==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-13 4K1K . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR Y.WU,F.GAO,J.X.QI,G.F.GAO . 776 2 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 59.4 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 . 19 2.4 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 . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 0 2 6 6 12 4 2 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 0 144 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 138.3 15.2 8.9 -8.7 2 83 A E - 0 0 161 103,-0.1 2,-0.1 1,-0.1 152,-0.1 -0.676 360.0 -93.9-104.9 158.3 14.2 11.9 -10.9 3 84 A Y - 0 0 60 -2,-0.2 102,-0.3 1,-0.1 2,-0.2 -0.438 42.3-109.7 -67.6 142.7 16.2 13.9 -13.4 4 85 A R + 0 0 18 100,-2.5 149,-2.8 1,-0.1 150,-0.5 -0.528 35.4 173.8 -67.5 136.0 18.0 17.0 -12.3 5 86 A N - 0 0 60 147,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.579 28.4-145.9-112.8 -22.1 16.4 20.3 -13.5 6 87 A W + 0 0 10 1,-0.2 2,-1.3 197,-0.1 197,-0.5 0.791 42.2 155.4 57.1 31.6 18.6 22.7 -11.6 7 88 A S + 0 0 69 195,-0.1 -1,-0.2 329,-0.1 195,-0.0 -0.338 31.6 100.4 -91.9 54.6 15.5 24.9 -11.4 8 89 A K S S- 0 0 69 -2,-1.3 195,-0.2 -3,-0.1 328,-0.2 -0.923 80.4 -95.1-126.8 155.8 16.3 26.9 -8.3 9 90 A P - 0 0 90 0, 0.0 328,-2.4 0, 0.0 2,-0.2 -0.308 48.6 -93.7 -66.5 157.5 17.8 30.4 -8.1 10 91 A Q B -a 337 0A 29 326,-0.2 328,-0.2 1,-0.1 2,-0.0 -0.519 46.7-104.0 -68.9 136.0 21.6 30.9 -7.8 11 92 A a - 0 0 18 326,-2.7 2,-1.0 -2,-0.2 328,-0.1 -0.373 30.9-121.6 -59.9 137.8 22.8 31.2 -4.2 12 93 A Q - 0 0 121 -3,-0.1 2,-0.2 355,-0.1 -1,-0.1 -0.747 40.7-164.6 -87.0 104.7 23.6 34.8 -3.4 13 94 A I - 0 0 13 -2,-1.0 356,-0.3 1,-0.1 3,-0.1 -0.570 34.0-165.4 -99.9 155.0 27.3 34.5 -2.3 14 95 A T S S- 0 0 51 354,-3.1 2,-0.3 1,-0.4 355,-0.2 0.392 74.3 -61.2-107.3 -5.5 29.6 36.8 -0.4 15 96 A G E S-B 368 0A 0 353,-0.9 353,-2.4 281,-0.1 -1,-0.4 -0.974 71.6 -56.2 151.0-156.1 32.7 34.8 -1.5 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.937 31.5-152.9-130.1 144.6 34.0 31.3 -1.0 17 98 A A E -B 366 0A 30 349,-3.0 349,-2.6 -2,-0.3 355,-0.1 -0.866 37.6 -92.2-113.2 148.9 34.8 29.0 1.9 18 99 A P E +B 365 0A 79 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.340 47.5 164.4 -60.5 136.5 37.3 26.1 2.0 19 100 A F E - 0 0 106 345,-2.8 2,-0.3 1,-0.4 346,-0.2 0.722 53.2 -7.7-122.2 -45.4 35.8 22.7 1.1 20 101 A S E -B 364 0A 24 344,-2.0 344,-3.1 63,-0.0 -1,-0.4 -0.996 41.6-177.2-159.3 153.8 38.4 20.1 0.2 21 102 A K E -B 363 0A 55 -2,-0.3 342,-0.2 342,-0.2 358,-0.0 -0.954 8.7-164.4-152.9 135.3 42.1 19.5 -0.3 22 103 A D - 0 0 7 340,-1.6 341,-0.1 -2,-0.3 5,-0.1 0.705 16.3-149.1-104.2 -14.7 43.7 16.2 -1.3 23 104 A N > + 0 0 59 339,-0.5 4,-2.4 1,-0.1 5,-0.2 0.768 35.5 160.7 58.1 31.4 47.4 16.6 -0.6 24 105 A S H > + 0 0 0 1,-0.2 4,-1.8 2,-0.2 337,-0.1 0.839 66.7 44.6 -54.9 -46.7 48.2 14.2 -3.4 25 106 A I H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.917 111.9 51.4 -72.1 -43.2 51.9 15.2 -4.0 26 107 A R H >4 S+ 0 0 143 353,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.920 113.5 46.4 -55.2 -43.9 52.8 15.3 -0.3 27 108 A L H >< S+ 0 0 76 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.846 99.8 68.7 -68.4 -32.6 51.3 11.8 0.0 28 109 A S H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.680 90.8 62.6 -59.6 -22.6 53.1 10.6 -3.1 29 110 A A T << S+ 0 0 43 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.483 118.5 25.8 -81.0 -3.7 56.4 10.9 -1.3 30 111 A G T < S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.2 -1,-0.2 -0.213 124.4 26.4-155.5 50.7 55.2 8.2 1.2 31 112 A G S < S- 0 0 34 -3,-0.6 2,-0.9 2,-0.1 29,-0.3 -0.874 89.2 -78.1 164.0 165.9 52.7 6.0 -0.6 32 113 A D + 0 0 58 -2,-0.3 56,-0.5 27,-0.1 2,-0.4 -0.784 57.7 163.9 -93.8 104.9 51.5 4.8 -3.9 33 114 A I - 0 0 11 -2,-0.9 26,-2.3 -5,-0.2 27,-0.2 -0.970 37.6-106.2-128.4 136.7 49.6 7.6 -5.6 34 115 A W E -E 58 0B 0 52,-2.8 2,-0.5 -2,-0.4 24,-0.3 -0.267 25.5-123.3 -59.9 140.7 48.6 8.1 -9.2 35 116 A V E + 0 0 0 22,-2.8 20,-1.7 324,-0.1 22,-0.4 -0.765 49.3 164.8 -78.7 128.4 50.3 10.6 -11.5 36 117 A T E +E 54 0B 1 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.879 26.4 177.3-138.5 165.6 47.5 12.9 -12.7 37 118 A R E +E 53 0B 38 16,-1.3 16,-2.6 -2,-0.3 323,-0.1 -0.921 62.8 45.8-154.6 178.5 46.6 16.1 -14.4 38 119 A E E S- 0 0 21 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.930 72.9-179.8 53.8 55.6 43.4 17.9 -15.6 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.375 6.8 171.6 -79.9 162.8 41.4 17.2 -12.4 40 121 A Y E -E 51 0B 1 11,-2.2 11,-3.1 107,-0.1 2,-0.4 -0.966 24.0-126.7-157.7 174.8 37.8 18.2 -11.8 41 122 A V E +E 50 0B 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.972 24.7 166.5-127.4 140.6 34.9 17.8 -9.4 42 123 A S E -E 49 0B 0 7,-2.0 7,-2.5 -2,-0.4 2,-0.4 -0.976 18.9-147.1-149.3 145.4 31.3 16.8 -10.0 43 124 A b E -E 48 0B 4 287,-0.3 60,-0.4 -2,-0.3 5,-0.3 -0.903 6.1-144.1-119.2 141.4 28.6 15.7 -7.5 44 125 A D - 0 0 31 3,-2.4 62,-0.0 -2,-0.4 5,-0.0 -0.356 56.0 -81.6 -78.5 176.9 25.8 13.3 -7.7 45 126 A P S S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.700 129.2 31.7 -60.1 -14.6 22.6 14.4 -5.8 46 127 A G S S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.804 123.0 9.2-107.2 -41.7 24.2 13.2 -2.5 47 128 A K - 0 0 97 -5,-0.0 -3,-2.4 34,-0.0 -1,-0.3 -0.958 65.7-109.4-147.8 160.7 28.0 13.5 -2.6 48 129 A b E -E 43 0B 19 -2,-0.3 34,-2.4 -5,-0.3 2,-0.3 -0.610 23.8-159.6 -95.8 150.2 30.9 15.0 -4.5 49 130 A Y E -EF 42 81B 45 -7,-2.5 -7,-2.0 32,-0.3 2,-0.4 -0.954 10.8-138.7-126.4 144.8 33.6 13.1 -6.5 50 131 A Q E -EF 41 80B 1 30,-2.6 30,-2.4 -2,-0.3 2,-0.3 -0.874 22.0-172.2-101.7 139.7 37.0 14.1 -7.7 51 132 A F E +EF 40 79B 1 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.3 -0.887 9.5 163.2-122.7 153.4 38.2 13.1 -11.2 52 133 A A E - F 0 78B 0 26,-1.3 26,-3.1 -2,-0.3 2,-0.7 -0.968 41.5-104.2-160.2 163.0 41.5 13.4 -13.0 53 134 A L E -EF 37 77B 0 -16,-2.6 -16,-1.3 -2,-0.3 24,-0.2 -0.842 39.2-147.6 -91.7 113.4 43.3 12.0 -16.0 54 135 A G E -E 36 0B 0 22,-3.2 22,-0.2 -2,-0.7 -18,-0.2 -0.263 11.8-141.1 -69.3 162.3 45.8 9.4 -14.8 55 136 A Q E - 0 0 12 -20,-1.7 20,-0.2 2,-0.5 19,-0.1 -0.002 50.7-102.0-111.1 25.3 49.1 8.8 -16.6 56 137 A G E S+ 0 0 0 18,-0.3 2,-0.3 -21,-0.2 19,-0.1 0.752 95.6 72.1 64.7 26.2 48.9 5.0 -16.2 57 138 A T E S- 0 0 0 -22,-0.4 -22,-2.8 7,-0.1 -2,-0.5 -0.991 77.2-114.2-161.6 156.9 51.4 5.1 -13.4 58 139 A T E -E 34 0B 0 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.485 36.4-114.5 -86.9 170.5 52.0 6.0 -9.8 59 140 A L S S+ 0 0 1 -26,-2.3 2,-1.8 1,-0.2 5,-0.2 0.935 110.0 57.2 -75.8 -48.4 54.5 8.8 -8.9 60 141 A D S S+ 0 0 83 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.587 93.6 94.4 -82.6 77.7 57.1 6.7 -7.1 61 142 A N S > S- 0 0 10 -2,-1.8 3,-2.2 -3,-0.2 4,-0.2 -0.912 84.1-121.5-172.9 130.4 57.5 4.5 -10.2 62 143 A K G > S+ 0 0 138 356,-0.4 3,-1.3 -2,-0.3 357,-0.1 0.767 109.2 69.0 -59.4 -25.0 60.0 4.7 -13.0 63 144 A H G > S+ 0 0 2 1,-0.2 3,-2.1 352,-0.2 -1,-0.3 0.582 73.2 89.6 -69.0 -9.5 57.1 5.1 -15.5 64 145 A S G X S+ 0 0 3 -3,-2.2 3,-1.1 1,-0.3 294,-0.4 0.698 72.0 71.6 -62.0 -18.6 56.4 8.5 -14.0 65 146 A N G X S+ 0 0 54 -3,-1.3 3,-1.1 1,-0.2 -1,-0.3 0.510 73.9 87.4 -74.7 -2.6 58.7 10.0 -16.6 66 147 A D G X + 0 0 30 -3,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.630 62.6 85.8 -67.7 -15.3 56.0 9.2 -19.3 67 148 A T G < S+ 0 0 15 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.606 71.6 75.5 -67.4 -10.3 54.4 12.6 -18.6 68 149 A V G < S+ 0 0 104 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.804 87.1 74.2 -66.9 -27.6 56.8 14.1 -21.2 69 150 A H S < S- 0 0 105 -3,-1.9 3,-0.4 -4,-0.1 2,-0.3 -0.647 84.7-127.0 -89.0 143.7 54.7 12.5 -23.9 70 151 A D S S- 0 0 116 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.697 76.8 -5.2 -91.0 140.3 51.3 13.9 -24.8 71 152 A R S S- 0 0 71 -2,-0.3 -1,-0.2 26,-0.1 44,-0.2 0.837 76.8-169.9 53.9 49.5 48.1 11.9 -24.9 72 153 A I > - 0 0 17 -3,-0.4 3,-1.5 1,-0.1 -1,-0.1 -0.334 32.2-118.8 -68.7 151.4 49.5 8.5 -24.2 73 154 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.614 109.2 68.9 -67.4 -8.4 47.0 5.5 -24.6 74 155 A H T 3 S+ 0 0 16 -19,-0.1 -18,-0.3 21,-0.1 2,-0.2 0.521 70.2 113.0 -90.0 -7.4 47.5 4.7 -20.9 75 156 A R < + 0 0 14 -3,-1.5 21,-1.6 -20,-0.2 2,-0.3 -0.486 44.4 176.2 -66.7 130.5 45.7 7.8 -19.7 76 157 A T E - G 0 95B 0 19,-0.3 -22,-3.2 -22,-0.2 2,-0.5 -0.955 35.3-104.3-136.5 152.4 42.5 6.8 -18.0 77 158 A L E -FG 53 94B 0 17,-2.0 16,-3.1 -2,-0.3 17,-0.6 -0.706 35.8-154.9 -81.6 123.9 39.8 8.8 -16.1 78 159 A L E -FG 52 92B 0 -26,-3.1 -26,-1.3 -2,-0.5 2,-0.4 -0.775 10.2-171.5-100.5 144.2 40.1 8.3 -12.4 79 160 A M E +FG 51 91B 15 12,-1.6 12,-0.8 -2,-0.3 2,-0.3 -0.964 14.5 152.3-143.3 120.7 37.1 8.8 -10.0 80 161 A N E -F 50 0B 18 -30,-2.4 -30,-2.6 -2,-0.4 3,-0.1 -0.928 53.5 -84.5-134.3 159.7 37.0 8.8 -6.2 81 162 A E E > -F 49 0B 92 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.403 68.5 -84.7 -56.3 142.2 34.8 10.4 -3.6 82 163 A L T 3 S+ 0 0 31 -34,-2.4 -1,-0.1 1,-0.3 -34,-0.1 -0.314 118.3 24.4 -58.3 128.3 36.1 14.0 -3.0 83 164 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.302 90.4 113.2 97.5 -10.4 38.9 14.0 -0.6 84 165 A V < - 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