==== 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/HYDROLASE INHIBITOR 30-JUN-00 1F8C . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR B.J.SMITH,P.M.COLMAN,M.VON ITZSTEIN,B.DANYLEC,J.N.VARGHESE . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 58.8 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 . 127 32.7 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 . 6 1.5 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 . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.4 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 . 1 0.3 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 . 4 1 0 4 1 9 0 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 5 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 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 R 0 0 265 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -87.6 10.8 9.5 31.1 2 83 A D - 0 0 135 104,-0.2 2,-0.1 1,-0.0 153,-0.1 -0.813 360.0 -88.1-116.9 159.1 13.5 12.1 30.2 3 84 A F - 0 0 21 -2,-0.3 103,-0.3 1,-0.1 2,-0.2 -0.434 48.7-112.0 -66.5 139.1 16.0 13.8 32.6 4 85 A N - 0 0 30 101,-2.6 150,-2.2 -2,-0.1 151,-0.5 -0.517 29.6-156.3 -73.9 140.9 14.6 16.9 34.1 5 86 A N - 0 0 62 148,-0.2 2,-2.1 -2,-0.2 3,-0.2 -0.944 22.9-122.1-118.1 138.9 16.2 20.2 33.0 6 87 A L + 0 0 2 -2,-0.4 199,-2.3 1,-0.2 200,-0.1 -0.531 56.1 146.4 -79.0 78.2 16.2 23.4 35.1 7 88 A T + 0 0 94 -2,-2.1 2,-0.2 197,-0.2 -1,-0.2 0.632 45.3 71.9 -92.5 -14.8 14.5 25.5 32.4 8 89 A K - 0 0 44 -3,-0.2 196,-2.1 194,-0.1 2,-0.2 -0.634 68.8-133.8-104.4 161.5 12.4 27.8 34.6 9 90 A G - 0 0 6 327,-0.5 329,-2.3 194,-0.2 2,-0.1 -0.533 45.0 -76.3 -99.6 172.9 13.2 30.7 36.8 10 91 A L B -a 338 0A 18 327,-0.2 329,-0.2 -2,-0.2 -1,-0.1 -0.358 45.3-115.4 -70.1 147.2 11.8 31.2 40.3 11 92 A a - 0 0 15 327,-2.6 2,-0.4 1,-0.1 329,-0.2 -0.452 45.6 -87.8 -74.9 160.0 8.2 32.4 40.8 12 93 A T - 0 0 77 -2,-0.1 2,-0.9 1,-0.1 3,-0.2 -0.563 40.2-141.3 -72.5 125.8 7.9 35.8 42.5 13 94 A I + 0 0 0 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.808 39.3 153.4 -94.2 105.8 7.8 35.3 46.2 14 95 A N S S- 0 0 26 355,-2.7 2,-0.3 -2,-0.9 356,-0.2 0.584 73.2 -24.0-105.3 -15.4 5.3 37.7 47.7 15 96 A S E -B 369 0B 2 354,-1.2 354,-2.4 -3,-0.2 2,-0.4 -0.947 67.6 -99.8-174.0-178.2 4.5 35.5 50.8 16 97 A W E -B 368 0B 3 -2,-0.3 2,-0.3 352,-0.3 352,-0.2 -0.978 25.1-160.0-125.1 133.5 4.6 31.9 52.0 17 98 A H E -B 367 0B 46 350,-2.9 350,-1.9 -2,-0.4 2,-0.2 -0.816 35.3 -93.8-109.1 152.8 1.7 29.5 52.2 18 99 A I E +B 366 0B 66 -2,-0.3 348,-0.3 348,-0.2 3,-0.1 -0.437 45.4 168.6 -65.4 131.7 1.5 26.3 54.4 19 100 A Y E - 0 0 62 346,-2.9 2,-0.3 1,-0.4 347,-0.2 0.758 58.3 -9.9-111.2 -54.2 2.6 23.3 52.4 20 101 A G E +B 365 0B 3 345,-1.7 345,-2.6 63,-0.0 -1,-0.4 -0.991 48.1 172.4-150.5 157.0 3.0 20.4 54.9 21 102 A K E -B 364 0B 28 -2,-0.3 343,-0.2 343,-0.2 359,-0.0 -0.860 8.9-171.1-163.4 127.5 3.1 19.7 58.6 22 103 A D - 0 0 2 341,-1.4 5,-0.2 -2,-0.3 342,-0.1 0.598 20.9-147.7-102.1 -12.1 3.3 16.2 60.2 23 104 A N > + 0 0 52 340,-0.6 4,-2.4 1,-0.1 5,-0.3 0.873 35.8 165.8 47.3 40.1 2.8 17.0 63.9 24 105 A A H > + 0 0 2 1,-0.2 4,-2.7 2,-0.2 338,-0.1 0.853 65.2 47.2 -56.9 -45.7 5.0 14.0 64.5 25 106 A V H 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.890 113.0 49.3 -67.3 -39.2 5.9 14.6 68.2 26 107 A R H >4 S+ 0 0 142 354,-0.3 3,-1.1 2,-0.2 4,-0.3 0.968 117.9 39.7 -60.0 -56.3 2.2 15.2 69.1 27 108 A I H >< S+ 0 0 76 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.903 109.6 60.0 -61.2 -43.8 1.0 12.1 67.3 28 109 A G G >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 32,-0.4 0.486 81.4 83.2 -66.5 -6.6 3.9 9.9 68.4 29 110 A E G < S+ 0 0 59 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.775 114.6 14.5 -66.3 -24.4 3.1 10.5 72.1 30 111 A D G < S+ 0 0 133 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 -0.157 123.5 55.1-146.0 42.7 0.6 7.6 71.5 31 112 A S S < S- 0 0 44 -3,-0.6 2,-2.0 2,-0.1 29,-0.3 -0.951 94.7 -81.7-165.0 164.1 1.4 5.9 68.3 32 113 A D + 0 0 69 -2,-0.3 56,-2.4 26,-0.1 2,-0.4 -0.430 62.0 157.1 -80.9 71.5 4.5 4.2 66.7 33 114 A V B -E 87 0C 1 -2,-2.0 26,-2.0 -5,-0.3 54,-0.3 -0.785 39.1-123.3 -97.7 132.1 6.4 7.2 65.4 34 115 A L B -F 58 0D 22 52,-3.1 2,-0.3 -2,-0.4 24,-0.3 -0.420 22.3-114.4 -74.3 147.5 10.1 6.9 64.9 35 116 A V + 0 0 0 22,-2.8 20,-2.1 -2,-0.1 21,-0.4 -0.665 51.1 162.3 -78.1 137.3 12.5 9.2 66.5 36 117 A T + 0 0 2 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.768 23.3 178.8-140.9-174.9 14.3 11.3 63.8 37 118 A R + 0 0 26 16,-0.5 16,-2.3 -2,-0.2 324,-0.1 -0.873 61.8 51.9-177.7 169.4 16.3 14.5 63.2 38 119 A E S S+ 0 0 8 -2,-0.3 62,-0.1 14,-0.2 16,-0.1 0.926 74.7 175.6 56.7 53.3 17.8 16.2 60.1 39 120 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.253 10.9 163.6 -83.7 172.4 14.6 16.1 58.0 40 121 A Y E -G 51 0E 0 11,-2.3 11,-2.6 108,-0.1 2,-0.3 -0.945 30.1-114.8-167.8-177.8 13.9 17.5 54.6 41 122 A V E +G 50 0E 1 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.974 27.6 175.5-133.3 147.2 11.4 17.3 51.7 42 123 A S E -G 49 0E 0 7,-2.0 7,-2.4 -2,-0.3 2,-0.3 -0.972 17.3-137.5-155.1 139.2 12.0 16.0 48.1 43 124 A b E -G 48 0E 1 286,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.734 6.2-162.8-105.4 148.1 9.8 15.4 45.1 44 125 A D E > -G 47 0E 22 3,-4.0 3,-0.7 -2,-0.3 288,-0.2 -0.665 49.3 -93.8-109.3 167.4 9.5 12.7 42.5 45 126 A P T 3 S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.772 125.4 26.5 -57.3 -25.2 7.7 13.5 39.3 46 127 A D T 3 S+ 0 0 138 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.347 127.2 27.8-121.0 7.2 4.5 12.1 40.7 47 128 A E E < -G 44 0E 67 -3,-0.7 -3,-4.0 2,-0.0 2,-0.4 -0.967 55.0-147.3-166.8 146.2 4.8 12.6 44.5 48 129 A b E -G 43 0E 18 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.963 28.2-176.8-118.2 137.9 6.5 14.7 47.1 49 130 A R E -GH 42 81E 13 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.3 -0.899 27.9-111.2-135.0 162.7 7.6 13.1 50.4 50 131 A F E -GH 41 80E 0 30,-2.3 30,-2.2 -2,-0.3 2,-0.3 -0.661 33.9-167.6 -90.1 148.7 9.1 13.9 53.8 51 132 A Y E +GH 40 79E 0 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.3 -0.938 14.8 149.3-133.5 154.1 12.7 12.5 54.5 52 133 A A E - H 0 78E 0 26,-1.8 26,-2.9 -2,-0.3 2,-0.8 -0.977 48.5 -93.8-173.0 169.6 14.7 12.2 57.7 53 134 A L E - H 0 77E 0 -16,-2.3 -16,-0.5 -2,-0.3 24,-0.2 -0.861 42.1-148.8 -99.1 107.4 17.4 10.3 59.6 54 135 A S E - H 0 76E 7 22,-2.7 22,-0.9 -2,-0.8 -18,-0.2 -0.312 10.7-145.6 -68.3 159.7 15.6 7.8 61.8 55 136 A Q - 0 0 14 -20,-2.1 20,-0.1 2,-0.4 -19,-0.1 0.254 44.3-112.1-108.2 6.6 17.3 6.9 65.1 56 137 A G S S+ 0 0 44 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.890 87.8 75.6 64.7 43.2 15.9 3.3 64.9 57 138 A T S S- 0 0 17 -22,-0.3 -22,-2.8 7,-0.1 -2,-0.4 -0.933 81.1-104.8-170.5 156.2 13.5 3.4 67.8 58 139 A T B -F 34 0D 30 -24,-0.3 -24,-0.3 -2,-0.3 -26,-0.1 -0.477 33.7-114.9 -84.7 164.3 10.0 4.9 68.5 59 140 A I S S+ 0 0 2 -26,-2.0 5,-0.1 1,-0.2 -25,-0.1 0.892 117.7 44.1 -67.8 -42.0 9.7 8.1 70.7 60 141 A R S S+ 0 0 113 -32,-0.4 -1,-0.2 -29,-0.3 -28,-0.1 0.644 95.5 105.2 -76.3 -14.6 7.8 6.3 73.4 61 142 A G S > S- 0 0 18 1,-0.1 3,-1.7 2,-0.1 4,-0.2 -0.295 81.7-122.2 -67.2 151.4 10.2 3.3 73.2 62 143 A K G > S+ 0 0 192 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.770 110.4 67.4 -64.3 -25.7 12.9 2.8 75.9 63 144 A H G 3 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.464 77.7 82.9 -74.7 0.4 15.6 3.0 73.2 64 145 A S G X + 0 0 12 -3,-1.7 3,-1.9 -5,-0.1 2,-0.4 0.703 66.4 105.4 -73.7 -17.4 14.6 6.7 72.7 65 146 A N T < S+ 0 0 94 -3,-1.5 293,-0.2 1,-0.3 -3,-0.0 -0.492 86.4 17.4 -66.0 117.2 16.9 7.3 75.6 66 147 A G T > S+ 0 0 26 291,-2.5 3,-2.1 -2,-0.4 -1,-0.3 0.397 77.4 133.9 103.4 -2.6 20.1 8.8 74.2 67 148 A T T < + 0 0 9 -3,-1.9 291,-0.1 1,-0.3 -2,-0.1 0.352 52.3 87.1 -65.2 7.0 18.8 9.9 70.8 68 149 A I T 3 S+ 0 0 65 289,-0.3 -1,-0.3 -4,-0.1 290,-0.1 0.813 71.2 99.4 -72.1 -26.0 20.5 13.3 71.2 69 150 A H < - 0 0 133 -3,-2.1 3,-0.2 1,-0.1 290,-0.1 -0.333 65.9-151.4 -65.2 138.6 23.6 11.4 69.7 70 151 A D S S+ 0 0 73 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.794 71.1 38.9 -80.4 -38.9 24.2 12.0 66.0 71 152 A R + 0 0 95 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.853 63.9 139.7-130.2 100.3 25.9 8.9 64.6 72 153 A S > - 0 0 27 -2,-0.5 3,-1.0 -3,-0.2 44,-0.1 -0.818 61.3-108.5-127.6 169.9 25.0 5.4 65.6 73 154 A Q T 3 S+ 0 0 158 -2,-0.3 -17,-0.0 1,-0.2 -18,-0.0 0.445 111.7 68.8 -76.8 -1.0 24.7 2.1 63.6 74 155 A Y T 3 S+ 0 0 159 -19,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.340 77.6 99.9-102.0 6.8 20.9 2.4 64.1 75 156 A R < + 0 0 2 -3,-1.0 22,-1.1 -20,-0.1 2,-0.3 -0.563 43.0 168.9 -93.3 155.6 20.2 5.4 61.9 76 157 A A E -HI 54 96E 11 -22,-0.9 -22,-2.7 20,-0.3 2,-0.6 -0.978 40.4-106.6-160.1 150.9 18.9 5.4 58.4 77 158 A L E +HI 53 95E 0 18,-2.4 17,-2.9 -2,-0.3 18,-1.1 -0.753 47.6 179.7 -80.7 124.2 17.5 7.8 55.8 78 159 A I E -HI 52 93E 4 -26,-2.9 -26,-1.8 -2,-0.6 2,-0.3 -0.880 15.1-161.7-122.8 158.5 13.8 7.1 55.6 79 160 A S E +HI 51 92E 0 13,-2.2 13,-3.2 -2,-0.3 -28,-0.2 -0.964 12.1 172.2-135.6 155.2 11.0 8.7 53.6 80 161 A W E -H 50 0E 0 -30,-2.2 -30,-2.3 -2,-0.3 3,-0.1 -0.975 42.8 -60.0-155.8 164.3 7.3 8.7 54.1 81 162 A P E > -H 49 0E 47 0, 0.0 3,-2.3 0, 0.0 -32,-0.2 -0.185 69.4 -84.4 -54.2 138.3 4.1 10.3 52.7 82 163 A L T 3 S- 0 0 59 -34,-0.9 -33,-0.1 1,-0.3 -41,-0.0 -0.133 109.4 -1.0 -47.4 124.9 3.8 14.1 52.8 83 164 A S T 3 S+ 0 0 44 1,-0.3 -1,-0.3 -3,-0.1 -34,-0.0 0.421 102.6 115.0 71.9 1.1 2.5 15.4 56.1 84 165 A S S < S- 0 0 48 -3,-2.3 -1,-0.3 1,-0.1 -60,-0.1 -0.560 74.6-107.5 -88.0 160.5 2.1 12.0 57.6 85 166 A P - 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