==== 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 2QWK . 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) . 14764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 58.0 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 . 124 32.0 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 . 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 . 8 2.1 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 . 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 . 3 2 0 5 1 8 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 . 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 0 264 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -87.8 10.8 9.6 31.1 2 83 A D - 0 0 133 104,-0.2 2,-0.1 1,-0.0 153,-0.1 -0.794 360.0 -86.2-118.8 159.0 13.6 12.2 30.2 3 84 A F - 0 0 21 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.423 48.3-115.4 -64.7 138.7 16.0 13.9 32.5 4 85 A N - 0 0 30 101,-2.5 150,-2.0 -2,-0.1 151,-0.5 -0.585 29.0-156.2 -74.0 144.2 14.5 17.0 34.0 5 86 A N - 0 0 60 148,-0.2 2,-2.1 -2,-0.2 3,-0.2 -0.961 23.6-119.0-123.4 137.2 16.3 20.2 33.0 6 87 A L + 0 0 2 -2,-0.4 199,-2.0 1,-0.2 197,-0.1 -0.548 56.6 147.6 -74.6 81.8 16.2 23.4 35.1 7 88 A T + 0 0 93 -2,-2.1 2,-0.2 197,-0.2 -1,-0.2 0.622 44.9 71.1 -95.4 -17.2 14.5 25.5 32.4 8 89 A K - 0 0 41 -3,-0.2 196,-2.5 194,-0.1 2,-0.2 -0.632 68.8-133.9-103.0 162.8 12.4 27.8 34.5 9 90 A G - 0 0 6 327,-0.5 329,-2.0 194,-0.2 -2,-0.1 -0.547 46.3 -76.1 -99.8 170.9 13.3 30.8 36.7 10 91 A L B -a 338 0A 18 327,-0.2 329,-0.2 -2,-0.2 -1,-0.1 -0.287 44.0-113.3 -69.1 151.5 11.7 31.2 40.2 11 92 A a - 0 0 16 327,-2.6 2,-0.4 1,-0.1 329,-0.2 -0.477 46.7 -89.2 -76.4 159.5 8.2 32.4 40.7 12 93 A T - 0 0 78 -2,-0.1 2,-0.9 1,-0.1 3,-0.2 -0.583 39.6-139.5 -70.3 127.2 7.9 35.8 42.4 13 94 A I + 0 0 0 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.812 40.2 153.7 -95.3 104.0 7.8 35.3 46.2 14 95 A N S S- 0 0 25 355,-2.7 2,-0.3 -2,-0.9 356,-0.2 0.558 73.5 -26.5-100.8 -15.1 5.2 37.7 47.6 15 96 A S E -B 369 0B 2 354,-1.2 354,-2.6 -3,-0.2 2,-0.4 -0.939 67.0-100.1-177.0-178.1 4.5 35.5 50.7 16 97 A W E -B 368 0B 3 352,-0.3 2,-0.3 -2,-0.3 352,-0.2 -0.990 24.9-160.0-127.1 132.2 4.6 31.9 51.9 17 98 A H E -B 367 0B 46 350,-2.8 350,-1.9 -2,-0.4 2,-0.2 -0.751 35.8 -91.8-107.0 156.7 1.6 29.5 52.1 18 99 A I E +B 366 0B 67 -2,-0.3 348,-0.2 348,-0.2 3,-0.1 -0.454 45.2 169.4 -67.8 132.8 1.5 26.3 54.3 19 100 A Y E - 0 0 62 346,-2.8 2,-0.3 1,-0.4 347,-0.2 0.752 58.5 -12.0-111.5 -55.9 2.6 23.2 52.3 20 101 A G E +B 365 0B 3 345,-1.7 345,-2.6 63,-0.0 -1,-0.4 -0.994 48.3 173.7-151.8 154.7 3.0 20.4 54.8 21 102 A K E -B 364 0B 30 -2,-0.3 343,-0.2 343,-0.2 359,-0.0 -0.894 9.3-169.3-158.9 128.2 3.2 19.7 58.5 22 103 A D - 0 0 2 341,-1.6 5,-0.2 -2,-0.3 342,-0.1 0.607 19.6-147.8-101.7 -10.8 3.3 16.2 60.1 23 104 A N > + 0 0 52 340,-0.5 4,-2.3 1,-0.1 5,-0.3 0.872 36.0 165.2 46.1 42.6 2.8 17.0 63.8 24 105 A A H > + 0 0 2 1,-0.2 4,-2.9 2,-0.2 338,-0.1 0.860 64.6 46.0 -59.0 -46.3 5.0 14.0 64.5 25 106 A V H > S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.911 113.3 50.9 -67.5 -40.1 5.9 14.5 68.1 26 107 A R H >4 S+ 0 0 141 354,-0.3 3,-1.1 2,-0.2 4,-0.2 0.974 118.4 37.0 -58.5 -58.2 2.2 15.3 69.0 27 108 A I H >< S+ 0 0 75 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.913 110.4 62.0 -61.7 -42.6 0.9 12.1 67.3 28 109 A G H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.3 32,-0.3 0.540 81.1 81.9 -63.7 -11.2 3.9 10.0 68.4 29 110 A E T << S+ 0 0 62 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.765 113.9 16.3 -64.2 -25.8 3.1 10.5 72.0 30 111 A D T < S+ 0 0 135 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.203 122.9 54.1-142.4 45.2 0.6 7.7 71.5 31 112 A S S < S- 0 0 45 -3,-0.8 2,-2.1 2,-0.1 29,-0.3 -0.971 94.6 -77.9-168.4 163.3 1.5 5.9 68.3 32 113 A D + 0 0 69 -2,-0.3 56,-2.7 26,-0.1 2,-0.4 -0.351 62.8 155.1 -75.9 69.2 4.4 4.2 66.6 33 114 A V B -E 87 0C 1 -2,-2.1 26,-2.1 -5,-0.3 54,-0.3 -0.747 39.6-125.5 -99.0 130.3 6.4 7.1 65.4 34 115 A L B -F 58 0D 22 52,-3.1 2,-0.4 -2,-0.4 24,-0.3 -0.395 23.7-115.6 -70.5 146.5 10.2 6.9 64.8 35 116 A V + 0 0 0 22,-2.7 20,-2.4 -2,-0.1 21,-0.3 -0.718 50.7 164.3 -79.2 134.7 12.5 9.3 66.5 36 117 A T + 0 0 2 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.722 24.7 178.0-139.6-174.8 14.3 11.4 63.9 37 118 A R + 0 0 27 16,-0.5 16,-2.5 -2,-0.2 324,-0.1 -0.867 62.1 53.6-177.3 169.9 16.3 14.6 63.1 38 119 A E S S+ 0 0 7 -2,-0.2 62,-0.1 14,-0.2 16,-0.1 0.929 74.1 174.6 56.5 51.0 17.9 16.1 60.0 39 120 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.274 9.9 162.7 -81.5 171.5 14.6 16.1 58.0 40 121 A Y E -G 51 0E 0 11,-2.3 11,-2.4 108,-0.1 2,-0.3 -0.930 30.8-114.8-168.0-177.8 13.9 17.5 54.5 41 122 A V E +G 50 0E 0 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.982 28.6 173.7-134.5 144.0 11.5 17.3 51.7 42 123 A S E -G 49 0E 0 7,-2.2 7,-2.3 -2,-0.3 2,-0.3 -0.972 16.9-139.3-154.0 140.5 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 -0.755 5.5-161.2-106.9 150.9 9.8 15.4 45.1 44 125 A D - 0 0 24 3,-3.7 3,-0.4 -2,-0.3 288,-0.2 -0.615 49.5 -92.4-109.5 170.6 9.6 12.7 42.4 45 126 A P S S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.777 125.4 27.1 -59.0 -24.5 7.7 13.5 39.2 46 127 A D S S+ 0 0 137 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.417 126.0 26.4-119.8 1.7 4.5 12.1 40.6 47 128 A E - 0 0 71 -3,-0.4 -3,-3.7 2,-0.0 2,-0.4 -0.981 56.4-143.9-162.1 148.1 4.8 12.5 44.4 48 129 A b E -G 43 0E 18 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.967 28.9-175.9-116.8 136.5 6.5 14.7 47.1 49 130 A R E -GH 42 81E 15 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.3 -0.916 26.9-114.1-134.8 160.1 7.6 13.1 50.3 50 131 A F E -GH 41 80E 0 30,-2.2 30,-2.3 -2,-0.3 2,-0.3 -0.647 33.1-168.7 -90.8 147.6 9.2 13.9 53.7 51 132 A Y E +GH 40 79E 0 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.3 -0.942 14.0 148.7-134.2 155.8 12.6 12.5 54.5 52 133 A A E - H 0 78E 0 26,-1.7 26,-2.5 -2,-0.3 2,-0.8 -0.976 48.7 -91.7-176.6 168.6 14.8 12.2 57.7 53 134 A L E - H 0 77E 0 -16,-2.5 -16,-0.5 -2,-0.3 24,-0.2 -0.861 42.6-149.7 -99.0 106.1 17.4 10.3 59.6 54 135 A S E - H 0 76E 7 22,-2.2 22,-0.9 -2,-0.8 -18,-0.2 -0.365 11.1-143.8 -68.8 156.3 15.6 7.8 61.8 55 136 A Q - 0 0 15 -20,-2.4 20,-0.1 2,-0.4 -19,-0.1 0.259 44.2-110.9-103.8 7.5 17.2 6.8 65.1 56 137 A G S S+ 0 0 46 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.882 89.1 75.5 66.1 40.5 16.0 3.2 64.8 57 138 A T S S- 0 0 15 -22,-0.3 -22,-2.7 7,-0.1 -2,-0.4 -0.950 81.0-105.0-169.5 157.2 13.5 3.5 67.7 58 139 A T B -F 34 0D 30 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.544 34.1-116.0 -84.4 162.4 10.0 4.9 68.4 59 140 A I S S+ 0 0 2 -26,-2.1 -25,-0.1 1,-0.2 -1,-0.1 0.838 117.4 42.4 -67.6 -38.5 9.7 8.1 70.6 60 141 A R S S+ 0 0 107 -32,-0.3 -1,-0.2 -29,-0.3 2,-0.1 0.571 95.3 103.1 -81.9 -16.0 7.9 6.3 73.4 61 142 A G S > S- 0 0 19 -3,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.382 83.5-119.9 -67.3 150.2 10.2 3.2 73.1 62 143 A K G > S+ 0 0 189 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.761 110.5 68.2 -62.4 -24.2 12.8 2.8 75.8 63 144 A H G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.1 -4,-0.1 0.480 77.1 83.5 -75.2 -0.7 15.6 3.0 73.1 64 145 A S G X + 0 0 12 -3,-1.8 3,-1.9 -6,-0.1 2,-0.5 0.723 66.4 104.3 -71.6 -19.3 14.6 6.7 72.6 65 146 A N T < S+ 0 0 93 -3,-1.6 293,-0.2 1,-0.3 -3,-0.0 -0.491 86.9 17.2 -65.6 115.7 16.9 7.3 75.6 66 147 A G T > S+ 0 0 26 291,-2.6 3,-2.1 -2,-0.5 -1,-0.3 0.375 76.5 133.5 105.7 -1.9 20.0 8.8 74.1 67 148 A T T < + 0 0 8 -3,-1.9 291,-0.1 1,-0.3 -2,-0.1 0.295 51.5 88.0 -66.2 5.9 18.9 9.9 70.7 68 149 A I T 3 S+ 0 0 66 289,-0.3 -1,-0.3 290,-0.0 2,-0.1 0.743 71.1 98.3 -71.5 -24.2 20.6 13.3 71.1 69 150 A H < - 0 0 130 -3,-2.1 3,-0.1 1,-0.1 290,-0.1 -0.409 66.4-151.1 -66.7 140.5 23.6 11.4 69.7 70 151 A D S S+ 0 0 72 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.842 70.3 40.9 -80.1 -42.5 24.3 11.9 66.0 71 152 A R + 0 0 97 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.883 63.5 136.8-124.5 104.2 26.0 8.9 64.5 72 153 A S > - 0 0 29 -2,-0.5 3,-1.0 -3,-0.1 44,-0.1 -0.851 62.0-107.6-133.7 172.5 25.1 5.3 65.4 73 154 A Q T 3 S+ 0 0 154 -2,-0.3 -17,-0.0 1,-0.2 -18,-0.0 0.479 110.9 69.1 -80.2 1.2 24.6 2.1 63.5 74 155 A Y T 3 S+ 0 0 159 -19,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.407 78.0 99.0-101.2 4.3 20.9 2.3 64.1 75 156 A R < + 0 0 3 -3,-1.0 22,-1.0 -20,-0.1 2,-0.3 -0.543 43.4 168.2 -91.8 158.1 20.2 5.3 61.9 76 157 A A E -HI 54 96E 10 -22,-0.9 -22,-2.2 20,-0.3 2,-0.5 -0.981 40.4-105.2-163.1 150.0 18.9 5.3 58.3 77 158 A L E +HI 53 95E 0 18,-2.7 17,-3.1 -2,-0.3 18,-1.1 -0.755 47.4 178.1 -81.2 127.9 17.5 7.7 55.7 78 159 A I E -HI 52 93E 4 -26,-2.5 -26,-1.7 -2,-0.5 2,-0.3 -0.918 15.5-162.6-128.5 153.6 13.8 7.1 55.5 79 160 A S E +HI 51 92E 0 13,-2.5 13,-3.4 -2,-0.3 -28,-0.2 -0.951 11.5 173.6-131.9 157.0 11.0 8.7 53.5 80 161 A W E -H 50 0E 1 -30,-2.3 -30,-2.2 -2,-0.3 3,-0.1 -0.969 43.0 -61.4-158.7 164.5 7.2 8.7 54.0 81 162 A P E > -H 49 0E 46 0, 0.0 3,-2.4 0, 0.0 -32,-0.2 -0.185 69.4 -83.9 -59.7 143.5 4.1 10.3 52.5 82 163 A L T 3 S+ 0 0 55 -34,-0.9 -33,-0.1 1,-0.3 -41,-0.0 -0.111 110.1 1.8 -49.4 127.9 3.8 14.1 52.7 83 164 A S T 3 S+ 0 0 45 1,-0.3 -1,-0.3 -3,-0.1 -34,-0.0 0.440 101.9 114.6 73.0 -0.5 2.5 15.4 56.0 84 165 A S S < S- 0 0 46 -3,-2.4 -1,-0.3 1,-0.1 -60,-0.1 -0.484 73.3-107.3 -85.1 163.0 2.2 11.9 57.6 85 166 A P - 0 0 19 0, 0.0 2,-1.4 0, 0.0 5,-0.1 -0.633 34.8 -98.8 -85.9 158.0 4.4 11.2 60.5 86 167 A P + 0 0 0 0, 0.0 -52,-3.1 0, 0.0 2,-0.2 -0.674 58.0 176.1 -71.0 91.6 7.5 8.9 60.2 87 168 A T B > -E 33 0C 25 -2,-1.4 4,-1.2 -54,-0.3 3,-0.4 -0.603 45.5-113.7 -97.0 162.1 5.9 5.7 61.6 88 169 A V T 4 S+ 0 0 68 -56,-2.7 -55,-0.1 1,-0.2 -1,-0.1 0.856 116.6 45.1 -60.8 -31.6 7.4 2.3 61.9 89 69AA Y T 4 S+ 0 0 176 -57,-0.3 -1,-0.2 1,-0.2 -56,-0.1 0.627 118.2 35.3 -90.3 -20.3 4.7 1.1 59.4 90 170 A N T 4 S+ 0 0 49 -3,-0.4 2,-0.4 -5,-0.1 -2,-0.2 0.387 89.7 107.4-113.6 -0.5 4.7 3.8 56.6 91 171 A S < - 0 0 23 -4,-1.2 2,-0.5 -11,-0.1 -11,-0.2 -0.681 53.9-154.3 -85.8 133.6 8.4 4.7 56.6 92 172 A R E -I 79 0E 85 -13,-3.4 -13,-2.5 -2,-0.4 2,-0.5 -0.899 13.2-134.7-106.8 125.7 10.5 3.6 53.6 93 173 A V E -I 78 0E 72 -2,-0.5 -15,-0.3 -15,-0.2 3,-0.1 -0.706 20.7-178.4 -81.2 126.6 14.3 3.1 54.2 94 174 A E E - 0 0 10 -17,-3.1 2,-0.3 -2,-0.5 -16,-0.2 0.768 66.4 -34.2 -90.4 -35.4 16.3 4.7 51.3 95 175 A c E -I 77 0E 4 -18,-1.1 -18,-2.7 17,-0.1 2,-0.4 -0.946 65.1 -90.3-176.4 168.5 19.7 3.6 52.8 96 176 A I E +I 76 0E 105 -2,-0.3 2,-0.3 -20,-0.3 -20,-0.3 -0.804 68.6 80.4 -99.5 129.8 21.7 3.1 56.0 97 177 A G S S- 0 0 2 -22,-1.0 18,-0.3 -2,-0.4 -2,-0.1 -0.936 71.0-102.3 160.1 176.5 23.7 5.9 57.6 98 178 A W S S+ 0 0 15 16,-2.5 2,-0.3 -2,-0.3 17,-0.1 0.193 100.3 38.0-117.8 14.4 23.9 9.1 59.7 99 179 A S E S+J 114 0F 2 15,-0.6 15,-2.3 45,-0.1 2,-0.3 -0.921 72.8 159.1-160.8 138.4 24.2 11.8 57.0 100 180 A S E -J 113 0F 0 -2,-0.3 47,-2.6 13,-0.2 48,-0.4 -0.961 26.3-164.5-157.5 174.2 22.4 11.8 53.7 101 181 A T E -J 112 0F 0 11,-1.4 11,-2.9 -2,-0.3 2,-0.3 -0.931 14.7-174.9-156.2 164.5 21.1 13.6 50.6 102 182 A S E +J 111 0F 0 46,-0.5 48,-1.2 -2,-0.3 2,-0.3 -0.956 6.9 166.2-167.4 143.3 18.6 12.6 47.9 103 183 A d E -J 110 0F 3 7,-2.5 7,-2.9 -2,-0.3 2,-0.4 -0.970 29.9-126.2-162.1 148.8 17.2 13.8 44.6 104 184 A H E -J 109 0F 23 -61,-0.5 48,-0.3 -2,-0.3 5,-0.3 -0.823 11.9-161.2 -96.3 135.6 15.2 12.7 41.6 105 185 A D - 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