==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUN-00 1F8B . 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) . 14812.0 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 32.5 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 . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 5 0 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 . 1 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 0 251 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -91.3 10.8 9.6 31.2 2 83 A D - 0 0 129 104,-0.2 2,-0.1 105,-0.0 153,-0.1 -0.838 360.0 -88.9-119.8 158.0 13.5 12.2 30.3 3 84 A F - 0 0 22 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.443 47.7-113.4 -68.2 141.6 16.0 13.9 32.6 4 85 A N - 0 0 31 101,-2.7 150,-2.4 -2,-0.1 151,-0.5 -0.556 28.6-156.8 -77.4 141.9 14.6 17.1 34.1 5 86 A N - 0 0 62 148,-0.2 2,-2.2 -2,-0.2 3,-0.3 -0.949 23.4-121.6-118.9 139.2 16.3 20.3 33.1 6 87 A L + 0 0 2 -2,-0.4 199,-2.3 1,-0.2 200,-0.1 -0.515 56.0 146.0 -78.9 76.4 16.2 23.5 35.1 7 88 A T + 0 0 95 -2,-2.2 -1,-0.2 197,-0.2 2,-0.2 0.672 45.7 74.4 -89.6 -17.7 14.5 25.6 32.4 8 89 A K - 0 0 46 -3,-0.3 196,-2.0 194,-0.1 2,-0.2 -0.566 68.5-135.0 -98.9 160.9 12.4 27.9 34.6 9 90 A G E -a 337 0A 6 327,-0.5 329,-2.2 194,-0.2 2,-0.1 -0.541 44.7 -77.8 -99.5 172.6 13.2 30.8 36.8 10 91 A L E -a 338 0A 19 327,-0.2 329,-0.2 -2,-0.2 -1,-0.1 -0.349 45.0-114.2 -71.0 150.6 11.8 31.3 40.4 11 92 A a - 0 0 15 327,-2.4 2,-0.4 1,-0.1 329,-0.2 -0.437 44.6 -88.6 -77.3 160.7 8.2 32.5 40.8 12 93 A T - 0 0 79 -2,-0.1 2,-0.8 1,-0.1 3,-0.2 -0.594 40.4-142.4 -72.6 126.6 7.8 35.9 42.5 13 94 A I + 0 0 0 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.839 38.6 153.7 -96.1 111.2 7.7 35.4 46.3 14 95 A N S S- 0 0 28 355,-2.8 2,-0.3 -2,-0.8 356,-0.2 0.525 73.4 -23.7-110.2 -14.0 5.2 37.8 47.8 15 96 A S E -B 369 0B 2 354,-1.2 354,-2.4 -3,-0.2 2,-0.4 -0.945 67.5-100.7-174.5-176.7 4.4 35.6 50.8 16 97 A W E -B 368 0B 3 -2,-0.3 2,-0.3 352,-0.3 352,-0.2 -0.992 24.8-159.5-128.7 132.5 4.5 31.9 52.0 17 98 A H E -B 367 0B 46 350,-2.8 350,-1.9 -2,-0.4 2,-0.2 -0.780 35.1 -93.0-107.1 154.0 1.6 29.5 52.3 18 99 A I E +B 366 0B 66 -2,-0.3 348,-0.2 348,-0.2 3,-0.1 -0.450 45.2 168.9 -67.8 132.0 1.4 26.4 54.4 19 100 A Y E - 0 0 63 346,-2.9 2,-0.3 1,-0.4 347,-0.2 0.776 57.6 -11.0-111.5 -52.8 2.5 23.3 52.4 20 101 A G E +B 365 0B 3 345,-1.6 345,-2.5 63,-0.0 -1,-0.4 -0.994 48.2 173.4-152.5 155.3 2.9 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 -0.880 9.1-171.1-161.6 128.3 3.1 19.6 58.6 22 103 A D - 0 0 3 341,-1.4 5,-0.2 -2,-0.3 342,-0.1 0.595 20.7-148.0-102.2 -11.3 3.2 16.2 60.2 23 104 A N > + 0 0 52 340,-0.5 4,-2.5 1,-0.1 5,-0.3 0.845 35.3 166.4 46.0 37.9 2.8 17.0 64.0 24 105 A A H > + 0 0 2 1,-0.2 4,-3.1 2,-0.2 338,-0.1 0.853 65.2 45.4 -51.0 -50.0 5.0 14.0 64.5 25 106 A V H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.881 113.1 50.8 -65.8 -40.5 5.8 14.5 68.2 26 107 A R H >4 S+ 0 0 143 354,-0.3 3,-1.0 1,-0.2 4,-0.2 0.965 118.3 38.4 -59.3 -54.5 2.2 15.3 69.2 27 108 A I H >< S+ 0 0 76 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.900 109.1 61.2 -64.5 -42.9 1.0 12.2 67.4 28 109 A G G >< S+ 0 0 0 -4,-3.1 3,-0.6 1,-0.3 32,-0.4 0.472 80.7 84.0 -65.6 -5.2 3.9 10.0 68.5 29 110 A E G < S+ 0 0 59 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.796 114.6 13.4 -66.6 -26.6 3.0 10.5 72.2 30 111 A D G < S+ 0 0 134 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 -0.254 123.3 58.6-146.1 48.3 0.6 7.7 71.6 31 112 A S S < S- 0 0 43 -3,-0.6 2,-2.1 2,-0.1 29,-0.3 -0.954 94.1 -84.0-167.6 161.0 1.4 6.0 68.3 32 113 A D + 0 0 71 -2,-0.3 56,-2.3 26,-0.1 2,-0.4 -0.449 61.5 158.5 -79.8 73.1 4.5 4.2 66.8 33 114 A V B -E 87 0C 1 -2,-2.1 26,-2.1 -5,-0.3 27,-0.3 -0.796 38.8-122.7 -99.3 131.7 6.4 7.2 65.5 34 115 A L B -F 58 0D 22 52,-2.9 2,-0.3 -2,-0.4 24,-0.3 -0.417 23.2-116.1 -71.5 144.2 10.1 6.9 64.8 35 116 A V + 0 0 0 22,-3.0 20,-2.3 -2,-0.1 21,-0.4 -0.663 51.5 161.4 -77.9 137.2 12.5 9.2 66.6 36 117 A T + 0 0 2 -2,-0.3 2,-0.2 18,-0.3 18,-0.2 -0.757 24.2 178.2-141.3-173.3 14.2 11.4 63.9 37 118 A R + 0 0 20 16,-0.5 16,-2.2 -2,-0.2 324,-0.1 -0.875 61.2 53.8 179.3 169.7 16.2 14.6 63.2 38 119 A E S S+ 0 0 8 -2,-0.2 62,-0.1 14,-0.2 16,-0.1 0.931 74.3 175.7 56.1 53.1 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 -0.256 11.3 164.3 -82.7 171.1 14.6 16.2 58.0 40 121 A Y E -G 51 0E 0 11,-2.1 11,-2.5 108,-0.1 2,-0.3 -0.941 29.9-115.7-167.5-179.6 13.9 17.6 54.6 41 122 A V E +G 50 0E 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.968 27.9 175.6-131.5 147.7 11.4 17.4 51.7 42 123 A S E -G 49 0E 0 7,-1.9 7,-2.5 -2,-0.3 2,-0.3 -0.973 17.3-137.4-155.5 139.0 12.0 16.1 48.2 43 124 A b E -G 48 0E 1 286,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.722 5.9-162.4-104.6 147.8 9.7 15.5 45.1 44 125 A D - 0 0 23 3,-3.8 3,-0.4 -2,-0.3 288,-0.2 -0.658 48.7 -94.2-108.7 169.6 9.5 12.8 42.5 45 126 A P S S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.798 124.9 26.5 -59.0 -26.5 7.7 13.6 39.3 46 127 A D S S+ 0 0 138 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.441 127.4 25.8-117.3 0.8 4.5 12.2 40.7 47 128 A E - 0 0 70 -3,-0.4 -3,-3.8 2,-0.0 2,-0.4 -0.980 56.5-144.0-162.2 147.0 4.8 12.6 44.5 48 129 A b E -G 43 0E 17 -2,-0.3 34,-0.8 -5,-0.3 2,-0.3 -0.954 28.5-174.1-115.5 136.2 6.5 14.8 47.2 49 130 A R E -GH 42 81E 14 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.3 -0.870 26.6-112.7-130.7 163.7 7.6 13.1 50.4 50 131 A F E -GH 41 80E 0 30,-2.4 30,-2.1 -2,-0.3 2,-0.3 -0.687 34.0-168.6 -91.5 147.5 9.1 13.9 53.8 51 132 A Y E +GH 40 79E 0 -11,-2.5 -11,-2.1 -2,-0.3 2,-0.3 -0.933 15.1 145.9-134.3 153.4 12.6 12.6 54.5 52 133 A A E - H 0 78E 0 26,-1.6 26,-2.7 -2,-0.3 2,-0.8 -0.972 49.8 -92.5-174.8 170.2 14.8 12.3 57.7 53 134 A L E - H 0 77E 0 -16,-2.2 -16,-0.5 -2,-0.3 24,-0.2 -0.877 41.8-148.8-100.4 106.9 17.3 10.4 59.6 54 135 A S E - H 0 76E 7 22,-2.4 22,-0.8 -2,-0.8 -18,-0.3 -0.279 10.4-144.6 -67.0 160.7 15.6 7.9 61.9 55 136 A Q - 0 0 13 -20,-2.3 20,-0.2 2,-0.4 -19,-0.1 0.252 44.9-111.0-110.1 8.3 17.2 6.9 65.2 56 137 A G S S+ 0 0 45 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.871 87.8 75.5 65.4 42.2 16.0 3.4 64.9 57 138 A T S S- 0 0 15 -22,-0.3 -22,-3.0 7,-0.1 -2,-0.4 -0.949 80.5-103.7-169.4 158.4 13.5 3.5 67.8 58 139 A T B -F 34 0D 31 -24,-0.3 -24,-0.2 -2,-0.3 -26,-0.1 -0.495 33.5-116.2 -86.6 163.7 10.0 5.0 68.5 59 140 A I S S+ 0 0 3 -26,-2.1 5,-0.1 1,-0.2 -1,-0.1 0.904 118.0 43.9 -66.6 -42.9 9.7 8.1 70.7 60 141 A R S S+ 0 0 111 -32,-0.4 -1,-0.2 -29,-0.3 -28,-0.1 0.627 95.4 106.8 -76.0 -14.1 7.8 6.3 73.4 61 142 A G S > S- 0 0 16 1,-0.1 3,-1.8 2,-0.1 4,-0.2 -0.316 79.8-124.6 -67.2 149.7 10.3 3.4 73.2 62 143 A K G > S+ 0 0 197 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.789 109.7 66.8 -64.4 -26.6 12.8 2.9 75.9 63 144 A H G 3 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.459 78.6 83.5 -74.4 1.8 15.6 3.0 73.2 64 145 A S G X + 0 0 13 -3,-1.8 3,-1.8 -5,-0.1 2,-0.5 0.686 64.8 103.7 -74.9 -18.2 14.7 6.7 72.7 65 146 A N T < S+ 0 0 95 -3,-1.6 293,-0.2 1,-0.2 -3,-0.0 -0.514 86.9 19.9 -66.3 116.2 16.9 7.4 75.7 66 147 A G T > S+ 0 0 27 291,-2.5 3,-2.0 -2,-0.5 -1,-0.2 0.358 75.8 130.7 108.9 -6.6 20.1 8.8 74.2 67 148 A T T < + 0 0 8 -3,-1.8 291,-0.1 1,-0.3 -2,-0.1 0.308 51.1 90.1 -66.1 10.6 18.9 10.0 70.7 68 149 A I T 3 + 0 0 69 289,-0.3 -1,-0.3 -4,-0.1 2,-0.1 0.777 69.3 95.9 -74.7 -23.5 20.5 13.3 71.3 69 150 A H < - 0 0 130 -3,-2.0 3,-0.1 1,-0.1 290,-0.1 -0.428 67.7-150.8 -68.4 136.7 23.6 11.7 69.6 70 151 A D S S+ 0 0 73 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.784 73.0 44.5 -79.5 -32.9 24.0 12.3 65.9 71 152 A R + 0 0 89 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.955 63.5 134.8-126.8 118.7 25.9 9.2 64.6 72 153 A S > - 0 0 29 -2,-0.5 3,-0.9 -3,-0.1 44,-0.1 -0.903 62.7-105.1-148.2 170.6 25.1 5.5 65.5 73 154 A Q T 3 S+ 0 0 157 -2,-0.3 -17,-0.0 1,-0.2 -18,-0.0 0.483 113.1 65.6 -79.0 -2.3 24.7 2.2 63.7 74 155 A Y T 3 S+ 0 0 160 -19,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.339 78.5 98.5-104.6 7.6 20.9 2.5 64.1 75 156 A R < + 0 0 3 -3,-0.9 22,-1.0 -20,-0.2 2,-0.3 -0.591 43.3 167.6 -93.5 156.4 20.2 5.5 62.0 76 157 A A E -HI 54 96E 11 -22,-0.8 -22,-2.4 20,-0.2 2,-0.6 -0.973 41.0-104.8-161.4 152.5 18.9 5.4 58.4 77 158 A L E +HI 53 95E 0 18,-2.6 17,-3.3 -2,-0.3 18,-1.1 -0.772 47.1 178.3 -84.0 125.3 17.5 7.8 55.8 78 159 A I E -HI 52 93E 4 -26,-2.7 -26,-1.6 -2,-0.6 2,-0.3 -0.891 14.7-161.3-124.4 156.4 13.7 7.1 55.6 79 160 A S E +HI 51 92E 0 13,-2.2 13,-3.0 -2,-0.3 -28,-0.2 -0.949 12.4 172.9-133.8 157.0 11.0 8.8 53.6 80 161 A W E -H 50 0E 0 -30,-2.1 -30,-2.4 -2,-0.3 3,-0.1 -0.969 41.6 -59.9-156.6 165.3 7.2 8.7 54.1 81 162 A P E > -H 49 0E 46 0, 0.0 3,-2.2 0, 0.0 -32,-0.2 -0.181 68.8 -83.4 -56.5 141.1 4.1 10.4 52.7 82 163 A L T 3 S- 0 0 57 -34,-0.8 -33,-0.1 1,-0.3 -41,-0.0 -0.127 109.3 -0.9 -48.0 126.9 3.7 14.1 52.8 83 164 A S T 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 -34,-0.0 0.463 102.7 115.1 69.7 4.8 2.4 15.5 56.1 84 165 A S S < S- 0 0 45 -3,-2.2 -1,-0.3 1,-0.1 -60,-0.1 -0.568 73.8-107.1 -92.5 161.6 2.1 12.0 57.7 85 166 A P - 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