==== 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 1INW . 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) . 14656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 59.5 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 . 138 35.6 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 . 8 2.1 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 . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 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 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 . 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 2 1 4 6 3 0 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 0 143 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 126.8 75.8 9.5 -8.7 2 83 A E - 0 0 170 103,-0.1 2,-0.2 1,-0.1 152,-0.1 -0.669 360.0 -98.4-102.3 160.2 75.0 12.7 -10.7 3 84 A Y - 0 0 73 -2,-0.2 102,-0.3 1,-0.1 2,-0.1 -0.545 40.6-105.1 -77.9 147.9 77.3 14.6 -13.0 4 85 A R + 0 0 19 100,-2.4 149,-2.3 -2,-0.2 150,-0.6 -0.452 37.9 173.3 -69.5 133.5 79.1 17.7 -11.7 5 86 A N - 0 0 66 147,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.401 29.5-145.4-118.4 -6.2 77.5 20.8 -13.1 6 87 A W + 0 0 9 1,-0.2 2,-1.3 197,-0.1 197,-0.6 0.741 40.2 154.9 46.8 36.1 79.6 23.2 -11.0 7 88 A S + 0 0 55 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.571 28.7 106.6 -95.1 73.0 76.8 25.7 -10.6 8 89 A K S S- 0 0 63 -2,-1.3 329,-0.2 -3,-0.1 195,-0.2 -0.980 75.7 -93.4-141.6 150.4 77.7 27.5 -7.3 9 90 A P - 0 0 93 0, 0.0 328,-3.1 0, 0.0 2,-0.5 -0.048 46.2 -99.8 -58.7 161.7 79.2 31.0 -6.8 10 91 A Q B -a 337 0A 42 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.784 45.6-109.9 -86.4 125.1 82.9 31.4 -6.6 11 92 A a - 0 0 21 326,-1.6 2,-0.4 -2,-0.5 328,-0.1 -0.279 31.3-110.4 -52.3 142.9 83.8 31.6 -2.9 12 93 A Q - 0 0 125 326,-0.1 2,-0.4 355,-0.0 -1,-0.1 -0.619 42.4-157.4 -75.5 128.4 85.0 35.1 -1.9 13 94 A I - 0 0 13 -2,-0.4 356,-0.3 1,-0.1 3,-0.1 -0.901 29.8-173.3-117.8 151.4 88.7 34.7 -1.2 14 95 A T S S- 0 0 53 354,-3.7 2,-0.3 1,-0.5 355,-0.2 0.450 72.0 -59.6-108.4 -18.1 91.1 36.8 0.9 15 96 A G E -B 368 0A 0 353,-1.0 353,-2.8 356,-0.1 -1,-0.5 -0.936 69.5 -64.3 158.1-167.2 94.2 34.9 -0.1 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.3 351,-0.3 324,-0.1 -0.858 34.2-153.1-117.8 148.8 95.5 31.4 0.0 17 98 A A E -B 366 0A 29 349,-2.8 349,-2.3 -2,-0.3 355,-0.1 -0.837 37.8 -88.0-114.1 149.4 96.3 29.2 3.0 18 99 A P E +B 365 0A 75 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.283 49.4 164.4 -56.9 145.2 98.8 26.3 3.1 19 100 A F E - 0 0 107 345,-2.0 2,-0.3 1,-0.4 346,-0.2 0.664 51.7 -12.4-134.4 -38.7 97.3 22.9 2.0 20 101 A S E -B 364 0A 27 344,-1.5 344,-2.6 63,-0.0 -1,-0.4 -0.980 40.7-177.7-163.9 163.4 99.8 20.2 1.1 21 102 A K E -B 363 0A 50 -2,-0.3 342,-0.2 342,-0.3 358,-0.0 -0.904 12.2-159.2-163.0 139.4 103.5 19.6 0.3 22 103 A D - 0 0 8 340,-1.3 341,-0.1 -2,-0.3 357,-0.0 0.496 18.4-145.7-108.4 -7.1 105.0 16.1 -0.6 23 104 A N > + 0 0 59 339,-0.5 4,-2.1 1,-0.1 3,-0.4 0.711 37.4 161.8 47.2 31.7 108.7 16.7 0.2 24 105 A S H > + 0 0 1 1,-0.2 4,-1.9 2,-0.2 337,-0.1 0.831 64.7 44.6 -45.1 -55.8 109.5 14.4 -2.7 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.841 110.3 53.8 -65.9 -38.3 113.2 15.4 -3.3 26 107 A R H >4 S+ 0 0 142 -3,-0.4 3,-1.4 353,-0.3 -1,-0.2 0.957 111.0 47.0 -60.8 -50.1 114.2 15.3 0.4 27 108 A L H >< S+ 0 0 77 -4,-2.1 3,-2.7 1,-0.3 -2,-0.2 0.884 100.0 69.9 -57.2 -40.1 112.8 11.7 0.7 28 109 A S G >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.584 87.4 64.8 -54.5 -17.0 114.6 10.7 -2.6 29 110 A A G < S+ 0 0 42 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.455 120.3 21.3 -86.5 -5.8 118.0 10.9 -0.8 30 111 A G G < S+ 0 0 75 -3,-2.7 2,-0.3 -4,-0.1 -1,-0.2 -0.179 124.9 39.0-153.4 52.0 116.9 8.1 1.4 31 112 A G S < S- 0 0 31 -3,-0.5 2,-0.9 2,-0.1 29,-0.3 -0.952 86.5 -87.3 174.4 165.9 114.2 6.2 -0.5 32 113 A D + 0 0 93 -2,-0.3 56,-0.6 27,-0.1 2,-0.4 -0.850 55.4 165.4 -98.0 98.9 112.9 5.0 -3.8 33 114 A I B -E 87 0B 10 -2,-0.9 26,-1.9 -5,-0.2 54,-0.2 -0.939 37.9-107.9-119.6 139.2 111.0 7.9 -5.3 34 115 A W E -F 58 0C 20 52,-3.0 2,-0.5 -2,-0.4 24,-0.3 -0.244 25.9-125.0 -60.3 145.7 109.9 8.4 -8.9 35 116 A V E + 0 0 0 22,-2.6 20,-1.8 324,-0.1 22,-0.3 -0.854 49.1 159.0 -91.2 131.8 111.6 11.1 -11.0 36 117 A T E -F 54 0C 3 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.813 25.9-179.1-144.9 179.6 108.9 13.3 -12.3 37 118 A R E +F 53 0C 30 16,-1.3 16,-2.0 -2,-0.2 323,-0.1 -0.922 63.5 44.9-172.0 167.9 108.0 16.8 -13.8 38 119 A E E S+ 0 0 10 -2,-0.3 -1,-0.1 14,-0.2 2,-0.1 0.925 74.6 175.2 50.8 59.2 104.9 18.7 -14.9 39 120 A P E + 0 0 2 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.275 6.8 167.0 -86.6 179.5 102.8 17.6 -11.9 40 121 A Y E -F 51 0C 1 11,-2.1 11,-2.1 107,-0.1 2,-0.3 -0.960 24.3-123.2-173.4 176.3 99.3 18.8 -11.0 41 122 A V E +F 50 0C 0 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.994 22.7 167.8-142.7 148.4 96.3 18.1 -8.8 42 123 A S E -F 49 0C 0 7,-1.5 7,-2.8 -2,-0.3 2,-0.4 -0.956 17.9-147.0-152.3 149.0 92.6 17.3 -9.4 43 124 A b E -F 48 0C 5 287,-0.4 60,-0.3 -2,-0.3 5,-0.2 -0.965 5.6-147.7-128.4 142.1 89.9 16.1 -7.1 44 125 A D - 0 0 18 3,-1.8 62,-0.0 -2,-0.4 64,-0.0 -0.279 58.6 -78.1 -85.1-174.3 86.8 13.9 -7.6 45 126 A P S S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.293 127.6 35.2 -78.4 26.0 83.9 14.9 -5.4 46 127 A V S S+ 0 0 115 1,-0.5 2,-0.3 0, 0.0 -3,-0.0 0.596 120.5 6.7-138.5 -42.6 85.4 13.2 -2.3 47 128 A K - 0 0 78 -5,-0.0 -3,-1.8 34,-0.0 -1,-0.5 -0.969 64.4-115.8-146.3 161.7 89.2 13.5 -2.2 48 129 A b E -F 43 0C 21 -2,-0.3 34,-3.1 -5,-0.2 2,-0.3 -0.853 24.9-164.0-100.8 139.5 92.2 15.2 -4.1 49 130 A Y E -FG 42 81C 41 -7,-2.8 -7,-1.5 -2,-0.4 2,-0.5 -0.753 13.7-134.4-116.1 161.0 94.9 13.3 -6.0 50 131 A Q E -FG 41 80C 1 30,-2.6 30,-1.9 -2,-0.3 -9,-0.2 -0.971 22.2-169.2-119.7 123.8 98.3 14.5 -7.2 51 132 A F E +FG 40 79C 1 -11,-2.1 -11,-2.1 -2,-0.5 2,-0.3 -0.665 10.3 165.3-106.1 167.5 99.4 13.6 -10.7 52 133 A A E - G 0 78C 0 26,-1.2 26,-3.0 -13,-0.3 2,-0.6 -0.945 38.8-112.4-171.0 159.8 102.8 13.9 -12.4 53 134 A L E -FG 37 77C 0 -16,-2.0 -16,-1.3 -2,-0.3 24,-0.2 -0.941 39.7-153.6-103.6 118.3 104.6 12.7 -15.5 54 135 A G E -F 36 0C 0 22,-2.3 -18,-0.3 -2,-0.6 22,-0.1 -0.261 19.0-130.0 -87.2 179.1 107.4 10.4 -14.5 55 136 A Q E - 0 0 9 -20,-1.8 20,-0.2 2,-0.5 -19,-0.1 -0.091 50.5-104.0-118.8 30.3 110.6 9.6 -16.2 56 137 A G E S+ 0 0 39 18,-0.3 2,-0.3 -21,-0.2 19,-0.1 0.843 94.7 74.6 51.6 37.5 110.3 5.8 -16.0 57 138 A T E S- 0 0 9 -22,-0.3 -22,-2.6 7,-0.1 -2,-0.5 -0.975 75.7-117.6-167.8 159.2 112.9 5.7 -13.2 58 139 A T E -F 34 0C 16 -2,-0.3 -24,-0.2 -24,-0.3 3,-0.1 -0.585 37.4-111.7 -93.5 171.0 113.5 6.4 -9.5 59 140 A L S S+ 0 0 1 -26,-1.9 2,-2.0 1,-0.2 5,-0.2 0.923 110.5 56.9 -74.7 -48.5 116.1 9.0 -8.5 60 141 A D S S+ 0 0 98 -29,-0.3 2,-0.2 -27,-0.2 -1,-0.2 -0.667 92.0 99.0 -83.6 84.5 118.8 6.8 -6.9 61 142 A N S > S- 0 0 58 -2,-2.0 3,-2.8 -3,-0.1 4,-0.3 -0.811 81.7-125.7-169.8 126.9 119.0 4.8 -10.2 62 143 A K G > S+ 0 0 195 1,-0.3 3,-1.2 -2,-0.2 -3,-0.0 0.776 108.0 71.0 -53.3 -24.4 121.6 5.2 -13.0 63 144 A H G 3 S+ 0 0 148 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.530 80.7 72.9 -69.1 -8.8 118.6 5.6 -15.3 64 145 A S G X S+ 0 0 0 -3,-2.8 3,-1.4 -5,-0.2 294,-0.3 0.775 70.3 111.4 -75.5 -28.8 117.9 9.1 -13.8 65 146 A N T < S+ 0 0 81 -3,-1.2 292,-0.2 -4,-0.3 323,-0.0 -0.195 85.6 10.6 -47.2 126.9 120.9 10.6 -15.6 66 147 A D T > S+ 0 0 83 290,-2.9 3,-1.2 1,-0.1 -1,-0.3 0.763 75.6 147.8 72.1 28.9 119.9 13.0 -18.3 67 148 A T T < + 0 0 9 -3,-1.4 290,-0.1 289,-0.4 -1,-0.1 0.222 42.6 101.9 -79.4 18.0 116.2 13.1 -17.3 68 149 A V T 3 + 0 0 36 288,-0.3 -1,-0.3 289,-0.0 2,-0.2 0.729 57.7 102.5 -69.3 -23.3 116.2 16.7 -18.5 69 150 A H < - 0 0 99 -3,-1.2 3,-0.2 1,-0.1 289,-0.1 -0.454 62.2-154.3 -69.8 133.7 114.5 15.4 -21.7 70 151 A D S S+ 0 0 76 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.682 73.9 44.9 -79.8 -24.3 110.8 16.0 -22.0 71 152 A R + 0 0 96 -16,-0.0 -1,-0.2 3,-0.0 46,-0.1 -0.830 58.3 137.3-136.4 105.4 109.7 13.2 -24.2 72 153 A I > - 0 0 50 -2,-0.4 3,-1.7 -3,-0.2 -16,-0.1 -0.944 60.0-110.1-133.5 155.5 110.8 9.6 -24.1 73 154 A P T 3 S+ 0 0 93 0, 0.0 23,-0.1 0, 0.0 -17,-0.1 0.693 110.7 66.5 -63.9 -10.9 108.6 6.4 -24.5 74 155 A H T 3 + 0 0 118 -19,-0.1 2,-0.3 21,-0.1 -18,-0.3 0.439 69.8 108.0 -89.3 -3.6 109.0 5.6 -20.8 75 156 A R < + 0 0 2 -3,-1.7 21,-1.7 -20,-0.2 2,-0.3 -0.625 44.7 175.7 -78.3 136.6 107.1 8.6 -19.3 76 157 A T E - H 0 95C 17 -2,-0.3 -22,-2.3 19,-0.3 2,-0.7 -0.900 37.4-101.8-135.6 158.0 103.7 7.5 -17.8 77 158 A L E -G 53 0C 0 17,-1.6 16,-3.3 -2,-0.3 17,-0.4 -0.783 38.0-154.7 -87.6 116.6 101.1 9.5 -15.9 78 159 A L E -GH 52 92C 0 -26,-3.0 -26,-1.2 -2,-0.7 2,-0.3 -0.660 9.5-168.7 -89.5 150.1 101.4 8.8 -12.1 79 160 A M E +GH 51 91C 20 12,-1.4 12,-0.8 -2,-0.3 2,-0.3 -0.953 15.2 152.7-145.1 119.6 98.5 9.2 -9.8 80 161 A N E -G 50 0C 25 -30,-1.9 -30,-2.6 -2,-0.3 2,-0.1 -0.865 52.1 -83.5-134.7 170.9 98.3 9.1 -5.9 81 162 A E E > -G 49 0C 88 -2,-0.3 3,-2.0 -32,-0.3 -32,-0.3 -0.505 67.0 -84.9 -72.7 148.2 96.2 10.6 -3.2 82 163 A L T 3 S+ 0 0 29 -34,-3.1 -1,-0.1 1,-0.3 -34,-0.1 -0.337 116.9 24.2 -58.4 121.6 97.3 14.2 -2.5 83 164 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.1 -34,-0.1 0.019 90.0 107.1 114.1 -29.6 100.1 14.0 0.0 84 165 A V S < S- 0 0 48 -3,-2.0 -1,-0.3 1,-0.0 -34,-0.1 -0.758 70.6-126.7 -88.6 119.3 101.4 10.5 -0.6 85 166 A P - 0 0 33 0, 0.0 2,-1.7 0, 0.0 -4,-0.1 -0.165 30.9 -90.6 -58.3 157.3 104.8 10.8 -2.4 86 167 A F + 0 0 4 -52,-0.1 -52,-3.0 -6,-0.1 2,-0.2 -0.547 66.6 156.2 -77.4 85.3 105.5 8.9 -5.7 87 168 A H B > -E 33 0B 73 -2,-1.7 3,-1.9 -54,-0.2 -54,-0.2 -0.498 60.5 -78.5 -97.0 179.4 107.0 5.7 -4.3 88 169 A L T 3 S+ 0 0 114 -56,-0.6 -55,-0.1 1,-0.3 -2,-0.1 0.596 124.2 62.1 -60.1 -15.6 107.1 2.3 -6.0 89 170 A G T 3 S+ 0 0 59 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.274 76.3 120.9 -95.1 10.5 103.5 1.4 -5.3 90 171 A T < - 0 0 10 -3,-1.9 2,-0.4 1,-0.1 -10,-0.1 -0.532 66.2-118.7 -74.8 140.2 102.2 4.4 -7.3 91 172 A R E -H 79 0C 145 -12,-0.8 -12,-1.4 -2,-0.2 2,-0.7 -0.680 12.4-145.0 -81.6 129.0 99.9 3.5 -10.2 92 173 A Q E -H 78 0C 92 -2,-0.4 -14,-0.2 -14,-0.2 3,-0.1 -0.839 16.6-167.4 -89.9 113.4 101.0 4.5 -13.7 93 174 A V E - 0 0 17 -16,-3.3 2,-0.3 -2,-0.7 -1,-0.1 0.756 56.0 -25.4 -78.4 -28.4 97.7 5.4 -15.4 94 175 A c E S- 0 0 16 -17,-0.4 -17,-1.6 2,-0.1 2,-0.5 -0.960 71.9 -82.8-169.7 173.1 98.7 5.6 -19.0 95 176 A I E +H 76 0C 98 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.847 65.9 144.3 -90.7 126.9 101.6 6.2 -21.3 96 177 A A - 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