==== 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 07-APR-98 2QWF . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.N.VARGHESE . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 59.0 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 . 0 0.0 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 . 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 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 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 . 3 2 0 5 0 9 0 1 1 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 0 261 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -89.8 10.8 9.6 31.2 2 83 A D - 0 0 134 104,-0.2 2,-0.1 1,-0.0 153,-0.1 -0.792 360.0 -88.2-115.8 160.7 13.5 12.1 30.3 3 84 A F - 0 0 22 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.441 49.0-112.3 -65.9 138.4 16.0 13.8 32.6 4 85 A N - 0 0 30 101,-2.7 150,-2.3 -2,-0.1 151,-0.5 -0.537 28.8-155.5 -73.5 142.3 14.6 17.0 34.1 5 86 A N - 0 0 61 148,-0.2 2,-2.3 -2,-0.2 3,-0.3 -0.955 22.5-122.4-121.3 135.4 16.2 20.3 33.0 6 87 A L + 0 0 2 -2,-0.4 199,-2.3 1,-0.2 200,-0.1 -0.511 56.8 145.3 -74.2 76.7 16.2 23.4 35.1 7 88 A T + 0 0 93 -2,-2.3 -1,-0.2 197,-0.2 2,-0.2 0.657 45.4 74.5 -92.4 -17.3 14.5 25.5 32.4 8 89 A K - 0 0 46 -3,-0.3 196,-2.5 194,-0.1 2,-0.2 -0.549 68.0-136.7 -98.1 161.6 12.4 27.8 34.6 9 90 A G E -a 337 0A 6 327,-0.5 329,-2.3 194,-0.2 2,-0.1 -0.569 44.0 -77.9-100.9 173.2 13.2 30.7 36.8 10 91 A L E -a 338 0A 19 327,-0.2 329,-0.2 -2,-0.2 -1,-0.1 -0.394 43.7-114.2 -74.0 151.6 11.7 31.2 40.3 11 92 A a - 0 0 15 327,-2.2 2,-0.4 1,-0.1 329,-0.2 -0.375 45.7 -87.6 -75.5 160.3 8.1 32.4 40.8 12 93 A T - 0 0 78 -2,-0.1 2,-0.9 1,-0.1 3,-0.2 -0.610 40.2-141.5 -72.5 126.5 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 -0.808 38.8 154.5 -95.1 102.2 7.7 35.3 46.3 14 95 A N S S- 0 0 24 355,-2.6 2,-0.3 -2,-0.9 356,-0.2 0.599 73.5 -25.1 -99.5 -15.8 5.2 37.8 47.8 15 96 A S E -B 369 0B 2 354,-1.2 354,-2.6 -3,-0.2 2,-0.4 -0.939 67.5 -99.7-174.2-176.8 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 -0.977 25.8-159.9-126.4 133.8 4.6 31.9 52.0 17 98 A H E -B 367 0B 45 350,-3.1 350,-1.8 -2,-0.4 2,-0.1 -0.807 35.3 -91.6-109.2 157.7 1.7 29.6 52.3 18 99 A I E +B 366 0B 68 -2,-0.3 348,-0.2 348,-0.2 3,-0.1 -0.431 45.8 168.3 -68.6 132.4 1.5 26.4 54.4 19 100 A Y E - 0 0 62 346,-2.7 2,-0.3 1,-0.4 347,-0.2 0.741 58.3 -11.0-111.6 -53.1 2.6 23.3 52.4 20 101 A G E +B 365 0B 3 345,-1.7 345,-2.4 63,-0.0 -1,-0.4 -0.993 48.9 173.3-154.3 152.5 3.0 20.4 54.9 21 102 A K E -B 364 0B 31 -2,-0.3 343,-0.2 343,-0.2 359,-0.0 -0.854 9.2-170.0-159.6 127.0 3.2 19.7 58.6 22 103 A D - 0 0 2 341,-1.4 5,-0.2 -2,-0.3 342,-0.1 0.579 19.2-148.6-100.7 -11.0 3.3 16.3 60.3 23 104 A N > + 0 0 52 340,-0.6 4,-2.4 1,-0.1 5,-0.3 0.815 35.6 164.6 47.1 37.7 2.8 17.0 64.0 24 105 A A H > + 0 0 2 1,-0.2 4,-2.9 2,-0.2 338,-0.1 0.828 64.9 46.9 -54.7 -46.5 5.0 14.0 64.6 25 106 A V H > S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.916 113.1 49.4 -66.8 -43.9 5.8 14.6 68.3 26 107 A R H >4 S+ 0 0 140 354,-0.3 3,-1.1 2,-0.2 4,-0.3 0.971 118.7 39.0 -56.1 -58.2 2.2 15.3 69.3 27 108 A I H >< S+ 0 0 79 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.906 110.4 60.1 -60.1 -43.1 1.0 12.1 67.5 28 109 A G H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.3 32,-0.3 0.529 81.5 82.1 -65.2 -12.2 3.9 10.0 68.6 29 110 A E T << S+ 0 0 61 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.787 114.7 16.1 -62.5 -24.6 3.1 10.5 72.2 30 111 A D T < S+ 0 0 136 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 -0.204 122.8 54.3-143.8 43.9 0.6 7.7 71.7 31 112 A S S < S- 0 0 44 -3,-0.8 2,-2.0 2,-0.1 29,-0.3 -0.958 94.4 -79.4-166.6 165.5 1.5 5.9 68.4 32 113 A D + 0 0 72 -2,-0.3 56,-2.6 26,-0.1 2,-0.4 -0.399 62.2 156.7 -78.6 69.0 4.5 4.1 66.8 33 114 A V B -E 87 0C 1 -2,-2.0 26,-2.1 -5,-0.3 54,-0.3 -0.761 39.1-125.2 -98.5 127.7 6.4 7.1 65.5 34 115 A L B -F 58 0D 22 52,-2.8 2,-0.4 -2,-0.4 24,-0.3 -0.396 23.8-114.8 -69.3 146.9 10.2 6.8 64.9 35 116 A V + 0 0 0 22,-2.7 20,-2.5 325,-0.1 21,-0.4 -0.716 50.9 164.1 -80.5 133.3 12.6 9.2 66.6 36 117 A T + 0 0 2 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.733 23.2 177.3-137.4-175.5 14.2 11.4 63.9 37 118 A R + 0 0 24 16,-0.5 16,-2.2 -2,-0.2 324,-0.1 -0.865 61.5 52.3-177.9 169.5 16.3 14.5 63.2 38 119 A E S S+ 0 0 7 -2,-0.2 62,-0.1 14,-0.2 -1,-0.1 0.949 74.4 175.5 55.3 53.9 17.9 16.2 60.2 39 120 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.271 10.8 163.6 -83.7 170.9 14.6 16.1 58.1 40 121 A Y E -G 51 0E 0 11,-2.3 11,-2.6 108,-0.1 2,-0.3 -0.937 30.0-114.6-166.8-178.2 14.0 17.5 54.6 41 122 A V E +G 50 0E 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.965 27.5 176.4-131.8 148.0 11.5 17.3 51.8 42 123 A S E -G 49 0E 0 7,-2.2 7,-2.4 -2,-0.3 2,-0.3 -0.972 16.5-138.4-154.9 138.6 12.0 16.0 48.2 43 124 A b E -G 48 0E 1 286,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.770 6.6-164.4-105.0 146.1 9.8 15.4 45.2 44 125 A D - 0 0 24 3,-3.5 3,-0.4 -2,-0.3 288,-0.2 -0.608 49.3 -93.9-104.7 170.5 9.6 12.7 42.6 45 126 A P S S+ 0 0 54 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.775 124.5 28.4 -61.4 -23.2 7.7 13.5 39.3 46 127 A D S S+ 0 0 135 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.400 126.6 24.4-119.0 2.6 4.5 12.0 40.8 47 128 A E - 0 0 69 -3,-0.4 -3,-3.5 2,-0.0 2,-0.4 -0.975 56.8-143.2-163.8 148.7 4.8 12.5 44.5 48 129 A b E -G 43 0E 18 -2,-0.3 34,-1.0 -5,-0.3 2,-0.3 -0.953 29.3-173.3-116.7 139.0 6.5 14.7 47.2 49 130 A R E -GH 42 81E 14 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.3 -0.911 26.2-114.9-135.2 159.4 7.7 13.2 50.4 50 131 A F E -GH 41 80E 0 30,-2.3 30,-2.2 -2,-0.3 2,-0.3 -0.658 34.0-169.5 -89.8 145.4 9.1 13.9 53.9 51 132 A Y E +GH 40 79E 0 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.3 -0.945 14.2 147.2-134.8 153.7 12.6 12.6 54.6 52 133 A A E - H 0 78E 0 26,-1.8 26,-2.8 -2,-0.3 2,-0.8 -0.974 49.1 -90.8-175.0 169.9 14.8 12.3 57.8 53 134 A L E - H 0 77E 0 -16,-2.2 -16,-0.5 -2,-0.3 24,-0.2 -0.859 42.6-147.7 -98.3 105.6 17.4 10.3 59.7 54 135 A S E - H 0 76E 7 22,-2.6 22,-0.9 -2,-0.8 -18,-0.2 -0.346 9.8-145.9 -66.3 156.8 15.7 7.8 61.9 55 136 A Q - 0 0 16 -20,-2.5 20,-0.1 2,-0.4 -19,-0.1 0.296 43.5-112.2-106.0 6.1 17.2 6.9 65.2 56 137 A G S S+ 0 0 46 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.861 87.9 74.9 66.7 40.7 16.0 3.2 65.0 57 138 A T S S- 0 0 16 -22,-0.3 -22,-2.7 7,-0.1 -2,-0.4 -0.956 80.9-105.3-170.1 155.8 13.5 3.5 67.9 58 139 A T B -F 34 0D 30 -2,-0.3 -24,-0.3 -24,-0.3 6,-0.1 -0.533 33.4-115.3 -84.0 164.1 10.1 5.0 68.6 59 140 A I S S+ 0 0 3 -26,-2.1 5,-0.1 1,-0.2 -25,-0.1 0.888 117.4 42.8 -67.3 -43.5 9.7 8.1 70.8 60 141 A R S S+ 0 0 107 -32,-0.3 -1,-0.2 -29,-0.3 -28,-0.1 0.622 95.9 102.8 -75.1 -19.6 7.8 6.3 73.5 61 142 A G S > S- 0 0 20 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 -0.325 83.2-119.4 -64.6 153.9 10.2 3.3 73.3 62 143 A K G > S+ 0 0 196 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.783 110.1 67.6 -64.7 -25.9 12.9 2.8 75.9 63 144 A H G 3 S+ 0 0 156 1,-0.3 -1,-0.3 3,-0.1 -4,-0.1 0.460 76.9 84.8 -74.4 -0.3 15.6 3.0 73.3 64 145 A S G X + 0 0 12 -3,-1.7 3,-1.9 -6,-0.1 2,-0.4 0.708 65.7 104.6 -72.0 -17.2 14.7 6.7 72.8 65 146 A N T < S+ 0 0 92 -3,-1.5 293,-0.2 1,-0.3 -3,-0.0 -0.497 86.1 17.7 -67.2 118.5 17.0 7.3 75.7 66 147 A G T > S+ 0 0 26 291,-2.5 3,-2.1 -2,-0.4 -1,-0.3 0.341 77.5 132.8 101.9 -2.1 20.2 8.8 74.3 67 148 A T T < + 0 0 8 -3,-1.9 291,-0.1 290,-0.3 -2,-0.1 0.320 51.6 87.9 -64.6 4.4 18.9 9.9 70.8 68 149 A I T 3 S+ 0 0 67 289,-0.3 -1,-0.3 -4,-0.1 290,-0.1 0.813 70.5 98.6 -69.5 -27.6 20.6 13.3 71.3 69 150 A H < - 0 0 132 -3,-2.1 3,-0.1 1,-0.1 290,-0.1 -0.301 67.7-148.7 -63.0 141.1 23.6 11.6 69.8 70 151 A D S S+ 0 0 74 1,-0.2 2,-0.5 -2,-0.0 -1,-0.1 0.816 71.7 39.0 -79.9 -37.5 24.3 12.1 66.1 71 152 A R + 0 0 92 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.959 62.2 135.5-130.1 119.5 25.9 9.0 64.7 72 153 A S > - 0 0 28 -2,-0.5 3,-1.1 -3,-0.1 44,-0.1 -0.941 62.1-104.3-148.5 171.0 25.1 5.4 65.5 73 154 A Q T 3 S+ 0 0 155 -2,-0.3 -17,-0.0 1,-0.2 24,-0.0 0.545 112.2 68.5 -77.8 -3.6 24.7 2.2 63.7 74 155 A Y T 3 S+ 0 0 158 -19,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.401 78.6 98.4 -98.3 4.4 20.9 2.4 64.2 75 156 A R < + 0 0 3 -3,-1.1 22,-0.9 -20,-0.1 2,-0.3 -0.551 43.3 166.7 -92.4 155.8 20.3 5.4 62.0 76 157 A A E -HI 54 96E 12 -22,-0.9 -22,-2.6 20,-0.3 2,-0.5 -0.968 41.2-104.1-161.6 151.8 19.0 5.3 58.4 77 158 A L E -HI 53 95E 0 18,-2.6 17,-3.0 -2,-0.3 18,-1.1 -0.774 47.0-180.0 -81.0 126.3 17.5 7.7 55.8 78 159 A I E -HI 52 93E 4 -26,-2.8 -26,-1.8 -2,-0.5 2,-0.3 -0.895 14.8-161.5-126.2 154.0 13.8 7.2 55.7 79 160 A S E +HI 51 92E 0 13,-2.3 13,-3.0 -2,-0.3 -28,-0.2 -0.956 12.2 173.3-130.8 155.2 11.0 8.8 53.6 80 161 A W E -H 50 0E 0 -30,-2.2 -30,-2.3 -2,-0.3 3,-0.1 -0.968 42.5 -61.9-156.8 165.1 7.3 8.8 54.2 81 162 A P E > -H 49 0E 46 0, 0.0 3,-2.3 0, 0.0 -32,-0.2 -0.215 69.0 -84.3 -60.3 143.2 4.1 10.4 52.7 82 163 A L T 3 S+ 0 0 56 -34,-1.0 -33,-0.1 1,-0.3 -41,-0.0 -0.119 109.8 0.4 -46.8 128.1 3.8 14.2 52.8 83 164 A S T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -3,-0.1 -34,-0.0 0.388 102.0 114.1 70.7 -3.6 2.5 15.4 56.1 84 165 A S S < S- 0 0 47 -3,-2.3 -1,-0.3 1,-0.1 -60,-0.1 -0.508 74.1-106.8 -81.5 163.3 2.1 12.0 57.7 85 166 A P - 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