==== 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 4K1H . 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) . 26072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 60.1 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 . 276 35.6 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 . 20 2.6 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 . 66 8.5 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 . 15 1.9 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 . 4 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 0 146 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 143.3 15.0 -9.0 8.7 2 83 A E - 0 0 166 103,-0.1 2,-0.2 1,-0.1 152,-0.1 -0.681 360.0-101.7-103.4 154.8 14.1 -12.1 10.8 3 84 A Y - 0 0 58 -2,-0.3 102,-0.3 1,-0.1 2,-0.2 -0.484 42.6-108.8 -66.1 141.1 16.2 -13.9 13.4 4 85 A R + 0 0 20 100,-2.4 149,-2.6 -2,-0.2 150,-0.5 -0.510 35.8 174.9 -65.0 138.6 17.9 -17.1 12.2 5 86 A N - 0 0 56 147,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.521 28.5-144.9-116.9 -15.2 16.4 -20.3 13.5 6 87 A W + 0 0 10 1,-0.2 2,-1.6 196,-0.1 197,-0.6 0.798 42.1 157.1 51.4 31.6 18.6 -22.8 11.5 7 88 A S + 0 0 71 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.367 32.7 99.3 -89.2 56.7 15.4 -25.0 11.4 8 89 A K S S- 0 0 70 -2,-1.6 195,-0.2 -3,-0.1 328,-0.2 -0.932 80.3 -95.0-130.2 158.1 16.4 -27.0 8.4 9 90 A P - 0 0 95 0, 0.0 328,-2.6 0, 0.0 2,-0.2 -0.324 48.7 -94.9 -66.1 156.3 17.9 -30.5 8.2 10 91 A Q B -a 337 0A 28 326,-0.2 328,-0.2 1,-0.1 2,-0.1 -0.537 46.6-102.9 -70.1 137.0 21.6 -30.9 7.9 11 92 A a - 0 0 19 326,-3.1 2,-0.8 -2,-0.2 328,-0.1 -0.374 31.1-124.6 -61.6 133.8 22.8 -31.2 4.3 12 93 A Q - 0 0 118 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.750 40.6-168.8 -81.5 116.2 23.6 -34.8 3.4 13 94 A I - 0 0 20 -2,-0.8 356,-0.3 1,-0.1 3,-0.1 -0.626 36.6-160.3-110.9 168.6 27.2 -34.6 2.2 14 95 A T S S- 0 0 52 354,-2.9 2,-0.3 1,-0.4 355,-0.2 0.305 75.2 -60.1-121.4 0.3 29.7 -36.9 0.4 15 96 A G E S-B 368 0A 0 353,-0.7 353,-2.5 281,-0.1 -1,-0.4 -0.972 71.6 -57.1 145.7-159.2 32.7 -34.8 1.5 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.3 324,-0.1 -0.896 31.8-152.6-127.5 150.9 34.0 -31.3 1.0 17 98 A A E -B 366 0A 30 349,-3.0 349,-2.5 -2,-0.3 355,-0.1 -0.907 37.9 -88.8-119.9 150.2 34.8 -29.0 -1.9 18 99 A P E +B 365 0A 80 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.294 48.8 163.0 -56.3 135.6 37.3 -26.1 -2.1 19 100 A F E - 0 0 105 345,-2.6 2,-0.3 1,-0.4 346,-0.2 0.703 53.4 -9.1-124.9 -46.1 35.7 -22.8 -1.1 20 101 A S E -B 364 0A 23 344,-2.2 344,-2.9 63,-0.0 -1,-0.4 -0.996 42.3-179.0-156.6 157.9 38.3 -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 -0.946 8.6-165.4-156.6 138.7 42.1 -19.4 0.3 22 103 A D - 0 0 6 340,-1.6 341,-0.1 -2,-0.3 5,-0.1 0.667 17.4-148.4-109.1 -15.2 43.7 -16.1 1.2 23 104 A N > + 0 0 60 339,-0.5 4,-2.2 1,-0.1 5,-0.2 0.825 34.8 162.9 58.6 30.9 47.4 -16.6 0.5 24 105 A S H > + 0 0 0 1,-0.2 4,-1.7 2,-0.2 337,-0.1 0.855 67.0 44.9 -53.8 -43.3 48.2 -14.2 3.4 25 106 A I H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.909 111.2 51.3 -76.6 -40.2 51.9 -15.2 3.9 26 107 A R H >4 S+ 0 0 145 353,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.919 113.6 47.0 -55.7 -43.6 52.8 -15.2 0.2 27 108 A L H >< S+ 0 0 78 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.853 99.9 68.3 -68.9 -33.6 51.3 -11.8 -0.1 28 109 A S H >< S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.3 -1,-0.2 0.660 89.3 64.7 -60.7 -19.2 53.1 -10.6 3.0 29 110 A A T << S+ 0 0 41 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.461 117.7 24.7 -82.9 -2.5 56.4 -10.8 1.2 30 111 A G T < S+ 0 0 72 -3,-2.3 2,-0.2 1,-0.2 -1,-0.2 -0.257 123.8 28.5-157.1 57.4 55.3 -8.1 -1.2 31 112 A G S < S- 0 0 35 -3,-0.5 2,-0.8 2,-0.1 29,-0.3 -0.819 89.3 -79.7 158.5 160.6 52.7 -5.9 0.5 32 113 A D + 0 0 56 -2,-0.2 56,-0.5 27,-0.1 2,-0.4 -0.779 57.1 164.4 -93.5 106.6 51.6 -4.7 3.9 33 114 A I B -E 87 0B 11 -2,-0.8 26,-2.3 -5,-0.2 54,-0.2 -0.967 37.7-104.7-129.4 136.9 49.6 -7.5 5.5 34 115 A W E -F 58 0C 0 52,-3.0 2,-0.5 -2,-0.4 24,-0.3 -0.237 25.5-124.7 -58.2 142.2 48.5 -8.0 9.1 35 116 A V E + 0 0 0 22,-2.8 20,-1.9 324,-0.1 22,-0.4 -0.811 49.1 161.1 -80.4 128.4 50.2 -10.5 11.4 36 117 A T E +F 54 0C 1 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.842 25.7 178.4-137.9 173.4 47.5 -12.8 12.7 37 118 A R E +F 53 0C 22 16,-1.1 16,-2.6 -2,-0.3 323,-0.1 -0.921 62.1 48.0-163.3 177.8 46.6 -16.1 14.3 38 119 A E E S+ 0 0 8 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.939 73.5 178.6 52.1 55.0 43.5 -17.9 15.5 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.356 7.4 169.7 -80.2 167.4 41.4 -17.2 12.4 40 121 A Y E -F 51 0C 0 11,-2.1 11,-3.0 107,-0.1 2,-0.4 -0.964 24.9-123.9-161.1 177.4 37.9 -18.3 11.7 41 122 A V E +F 50 0C 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.976 24.9 167.2-130.7 142.1 34.9 -17.8 9.3 42 123 A S E -F 49 0C 0 7,-1.9 7,-2.7 -2,-0.4 2,-0.4 -0.979 18.3-146.4-150.9 147.5 31.3 -16.8 9.9 43 124 A b E -F 48 0C 3 287,-0.3 60,-0.3 -2,-0.3 5,-0.3 -0.924 6.5-145.1-122.7 139.8 28.6 -15.7 7.5 44 125 A D - 0 0 29 3,-2.4 62,-0.0 -2,-0.4 64,-0.0 -0.319 55.2 -84.1 -78.4 177.3 25.7 -13.3 7.7 45 126 A P S S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.753 129.2 35.2 -62.0 -17.9 22.6 -14.5 5.7 46 127 A G S S+ 0 0 65 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.836 123.6 1.3 -99.6 -43.2 24.1 -13.1 2.5 47 128 A K - 0 0 104 -5,-0.0 -3,-2.4 34,-0.0 -1,-0.3 -0.963 64.0-105.4-150.7 167.6 27.9 -13.6 2.6 48 129 A b E -F 43 0C 18 -2,-0.3 34,-2.3 -5,-0.3 2,-0.4 -0.608 23.4-160.1 -99.2 150.9 30.8 -14.9 4.5 49 130 A Y E -FG 42 81C 48 -7,-2.7 -7,-1.9 32,-0.3 2,-0.4 -0.952 12.1-137.8-125.4 145.0 33.5 -13.1 6.5 50 131 A Q E -FG 41 80C 0 30,-2.4 30,-2.3 -2,-0.4 2,-0.3 -0.871 24.1-173.0-100.2 140.1 37.0 -14.1 7.6 51 132 A F E +FG 40 79C 0 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.3 -0.876 9.6 161.5-123.7 154.7 38.1 -13.1 11.1 52 133 A A E - G 0 78C 0 26,-1.3 26,-3.0 -2,-0.3 2,-0.8 -0.970 42.9-100.5-161.4 166.2 41.5 -13.4 12.9 53 134 A L E -FG 37 77C 0 -16,-2.6 -16,-1.1 -2,-0.3 24,-0.2 -0.812 40.2-147.5 -89.5 112.8 43.3 -12.0 15.9 54 135 A G E -F 36 0C 0 22,-3.0 -18,-0.2 -2,-0.8 22,-0.2 -0.280 10.5-141.0 -67.2 162.4 45.8 -9.3 14.7 55 136 A Q E - 0 0 4 -20,-1.9 20,-0.2 2,-0.5 -19,-0.1 0.031 49.2-103.0-109.9 23.7 49.1 -8.8 16.5 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 18,-0.2 19,-0.1 0.740 95.3 69.2 65.4 25.9 48.9 -5.1 16.1 57 138 A T E S- 0 0 0 -22,-0.4 -22,-2.8 359,-0.1 -2,-0.5 -0.989 77.9-112.8-162.4 160.5 51.4 -5.1 13.3 58 139 A T E -F 34 0C 0 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.501 36.8-112.5 -90.8 173.0 52.0 -6.0 9.7 59 140 A L S S+ 0 0 1 -26,-2.3 2,-1.7 1,-0.2 5,-0.2 0.931 110.0 56.3 -76.4 -47.9 54.5 -8.8 8.8 60 141 A D S S+ 0 0 81 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.628 94.0 93.9 -84.6 81.6 57.1 -6.7 7.0 61 142 A N S > S- 0 0 10 -2,-1.7 3,-2.1 -3,-0.2 4,-0.2 -0.912 84.7-119.3-174.8 131.6 57.5 -4.5 10.1 62 143 A K G > S+ 0 0 131 356,-0.4 3,-1.6 712,-0.3 713,-0.1 0.780 109.8 69.1 -60.8 -22.6 60.0 -4.7 13.0 63 144 A H G 3 S+ 0 0 11 1,-0.3 -1,-0.3 352,-0.2 -4,-0.1 0.582 80.7 76.6 -71.5 -6.7 57.0 -5.1 15.4 64 145 A S G X S+ 0 0 2 -3,-2.1 3,-1.3 -5,-0.2 294,-0.4 0.668 70.0 115.2 -74.7 -15.2 56.4 -8.6 13.9 65 146 A N T < S+ 0 0 78 -3,-1.6 292,-0.2 1,-0.3 293,-0.0 -0.315 85.1 1.8 -59.4 131.4 59.3 -9.8 16.0 66 147 A D T > S+ 0 0 82 290,-1.9 3,-0.9 1,-0.1 -1,-0.3 0.816 76.6 149.0 58.8 38.3 58.3 -12.3 18.6 67 148 A T T < + 0 0 8 -3,-1.3 -1,-0.1 289,-0.4 290,-0.1 0.219 43.9 99.7 -81.9 15.3 54.6 -12.4 17.7 68 149 A V T 3 + 0 0 51 288,-0.3 -1,-0.2 282,-0.0 289,-0.1 0.817 58.4 102.7 -66.1 -27.1 54.6 -16.1 18.8 69 150 A H < - 0 0 101 -3,-0.9 3,-0.1 1,-0.1 289,-0.1 -0.282 66.6-147.7 -64.4 139.2 53.1 -14.8 22.1 70 151 A D S S+ 0 0 77 1,-0.2 2,-0.5 5,-0.0 -1,-0.1 0.768 76.0 46.5 -79.4 -27.8 49.3 -15.4 22.5 71 152 A R + 0 0 80 43,-0.0 -1,-0.2 3,-0.0 46,-0.1 -0.924 55.8 138.6-133.2 110.1 48.4 -12.3 24.6 72 153 A I > - 0 0 46 -2,-0.5 3,-1.5 -3,-0.1 24,-0.1 -0.950 56.5-114.3-136.6 158.4 49.3 -8.7 24.2 73 154 A P T 3 S+ 0 0 40 0, 0.0 23,-0.1 0, 0.0 -17,-0.1 0.665 110.5 65.2 -66.8 -13.9 47.1 -5.5 24.6 74 155 A H T 3 S+ 0 0 16 -19,-0.1 -18,-0.2 21,-0.1 2,-0.2 0.520 71.4 112.0 -91.5 -5.4 47.5 -4.7 20.9 75 156 A R < + 0 0 0 -3,-1.5 21,-1.8 -20,-0.2 2,-0.3 -0.497 43.9 176.3 -68.1 132.2 45.7 -7.8 19.6 76 157 A T E - H 0 95C 0 19,-0.3 -22,-3.0 -22,-0.2 2,-0.5 -0.959 35.6-104.1-134.8 153.0 42.4 -6.8 17.9 77 158 A L E -GH 53 94C 0 17,-2.0 16,-2.8 -2,-0.3 17,-0.6 -0.693 36.3-155.0 -80.3 122.4 39.7 -8.8 16.1 78 159 A L E -GH 52 92C 0 -26,-3.0 -26,-1.3 -2,-0.5 2,-0.4 -0.773 9.6-170.5 -97.5 146.1 40.0 -8.3 12.3 79 160 A M E +GH 51 91C 14 12,-1.6 12,-0.8 -2,-0.3 2,-0.3 -0.954 15.1 152.5-142.2 116.5 37.0 -8.8 10.0 80 161 A N E -G 50 0C 17 -30,-2.3 -30,-2.4 -2,-0.4 2,-0.1 -0.898 53.5 -84.0-127.1 163.6 37.0 -8.8 6.2 81 162 A E E > -G 49 0C 98 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.450 67.9 -84.9 -57.8 142.3 34.8 -10.4 3.5 82 163 A L T 3 S+ 0 0 31 -34,-2.3 -1,-0.1 1,-0.3 -34,-0.1 -0.300 118.3 24.3 -56.9 126.7 36.0 -14.0 3.0 83 164 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.278 90.6 112.5 98.4 -12.0 38.9 -14.0 0.5 84 165 A V < - 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