==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 07-JUL-95 1INH . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N2 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . 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) . 26923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 256 33.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 80 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 4.9 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 6 8 6 8 6 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 6 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 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 0 129 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 118.9 15.9 9.5 -8.7 2 83 A E - 0 0 175 103,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.532 360.0 -94.6 -98.0 169.3 14.7 12.6 -10.5 3 84 A Y - 0 0 96 -2,-0.2 102,-0.3 102,-0.2 2,-0.2 -0.537 34.9-114.1 -86.9 150.5 16.7 14.6 -13.0 4 85 A R + 0 0 44 100,-2.4 149,-0.9 -2,-0.2 150,-0.7 -0.517 44.5 152.3 -76.9 155.7 18.8 17.6 -12.2 5 86 A N - 0 0 52 147,-0.3 -1,-0.1 -2,-0.2 147,-0.1 0.325 42.4-137.0-157.7 -20.7 17.7 21.0 -13.6 6 87 A W + 0 0 9 1,-0.2 2,-0.9 145,-0.1 197,-0.5 0.796 35.3 164.9 57.0 46.4 19.0 23.6 -11.1 7 88 A S + 0 0 77 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.144 39.8 109.4 -86.6 46.8 16.0 26.0 -10.8 8 89 A K S S- 0 0 61 -2,-0.9 329,-0.3 3,-0.0 195,-0.2 -0.956 75.9-102.7-122.0 141.9 17.3 27.7 -7.6 9 90 A P - 0 0 97 0, 0.0 328,-1.1 0, 0.0 326,-0.1 -0.259 45.2-102.7 -60.9 139.9 18.7 31.3 -7.2 10 91 A Q B -a 337 0A 41 326,-0.2 2,-0.3 1,-0.1 328,-0.2 -0.375 44.5-102.0 -63.6 141.0 22.5 31.4 -6.9 11 92 A a - 0 0 21 326,-1.8 2,-0.9 1,-0.1 328,-0.1 -0.529 28.5-119.5 -70.2 132.7 23.6 31.9 -3.3 12 93 A Q - 0 0 125 -2,-0.3 -1,-0.1 326,-0.1 2,-0.1 -0.553 42.1-164.6 -74.3 101.9 24.7 35.4 -2.5 13 94 A I - 0 0 16 -2,-0.9 356,-0.3 1,-0.1 3,-0.1 -0.369 27.2-165.1 -86.4 172.4 28.3 34.8 -1.5 14 95 A T - 0 0 56 354,-2.9 2,-0.3 1,-0.7 355,-0.2 0.170 68.7 -50.9-138.6 4.5 30.7 37.0 0.5 15 96 A G E S-B 368 0A 0 353,-0.5 353,-2.9 356,-0.1 -1,-0.7 -0.832 74.5 -59.4 144.1-171.9 34.0 35.3 -0.3 16 97 A F E -B 367 0A 2 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.889 36.2-155.8-116.9 126.5 35.4 31.8 -0.1 17 98 A A E -B 366 0A 30 349,-3.1 349,-2.5 -2,-0.5 2,-0.2 -0.557 37.9 -91.3 -91.1 153.6 35.7 29.5 2.9 18 99 A P E +B 365 0A 83 0, 0.0 347,-0.2 0, 0.0 -1,-0.1 -0.529 52.0 161.3 -65.0 134.3 38.2 26.6 3.2 19 100 A F E - 0 0 107 345,-2.0 2,-0.3 1,-0.3 346,-0.2 0.724 50.1 -17.6-126.5 -34.7 36.7 23.3 1.9 20 101 A S E +B 364 0A 27 344,-2.2 344,-1.9 63,-0.0 -1,-0.3 -0.969 39.0 179.1-171.9 162.5 39.3 20.6 1.1 21 102 A K E -B 363 0A 56 -2,-0.3 342,-0.2 342,-0.2 340,-0.0 -0.933 11.3-161.2-164.4 151.9 42.9 19.8 0.2 22 103 A D - 0 0 6 340,-1.1 341,-0.1 -2,-0.3 -1,-0.0 0.284 20.5-141.7-129.1 5.4 44.5 16.4 -0.5 23 104 A N > + 0 0 52 339,-0.4 4,-1.9 1,-0.1 3,-0.4 0.591 36.1 163.4 39.1 33.4 48.3 16.7 -0.1 24 105 A S H > + 0 0 6 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.765 68.4 46.8 -47.0 -41.2 49.1 14.4 -3.0 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.896 110.5 49.9 -74.0 -40.4 52.8 15.5 -3.5 26 107 A R H >4 S+ 0 0 142 -3,-0.4 3,-1.9 1,-0.2 -2,-0.2 0.967 113.7 45.8 -59.9 -53.7 53.8 15.3 0.2 27 108 A L H >< S+ 0 0 81 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.674 101.0 70.2 -61.2 -22.4 52.3 11.8 0.6 28 109 A S T 3< S+ 0 0 1 -4,-0.7 3,-0.4 -5,-0.3 -1,-0.3 0.550 89.3 63.0 -72.5 -12.5 54.0 10.9 -2.7 29 110 A A T < S+ 0 0 49 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.492 117.1 26.7 -89.8 -8.1 57.3 11.0 -1.0 30 111 A G S < S+ 0 0 66 -3,-1.2 -1,-0.3 1,-0.2 2,-0.2 -0.552 121.4 29.0-151.4 73.8 56.3 8.2 1.3 31 112 A G S S- 0 0 37 -3,-0.4 2,-1.4 -2,-0.1 29,-0.3 -0.543 88.4 -77.2 147.1 152.8 53.8 6.1 -0.5 32 113 A D + 0 0 65 -2,-0.2 56,-1.2 27,-0.1 2,-0.4 -0.602 62.2 155.9 -80.7 91.2 52.5 4.8 -3.8 33 114 A I B -E 87 0B 14 -2,-1.4 26,-2.2 54,-0.2 54,-0.2 -0.923 40.6-103.5-121.7 140.8 50.5 7.8 -5.2 34 115 A W B -F 58 0C 5 52,-3.0 2,-0.5 -2,-0.4 24,-0.3 -0.119 20.1-124.5 -64.6 154.4 49.7 8.5 -8.9 35 116 A V + 0 0 0 22,-2.1 20,-1.9 324,-0.1 22,-0.3 -0.828 50.0 149.3 -94.8 126.5 51.3 11.1 -11.2 36 117 A T - 0 0 4 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.515 25.7-179.0-134.7-157.8 48.6 13.4 -12.5 37 118 A R + 0 0 23 -2,-0.2 16,-2.5 322,-0.2 323,-0.0 -0.855 60.5 55.8 168.5 174.2 47.7 16.9 -13.8 38 119 A E S S- 0 0 9 -2,-0.3 -1,-0.1 14,-0.2 15,-0.1 0.910 73.4-178.6 46.4 65.7 44.7 18.7 -15.1 39 120 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.229 12.4 162.8 -85.6-179.4 42.5 18.0 -12.0 40 121 A Y E -G 51 0D 0 11,-1.8 11,-2.9 107,-0.1 2,-0.3 -0.938 23.1-134.5 176.0 166.2 38.9 18.9 -11.2 41 122 A V E -G 50 0D 1 -2,-0.3 107,-0.4 9,-0.3 2,-0.3 -0.978 13.5-176.7-139.3 153.3 36.0 18.0 -8.9 42 123 A S E -G 49 0D 2 7,-2.1 7,-1.9 -2,-0.3 2,-0.4 -0.924 18.4-139.2-155.8 124.8 32.4 17.4 -9.4 43 124 A b E -G 48 0D 17 287,-0.3 5,-0.3 -2,-0.3 60,-0.1 -0.745 11.3-151.9 -85.6 126.5 29.7 16.7 -6.8 44 125 A D - 0 0 25 3,-2.1 60,-0.0 -2,-0.4 64,-0.0 -0.528 51.2 -80.6 -86.3 170.6 27.0 14.0 -7.6 45 126 A P S S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.738 131.1 29.0 -44.3 -25.2 23.7 14.6 -5.8 46 127 A V S S+ 0 0 118 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.862 124.1 5.9-104.7 -52.0 25.3 13.1 -2.7 47 128 A K - 0 0 81 -5,-0.1 -3,-2.1 34,-0.0 -1,-0.3 -0.988 64.8-108.4-143.1 156.0 29.0 13.6 -2.5 48 129 A b E -G 43 0D 11 -2,-0.3 34,-2.9 -5,-0.3 2,-0.3 -0.540 30.5-165.9 -80.8 134.6 31.9 15.4 -4.2 49 130 A Y E -GH 42 81D 51 -7,-1.9 -7,-2.1 32,-0.3 2,-0.5 -0.920 13.5-133.9-117.5 148.7 34.5 13.3 -6.2 50 131 A Q E -GH 41 80D 1 30,-1.6 30,-1.8 -2,-0.3 -9,-0.3 -0.890 21.9-170.4-112.1 127.5 37.9 14.4 -7.3 51 132 A F E +GH 40 79D 2 -11,-2.9 -11,-1.8 -2,-0.5 2,-0.3 -0.644 12.4 157.2-108.1 166.9 39.2 13.8 -10.9 52 133 A A E - H 0 78D 0 26,-1.1 26,-1.3 -13,-0.3 2,-0.8 -0.955 44.4-103.3-174.0 168.4 42.5 14.2 -12.7 53 134 A L E - H 0 77D 0 -16,-2.5 24,-0.2 -2,-0.3 2,-0.2 -0.836 39.7-159.1-109.6 93.8 44.4 12.8 -15.7 54 135 A G E - H 0 76D 0 22,-1.5 22,-1.8 -2,-0.8 2,-1.0 -0.492 17.5-129.8 -76.0 145.5 46.9 10.3 -14.4 55 136 A Q - 0 0 6 -20,-1.9 20,-0.2 2,-0.2 19,-0.1 -0.247 48.8 -96.6 -89.9 51.8 50.0 9.3 -16.5 56 137 A G S S+ 0 0 0 -2,-1.0 2,-0.3 1,-0.1 -1,-0.1 0.806 99.2 66.2 41.7 41.2 49.8 5.5 -16.3 57 138 A T S S- 0 0 0 -22,-0.3 -22,-2.1 358,-0.1 2,-0.2 -0.987 77.8-107.5-172.8 166.9 52.3 5.5 -13.4 58 139 A T B > -F 34 0C 2 -2,-0.3 3,-0.5 -24,-0.3 -24,-0.2 -0.675 35.9-112.0-102.2 165.8 53.1 6.4 -9.8 59 140 A L T 3 S+ 0 0 1 -26,-2.2 2,-1.6 1,-0.3 5,-0.2 0.932 113.2 48.5 -64.8 -53.5 55.5 9.2 -8.7 60 141 A D T 3 S+ 0 0 100 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.3 -0.437 94.1 105.1 -88.1 60.6 58.3 7.0 -7.2 61 142 A N S < S- 0 0 4 -2,-1.6 3,-0.4 -3,-0.5 4,-0.1 -0.778 80.4-125.7-126.9 163.1 58.3 4.9 -10.3 62 143 A K S > S+ 0 0 125 -2,-0.3 3,-0.9 353,-0.2 357,-0.1 0.626 108.3 70.0 -87.8 -11.0 61.0 5.0 -13.0 63 144 A H T 3 S+ 0 0 11 1,-0.2 -1,-0.2 352,-0.2 -4,-0.1 0.582 77.3 79.9 -78.5 -9.3 58.2 5.6 -15.4 64 145 A S T > + 0 0 0 -3,-0.4 3,-1.0 -5,-0.2 294,-0.3 0.807 65.1 113.7 -69.5 -23.9 57.6 9.0 -14.0 65 146 A N T < S+ 0 0 72 -3,-0.9 292,-0.2 1,-0.2 -3,-0.0 -0.175 83.1 10.7 -51.3 126.3 60.6 10.4 -16.0 66 147 A D T > S+ 0 0 76 290,-2.1 3,-1.0 1,-0.1 -1,-0.2 0.818 72.1 148.5 72.3 39.2 59.3 12.9 -18.6 67 148 A T T < + 0 0 8 -3,-1.0 290,-0.1 289,-0.6 -2,-0.1 0.252 48.0 94.4 -85.6 15.8 55.7 13.4 -17.5 68 149 A V T 3 + 0 0 38 288,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.805 62.3 100.5 -74.1 -24.6 55.8 17.0 -18.8 69 150 A H < - 0 0 103 -3,-1.0 289,-0.1 1,-0.1 3,-0.0 -0.378 67.6-150.4 -64.2 130.0 54.3 15.6 -22.0 70 151 A D S S+ 0 0 85 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.750 72.2 48.3 -72.4 -32.6 50.6 16.2 -22.1 71 152 A R + 0 0 87 -16,-0.0 -1,-0.1 43,-0.0 26,-0.1 -0.971 53.2 139.6-125.2 132.0 49.5 13.2 -24.3 72 153 A I - 0 0 40 -2,-0.4 3,-0.2 24,-0.1 24,-0.1 -0.960 53.1-118.6-153.8 153.7 50.3 9.5 -24.2 73 154 A P S S+ 0 0 42 0, 0.0 2,-2.3 0, 0.0 23,-0.2 0.893 108.8 69.5 -64.9 -37.1 48.1 6.4 -24.7 74 155 A H S S+ 0 0 22 -19,-0.1 2,-0.4 21,-0.1 21,-0.0 -0.383 78.1 112.4 -76.9 59.3 48.8 5.2 -21.2 75 156 A R + 0 0 1 -2,-2.3 21,-2.8 -3,-0.2 2,-0.3 -1.000 42.0 174.0-136.6 135.5 46.7 8.1 -19.7 76 157 A T E -HI 54 95D 0 -22,-1.8 -22,-1.5 -2,-0.4 2,-1.2 -0.934 39.3 -99.3-145.7 162.5 43.4 7.7 -17.9 77 158 A L E -H 53 0D 0 17,-2.2 16,-2.5 -2,-0.3 -24,-0.2 -0.661 39.1-161.5 -85.4 93.3 40.6 9.4 -15.9 78 159 A L E -HI 52 92D 0 -26,-1.3 -26,-1.1 -2,-1.2 2,-0.3 -0.444 10.2-174.6 -71.0 148.3 41.4 8.7 -12.2 79 160 A M E +HI 51 91D 26 12,-1.1 12,-0.6 -28,-0.2 2,-0.2 -0.872 15.2 147.8-152.9 115.6 38.4 9.2 -9.9 80 161 A N E -H 50 0D 24 -30,-1.8 -30,-1.6 -2,-0.3 2,-0.2 -0.676 53.2 -79.4-128.4-176.8 38.1 9.0 -6.0 81 162 A E E > -H 49 0D 80 -32,-0.3 3,-1.1 -2,-0.2 2,-0.3 -0.543 63.0 -83.2 -83.0 159.8 36.0 10.8 -3.5 82 163 A L T 3 S+ 0 0 30 -34,-2.9 -1,-0.1 1,-0.2 -34,-0.1 -0.455 117.5 24.0 -67.2 121.0 37.0 14.3 -2.5 83 164 A G T 3 S+ 0 0 34 -2,-0.3 -1,-0.2 1,-0.3 -34,-0.1 -0.204 96.9 96.9 119.3 -43.8 39.7 14.1 0.1 84 165 A V S < S- 0 0 50 -3,-1.1 -1,-0.3 1,-0.1 -34,-0.2 -0.712 72.2-133.5 -83.6 119.8 41.0 10.7 -0.6 85 166 A P - 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