==== 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 4K1I . 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) . 25876.0 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 . 63 8.1 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 . 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 0 148 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 138.7 -42.5 8.9 -8.7 2 83 A E - 0 0 165 103,-0.1 2,-0.1 1,-0.1 152,-0.1 -0.702 360.0 -95.4-105.1 157.9 -43.4 12.0 -10.9 3 84 A Y - 0 0 60 -2,-0.2 102,-0.3 1,-0.1 2,-0.2 -0.433 43.3-108.1 -66.7 144.1 -41.3 13.9 -13.4 4 85 A R + 0 0 19 100,-2.4 149,-2.4 1,-0.1 150,-0.5 -0.526 36.1 173.6 -67.9 136.5 -39.6 17.1 -12.2 5 86 A N - 0 0 58 147,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.557 28.5-145.9-113.2 -19.7 -41.1 20.3 -13.5 6 87 A W + 0 0 10 1,-0.2 2,-1.4 196,-0.1 197,-0.6 0.813 41.2 157.0 55.3 32.8 -39.0 22.8 -11.5 7 88 A S + 0 0 73 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.335 32.5 99.8 -91.4 54.8 -42.1 25.0 -11.4 8 89 A K S S- 0 0 68 -2,-1.4 195,-0.2 -3,-0.1 328,-0.2 -0.926 80.7 -94.6-127.3 156.8 -41.2 26.9 -8.3 9 90 A P - 0 0 92 0, 0.0 328,-2.4 0, 0.0 2,-0.2 -0.317 48.4 -94.8 -65.2 156.3 -39.7 30.4 -8.1 10 91 A Q B -a 337 0A 31 326,-0.2 328,-0.2 1,-0.1 2,-0.1 -0.530 46.8-104.4 -67.6 136.2 -35.9 30.8 -7.8 11 92 A a - 0 0 18 326,-2.8 2,-0.9 -2,-0.2 328,-0.1 -0.378 30.6-122.3 -60.9 139.4 -34.8 31.2 -4.1 12 93 A Q - 0 0 122 -3,-0.1 2,-0.2 355,-0.1 -1,-0.1 -0.784 40.1-165.6 -89.7 107.8 -33.9 34.8 -3.3 13 94 A I - 0 0 13 -2,-0.9 356,-0.3 1,-0.1 3,-0.1 -0.590 34.4-162.5-103.0 156.8 -30.3 34.5 -2.1 14 95 A T S S- 0 0 51 354,-3.0 2,-0.3 1,-0.4 355,-0.2 0.357 75.3 -60.8-106.4 -2.1 -27.9 36.8 -0.3 15 96 A G E S-B 368 0A 0 353,-0.8 353,-2.5 281,-0.1 -1,-0.4 -0.970 72.0 -57.5 147.3-157.3 -24.8 34.8 -1.4 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.3 324,-0.1 -0.916 31.9-152.0-130.1 147.8 -23.6 31.2 -0.9 17 98 A A E -B 366 0A 30 349,-3.1 349,-2.6 -2,-0.3 355,-0.1 -0.882 37.9 -90.0-117.0 150.2 -22.8 29.0 2.0 18 99 A P E +B 365 0A 79 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.341 48.3 163.3 -60.3 136.9 -20.3 26.1 2.1 19 100 A F E - 0 0 106 345,-2.7 2,-0.3 1,-0.4 346,-0.2 0.706 53.1 -7.7-123.3 -47.6 -21.8 22.7 1.1 20 101 A S E -B 364 0A 24 344,-2.0 344,-2.8 63,-0.0 -1,-0.4 -0.996 41.6-178.9-156.8 156.4 -19.2 20.1 0.3 21 102 A K E -B 363 0A 53 -2,-0.3 342,-0.2 342,-0.2 358,-0.0 -0.941 9.0-164.9-156.2 137.9 -15.5 19.4 -0.3 22 103 A D - 0 0 7 340,-1.6 5,-0.1 -2,-0.3 341,-0.1 0.654 17.1-148.9-107.1 -14.1 -13.8 16.1 -1.2 23 104 A N > + 0 0 60 339,-0.5 4,-2.4 1,-0.1 5,-0.2 0.778 35.3 161.8 56.1 31.4 -10.1 16.6 -0.5 24 105 A S H > + 0 0 0 1,-0.2 4,-1.8 2,-0.2 337,-0.1 0.836 66.6 44.9 -54.5 -45.0 -9.3 14.2 -3.4 25 106 A I H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.927 111.7 51.2 -73.4 -44.3 -5.6 15.2 -3.9 26 107 A R H >4 S+ 0 0 146 353,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.918 114.2 45.8 -54.8 -44.7 -4.7 15.3 -0.2 27 108 A L H >< S+ 0 0 76 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.834 100.1 68.4 -68.4 -33.3 -6.2 11.8 0.1 28 109 A S H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.681 90.8 63.2 -60.4 -21.7 -4.4 10.5 -3.1 29 110 A A T << S+ 0 0 42 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.472 118.2 25.9 -80.7 -4.3 -1.1 10.8 -1.2 30 111 A G T < S+ 0 0 73 -3,-2.2 2,-0.3 1,-0.1 -1,-0.2 -0.229 125.0 28.2-153.1 52.3 -2.2 8.2 1.2 31 112 A G S < S- 0 0 33 -3,-0.6 2,-0.9 2,-0.1 29,-0.3 -0.885 88.8 -80.2 164.4 163.6 -4.8 6.0 -0.5 32 113 A D + 0 0 57 -2,-0.3 56,-0.5 27,-0.1 2,-0.4 -0.793 57.6 163.6 -94.0 104.5 -6.0 4.7 -3.9 33 114 A I - 0 0 10 -2,-0.9 26,-2.2 -5,-0.2 27,-0.2 -0.964 38.1-105.2-129.1 136.4 -7.9 7.6 -5.5 34 115 A W E -E 58 0B 0 52,-2.8 2,-0.5 -2,-0.4 24,-0.3 -0.264 25.3-124.8 -58.6 139.4 -9.0 8.1 -9.1 35 116 A V E + 0 0 0 22,-2.8 20,-1.8 324,-0.1 22,-0.3 -0.780 48.9 163.9 -78.1 128.9 -7.3 10.6 -11.4 36 117 A T E +E 54 0B 1 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.856 26.2 177.9-138.1 168.4 -10.0 12.9 -12.7 37 118 A R E +E 53 0B 25 16,-1.2 16,-2.6 -2,-0.3 323,-0.1 -0.919 62.7 46.7-158.4 176.7 -10.9 16.2 -14.3 38 119 A E E S+ 0 0 7 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.930 73.4 179.1 53.8 54.7 -14.1 17.9 -15.5 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.367 7.1 169.1 -77.3 162.8 -16.1 17.2 -12.4 40 121 A Y E -E 51 0B 1 11,-2.1 11,-3.0 107,-0.1 2,-0.4 -0.957 25.0-124.8-157.8 179.7 -19.7 18.3 -11.7 41 122 A V E +E 50 0B 1 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.982 24.5 166.5-131.1 140.7 -22.6 17.8 -9.3 42 123 A S E -E 49 0B 0 7,-1.9 7,-2.4 -2,-0.4 2,-0.4 -0.972 17.8-149.4-150.1 146.5 -26.2 16.8 -9.9 43 124 A b E -E 48 0B 3 287,-0.3 60,-0.3 -2,-0.3 5,-0.3 -0.917 6.7-145.2-121.5 140.6 -28.9 15.7 -7.5 44 125 A D - 0 0 27 3,-2.4 62,-0.0 -2,-0.4 64,-0.0 -0.313 56.3 -80.3 -80.2 179.9 -31.9 13.4 -7.7 45 126 A P S S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.733 129.6 32.2 -61.4 -19.9 -35.0 14.4 -5.7 46 127 A G S S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.799 123.2 8.4-102.8 -40.1 -33.4 13.1 -2.4 47 128 A K - 0 0 98 -5,-0.0 -3,-2.4 34,-0.0 -1,-0.3 -0.964 63.2-111.8-150.8 163.6 -29.6 13.5 -2.6 48 129 A b E -E 43 0B 18 -2,-0.3 34,-2.6 -5,-0.3 2,-0.4 -0.648 22.5-160.7-100.1 149.4 -26.7 14.9 -4.5 49 130 A Y E -EF 42 81B 46 -7,-2.4 -7,-1.9 32,-0.3 2,-0.4 -0.953 12.5-137.2-126.9 143.4 -23.9 13.1 -6.4 50 131 A Q E -EF 41 80B 0 30,-2.2 30,-2.4 -2,-0.4 2,-0.3 -0.865 23.8-172.1 -98.2 140.3 -20.5 14.1 -7.6 51 132 A F E +EF 40 79B 0 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.3 -0.876 10.2 161.6-121.8 154.9 -19.4 13.2 -11.1 52 133 A A E - F 0 78B 0 26,-1.3 26,-3.3 -2,-0.3 2,-0.8 -0.958 42.1-103.0-163.3 164.3 -16.0 13.4 -12.9 53 134 A L E -EF 37 77B 0 -16,-2.6 -16,-1.2 -2,-0.3 24,-0.2 -0.843 39.3-147.1 -92.2 112.2 -14.2 12.0 -15.9 54 135 A G E -E 36 0B 0 22,-3.1 -18,-0.2 -2,-0.8 22,-0.2 -0.263 11.3-140.4 -67.4 163.5 -11.7 9.4 -14.8 55 136 A Q E - 0 0 4 -20,-1.8 20,-0.2 2,-0.5 -19,-0.1 -0.012 50.2-102.1-111.7 24.6 -8.4 8.9 -16.5 56 137 A G E S+ 0 0 0 18,-0.3 2,-0.3 -21,-0.2 19,-0.1 0.746 95.4 70.5 66.3 24.9 -8.6 5.1 -16.2 57 138 A T E S- 0 0 0 -22,-0.3 -22,-2.8 359,-0.1 -2,-0.5 -0.988 77.7-113.5-162.9 156.2 -6.1 5.1 -13.3 58 139 A T E -E 34 0B 0 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.457 36.8-114.4 -85.2 171.2 -5.5 6.0 -9.7 59 140 A L S S+ 0 0 1 -26,-2.2 2,-1.8 1,-0.2 5,-0.2 0.926 109.9 58.0 -78.1 -47.7 -3.0 8.8 -8.9 60 141 A D S S+ 0 0 81 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.592 93.5 93.6 -82.8 80.0 -0.4 6.7 -7.0 61 142 A N S > S- 0 0 10 -2,-1.8 3,-2.2 -3,-0.2 4,-0.2 -0.910 84.9-120.5-174.3 130.9 0.0 4.6 -10.1 62 143 A K G > S+ 0 0 135 356,-0.4 3,-1.5 712,-0.3 713,-0.1 0.763 110.1 69.4 -60.3 -23.0 2.5 4.8 -13.0 63 144 A H G 3 S+ 0 0 12 1,-0.3 -1,-0.3 352,-0.2 -4,-0.1 0.624 79.8 77.6 -69.9 -11.4 -0.5 5.1 -15.4 64 145 A S G X S+ 0 0 2 -3,-2.2 3,-1.5 -5,-0.2 294,-0.3 0.687 70.0 115.6 -66.2 -18.8 -1.1 8.6 -13.9 65 146 A N T < S+ 0 0 76 -3,-1.5 292,-0.2 1,-0.3 293,-0.0 -0.269 84.7 0.9 -60.8 131.3 1.8 9.9 -16.0 66 147 A D T > S+ 0 0 78 290,-1.5 3,-1.1 1,-0.1 -1,-0.3 0.759 76.7 148.4 61.2 32.1 0.8 12.4 -18.7 67 148 A T T < + 0 0 7 -3,-1.5 -1,-0.1 289,-0.3 290,-0.1 0.272 45.2 98.5 -75.7 12.8 -2.9 12.4 -17.7 68 149 A V T 3 + 0 0 53 288,-0.3 -1,-0.2 282,-0.0 289,-0.1 0.782 59.7 102.9 -65.2 -26.0 -3.0 16.1 -18.8 69 150 A H < - 0 0 98 -3,-1.1 3,-0.1 1,-0.1 289,-0.1 -0.290 67.0-147.8 -63.6 143.7 -4.4 14.8 -22.1 70 151 A D S S+ 0 0 76 1,-0.2 2,-0.5 5,-0.0 -1,-0.1 0.796 75.0 43.0 -84.5 -31.8 -8.2 15.3 -22.5 71 152 A R + 0 0 84 43,-0.0 -1,-0.2 3,-0.0 46,-0.1 -0.951 56.4 139.3-134.3 107.2 -9.2 12.3 -24.6 72 153 A I > - 0 0 48 -2,-0.5 3,-1.5 -3,-0.1 24,-0.1 -0.943 57.3-113.9-132.7 157.8 -8.1 8.6 -24.2 73 154 A P T 3 S+ 0 0 39 0, 0.0 -17,-0.1 0, 0.0 23,-0.1 0.612 109.9 66.6 -69.6 -8.8 -10.4 5.6 -24.6 74 155 A H T 3 S+ 0 0 17 -19,-0.1 -18,-0.3 21,-0.1 2,-0.2 0.526 71.4 112.8 -92.0 -5.8 -10.0 4.7 -20.9 75 156 A R < + 0 0 1 -3,-1.5 21,-1.7 -20,-0.2 2,-0.3 -0.482 44.1 175.8 -67.9 132.0 -11.8 7.8 -19.6 76 157 A T E - G 0 95B 0 19,-0.3 -22,-3.1 -22,-0.2 2,-0.5 -0.965 35.6-104.5-136.1 152.9 -15.1 6.9 -17.9 77 158 A L E -FG 53 94B 0 17,-2.1 16,-2.9 -2,-0.3 17,-0.6 -0.693 35.6-154.5 -81.4 123.0 -17.7 8.8 -16.1 78 159 A L E -FG 52 92B 0 -26,-3.3 -26,-1.3 -2,-0.5 2,-0.4 -0.762 10.1-171.1 -97.5 144.3 -17.5 8.3 -12.3 79 160 A M E +FG 51 91B 14 12,-1.6 12,-0.7 -2,-0.3 2,-0.3 -0.940 14.9 151.7-142.5 117.2 -20.5 8.8 -10.0 80 161 A N E -F 50 0B 18 -30,-2.4 -30,-2.2 -2,-0.4 3,-0.1 -0.890 53.5 -82.9-128.9 164.2 -20.5 8.8 -6.2 81 162 A E E > -F 49 0B 95 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.432 68.3 -84.5 -58.8 143.3 -22.7 10.4 -3.5 82 163 A L T 3 S+ 0 0 31 -34,-2.6 -1,-0.1 1,-0.3 -34,-0.1 -0.318 118.5 23.2 -57.2 126.2 -21.5 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 0.293 90.4 113.1 98.3 -10.5 -18.6 14.0 -0.5 84 165 A V < - 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