117.5 166.0 99.5 13.6 -10.7 52 133 A A E - G 0 78C 0 26,-1.2 26,-3.5 -2,-0.3 2,-0.7 -0.928 41.5-107.2-176.1 156.3 102.8 13.9 -12.5 53 134 A L E -FG 37 77C 0 -16,-2.2 -16,-0.8 -2,-0.3 24,-0.2 -0.868 40.4-151.0 -94.6 112.4 104.6 12.6 -15.6 54 135 A G E -F 36 0C 0 22,-2.8 -18,-0.2 -2,-0.7 22,-0.2 -0.213 14.6-134.7 -76.2 174.6 107.2 10.1 -14.4 55 136 A Q E - 0 0 11 -20,-1.4 20,-0.2 2,-0.5 -19,-0.1 0.007 48.8-103.2-117.8 27.0 110.5 9.4 -16.2 56 137 A G E S+ 0 0 37 18,-0.2 2,-0.3 -21,-0.2 19,-0.1 0.829 95.5 73.6 56.1 35.8 110.3 5.6 -16.0 57 138 A T E S- 0 0 8 -22,-0.3 -22,-2.3 7,-0.1 -2,-0.5 -0.978 76.5-117.5-168.6 156.7 112.9 5.6 -13.2 58 139 A T E -F 34 0C 16 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.502 37.8-111.9 -91.0 170.7 113.5 6.4 -9.5 59 140 A L S S+ 0 0 1 -26,-2.2 2,-2.3 1,-0.2 5,-0.2 0.921 111.3 57.3 -74.6 -47.9 116.0 9.0 -8.5 60 141 A D S S+ 0 0 105 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.557 92.2 101.4 -84.3 73.5 118.7 6.9 -6.9 61 142 A N S > S- 0 0 56 -2,-2.3 3,-2.7 -3,-0.2 4,-0.2 -0.947 80.5-127.2-155.6 132.4 118.9 4.9 -10.2 62 143 A K G > S+ 0 0 193 1,-0.3 3,-1.5 -2,-0.3 -1,-0.0 0.797 108.7 70.2 -56.4 -23.8 121.6 5.2 -13.0 63 144 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.536 79.5 75.2 -70.6 -7.9 118.6 5.7 -15.3 64 145 A S G X S+ 0 0 0 -3,-2.7 3,-1.4 -5,-0.2 294,-0.4 0.643 70.6 116.8 -78.5 -12.4 117.9 9.1 -13.8 65 146 A N T < S+ 0 0 85 -3,-1.5 292,-0.2 1,-0.3 293,-0.0 -0.248 83.7 3.5 -58.4 133.4 120.9 10.4 -15.8 66 147 A D T > S+ 0 0 80 290,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.762 76.2 152.4 61.8 32.1 120.0 13.1 -18.3 67 148 A T T < + 0 0 12 -3,-1.4 -1,-0.2 289,-0.4 290,-0.1 0.097 42.5 102.5 -80.2 26.5 116.4 13.1 -17.4 68 149 A V T 3 + 0 0 33 288,-0.2 -1,-0.3 289,-0.0 2,-0.1 0.777 57.2 101.3 -75.5 -29.4 116.3 16.8 -18.6 69 150 A H < - 0 0 101 -3,-1.2 3,-0.1 1,-0.1 289,-0.1 -0.344 62.6-154.4 -62.1 136.5 114.6 15.5 -21.8 70 151 A D S S+ 0 0 75 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.706 73.2 47.1 -83.8 -29.7 110.8 16.0 -22.0 71 152 A R + 0 0 91 3,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.868 59.2 139.5-129.4 103.9 109.7 13.3 -24.3 72 153 A I > - 0 0 49 -2,-0.5 3,-1.9 -3,-0.1 -16,-0.0 -0.952 58.5-113.4-131.9 150.9 110.8 9.6 -24.0 73 154 A P T 3 S+ 0 0 96 0, 0.0 -17,-0.1 0, 0.0 23,-0.0 0.643 110.7 66.4 -62.0 -10.1 108.6 6.5 -24.5 74 155 A H T 3 S+ 0 0 121 -19,-0.1 2,-0.3 21,-0.1 -18,-0.2 0.460 70.8 111.5 -91.8 0.5 109.0 5.6 -20.8 75 156 A R < + 0 0 2 -3,-1.9 21,-1.0 -20,-0.2 2,-0.3 -0.562 43.7 175.1 -75.0 134.0 107.1 8.6 -19.4 76 157 A T E - H 0 95C 17 19,-0.3 -22,-2.8 -2,-0.3 2,-0.6 -0.938 36.2-103.9-136.0 156.3 103.8 7.5 -17.8 77 158 A L E -GH 53 94C 0 17,-2.4 16,-2.9 -2,-0.3 17,-0.5 -0.758 36.2-154.8 -85.7 122.4 101.2 9.5 -15.8 78 159 A L E -GH 52 92C 0 -26,-3.5 -26,-1.2 -2,-0.6 2,-0.4 -0.736 10.3-171.8 -95.8 147.4 101.4 8.9 -12.1 79 160 A M E +GH 51 91C 18 12,-1.4 12,-0.8 -2,-0.3 2,-0.3 -0.966 13.3 155.4-145.7 120.7 98.5 9.3 -9.7 80 161 A N E -G 50 0C 25 -30,-2.2 -30,-2.8 -2,-0.4 3,-0.1 -0.915 52.0 -85.4-136.5 161.2 98.4 9.2 -5.9 81 162 A E E > -G 49 0C 94 -2,-0.3 3,-2.1 -32,-0.3 -32,-0.3 -0.430 66.7 -85.1 -64.9 145.3 96.2 10.6 -3.2 82 163 A L T 3 S+ 0 0 30 -34,-2.8 -1,-0.1 1,-0.2 -34,-0.1 -0.351 116.6 25.9 -55.9 125.0 97.3 14.1 -2.5 83 164 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.2 -3,-0.1 -34,-0.1 0.127 90.8 105.2 110.0 -25.1 100.0 14.0 0.1 84 165 A V S < S- 0 0 49 -3,-2.1 -1,-0.3 -34,-0.0 -34,-0.1 -0.849 70.2-129.2 -94.8 117.9 101.5 10.6 -0.6 85 166 A P - 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