==== 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 2QWH . 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) . 14904.0 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 . 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 . 25 6.4 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 . 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 0 263 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -91.4 10.8 9.6 31.1 2 83 A D - 0 0 133 104,-0.2 2,-0.1 1,-0.1 153,-0.1 -0.773 360.0 -88.0-116.1 158.2 13.4 12.1 30.2 3 84 A F - 0 0 21 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.421 48.9-112.3 -64.2 138.4 15.9 13.8 32.5 4 85 A N - 0 0 29 101,-2.3 150,-2.3 -2,-0.1 151,-0.5 -0.530 28.7-156.6 -74.3 143.0 14.6 17.0 34.0 5 86 A N - 0 0 62 148,-0.2 2,-2.1 -2,-0.2 3,-0.2 -0.965 23.0-122.3-122.0 134.2 16.2 20.2 32.9 6 87 A L + 0 0 2 -2,-0.4 199,-2.3 1,-0.2 200,-0.1 -0.549 55.8 146.4 -74.2 80.6 16.1 23.4 35.1 7 88 A T + 0 0 93 -2,-2.1 -1,-0.2 197,-0.2 2,-0.2 0.605 45.2 74.0 -95.6 -15.9 14.5 25.5 32.4 8 89 A K - 0 0 44 -3,-0.2 196,-2.5 194,-0.1 2,-0.2 -0.569 68.0-136.3-101.1 161.7 12.4 27.8 34.6 9 90 A G E -a 337 0A 5 327,-0.5 329,-2.0 194,-0.2 -2,-0.1 -0.651 45.0 -76.5-102.2 171.1 13.2 30.7 36.8 10 91 A L E -a 338 0A 18 -2,-0.2 329,-0.2 327,-0.2 -1,-0.1 -0.258 43.7-114.9 -68.2 150.9 11.7 31.1 40.3 11 92 A a - 0 0 15 327,-2.6 2,-0.4 1,-0.1 329,-0.2 -0.459 46.6 -88.3 -76.4 160.7 8.1 32.4 40.7 12 93 A T - 0 0 76 -2,-0.1 2,-0.9 1,-0.1 3,-0.2 -0.592 39.7-140.5 -72.1 129.7 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 -0.823 38.6 155.4 -98.2 101.3 7.7 35.2 46.2 14 95 A N S S- 0 0 24 355,-2.7 2,-0.3 -2,-0.9 356,-0.2 0.589 73.7 -25.5 -97.9 -15.7 5.2 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 -0.938 68.6 -99.5-175.1-177.8 4.6 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 -0.974 25.8-159.1-125.0 135.1 4.6 31.9 51.9 17 98 A H E -B 367 0B 43 350,-3.1 350,-1.9 -2,-0.4 2,-0.1 -0.804 35.3 -91.4-109.1 156.9 1.7 29.5 52.2 18 99 A I E +B 366 0B 68 -2,-0.3 348,-0.2 348,-0.2 3,-0.1 -0.422 46.0 168.1 -68.5 130.0 1.5 26.3 54.3 19 100 A Y E - 0 0 62 346,-2.7 2,-0.3 1,-0.4 347,-0.2 0.735 58.6 -11.5-109.2 -56.0 2.6 23.2 52.3 20 101 A G E +B 365 0B 3 345,-2.0 345,-2.5 63,-0.0 -1,-0.4 -0.996 49.1 173.0-151.6 152.2 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 -0.884 8.8-170.3-156.9 129.0 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 0.560 19.4-148.2-102.5 -10.5 3.3 16.3 60.2 23 104 A N > + 0 0 50 340,-0.5 4,-2.4 1,-0.1 5,-0.3 0.838 35.6 164.9 46.2 39.6 2.8 17.0 63.9 24 105 A A H > + 0 0 2 1,-0.2 4,-2.5 2,-0.2 338,-0.1 0.831 65.5 46.5 -56.3 -44.0 5.0 13.9 64.5 25 106 A V H > S+ 0 0 1 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.906 113.0 49.9 -69.3 -39.7 5.8 14.5 68.2 26 107 A R H >4 S+ 0 0 139 354,-0.3 3,-1.4 1,-0.2 4,-0.3 0.988 118.8 37.7 -59.4 -59.6 2.2 15.3 69.1 27 108 A I H >< S+ 0 0 78 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.874 110.1 61.8 -60.1 -39.5 0.9 12.1 67.4 28 109 A G H >< S+ 0 0 0 -4,-2.5 3,-0.8 -5,-0.3 5,-0.3 0.553 80.8 82.4 -67.3 -11.4 3.9 10.0 68.4 29 110 A E T << S+ 0 0 63 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.775 113.5 16.6 -62.4 -24.0 3.0 10.5 72.1 30 111 A D T < S+ 0 0 132 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 -0.162 122.3 52.3-144.3 44.5 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 -0.966 94.6 -76.5-169.4 163.9 1.5 5.8 68.3 32 113 A D + 0 0 67 -2,-0.3 56,-2.7 26,-0.1 2,-0.4 -0.369 62.6 155.9 -73.4 66.5 4.5 4.2 66.6 33 114 A V B -E 87 0C 1 -2,-2.1 26,-2.0 -5,-0.3 27,-0.3 -0.735 39.5-125.2 -96.5 132.0 6.4 7.2 65.4 34 115 A L B -F 58 0D 21 52,-3.3 2,-0.4 -2,-0.4 24,-0.3 -0.455 23.2-114.4 -73.7 146.2 10.1 6.8 64.8 35 116 A V + 0 0 0 22,-2.8 20,-2.4 -2,-0.1 21,-0.3 -0.691 51.7 162.5 -78.5 131.7 12.6 9.2 66.5 36 117 A T + 0 0 2 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.732 24.8 175.9-138.2-175.0 14.2 11.4 63.9 37 118 A R + 0 0 28 16,-0.5 16,-2.5 -2,-0.2 324,-0.1 -0.851 62.0 55.9-176.9 174.1 16.2 14.5 63.1 38 119 A E S S+ 0 0 6 -2,-0.2 62,-0.1 14,-0.2 16,-0.1 0.906 73.3 173.9 52.8 51.2 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 -0.264 10.0 162.5 -81.0 168.3 14.6 16.0 58.0 40 121 A Y E -G 51 0E 0 11,-2.6 11,-2.7 108,-0.1 2,-0.3 -0.938 30.7-116.1-167.5 178.5 14.0 17.5 54.5 41 122 A V E +G 50 0E 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.952 28.3 175.5-128.4 150.7 11.5 17.2 51.7 42 123 A S E -G 49 0E 0 7,-2.2 7,-2.3 -2,-0.3 2,-0.3 -0.967 16.7-137.3-157.9 139.7 12.0 16.0 48.1 43 124 A b E -G 48 0E 0 286,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.771 6.5-164.0-106.6 149.4 9.8 15.3 45.1 44 125 A D - 0 0 22 3,-3.7 3,-0.3 -2,-0.3 288,-0.2 -0.584 50.0 -92.9-106.3 172.1 9.6 12.6 42.5 45 126 A P S S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.794 124.9 27.3 -61.3 -24.1 7.7 13.4 39.2 46 127 A D S S+ 0 0 136 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.400 126.3 28.2-120.0 1.9 4.5 12.0 40.7 47 128 A E - 0 0 69 -3,-0.3 -3,-3.7 2,-0.0 2,-0.4 -0.981 55.8-145.5-160.6 148.0 4.8 12.5 44.5 48 129 A b E -G 43 0E 19 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.976 29.2-175.2-116.3 134.9 6.5 14.8 47.1 49 130 A R E -GH 42 81E 14 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.2 -0.896 26.8-114.8-132.2 157.1 7.6 13.1 50.3 50 131 A F E -GH 41 80E 0 30,-2.2 30,-2.1 -2,-0.3 2,-0.3 -0.619 34.1-168.2 -86.7 148.3 9.1 13.9 53.8 51 132 A Y E +GH 40 79E 0 -11,-2.7 -11,-2.6 -2,-0.2 2,-0.3 -0.967 15.5 146.4-136.1 154.1 12.6 12.6 54.5 52 133 A A E - H 0 78E 0 26,-1.9 26,-2.8 -2,-0.3 2,-0.7 -0.974 49.0 -91.4-174.0 171.5 14.7 12.3 57.7 53 134 A L E - H 0 77E 0 -16,-2.5 -16,-0.5 -2,-0.3 24,-0.2 -0.886 42.0-147.1-101.9 109.4 17.3 10.3 59.5 54 135 A S E - H 0 76E 7 22,-2.6 22,-1.0 -2,-0.7 -18,-0.2 -0.366 10.5-144.7 -69.3 157.7 15.6 7.8 61.8 55 136 A Q - 0 0 15 -20,-2.4 20,-0.2 2,-0.4 -19,-0.1 0.234 44.6-111.6-105.1 8.2 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 0.885 88.5 75.4 64.3 42.1 16.0 3.2 64.8 57 138 A T S S- 0 0 16 -22,-0.3 -22,-2.8 7,-0.1 -2,-0.4 -0.937 80.8-105.9-171.3 155.0 13.5 3.4 67.7 58 139 A T B -F 34 0D 30 -24,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.480 34.6-114.7 -82.9 162.7 10.0 4.9 68.4 59 140 A I S S+ 0 0 2 -26,-2.0 -25,-0.1 1,-0.2 5,-0.1 0.831 116.9 42.4 -66.6 -40.7 9.8 8.1 70.6 60 141 A R S S+ 0 0 110 -27,-0.3 -1,-0.2 -29,-0.3 2,-0.1 0.525 95.1 102.9 -80.6 -15.4 7.9 6.3 73.4 61 142 A G S > S- 0 0 20 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.425 84.0-118.5 -69.0 149.9 10.1 3.2 73.2 62 143 A K G > S+ 0 0 192 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.823 110.7 67.9 -60.2 -27.2 12.8 2.8 75.8 63 144 A H G 3 S+ 0 0 159 1,-0.3 -1,-0.3 3,-0.1 -4,-0.1 0.457 77.1 85.2 -72.4 0.2 15.6 3.0 73.1 64 145 A S G X + 0 0 13 -3,-1.9 3,-1.8 2,-0.1 2,-0.4 0.705 65.7 102.7 -71.2 -19.5 14.6 6.7 72.7 65 146 A N T < S+ 0 0 92 -3,-1.8 293,-0.2 1,-0.3 -3,-0.0 -0.501 86.6 19.0 -66.5 119.2 16.9 7.3 75.6 66 147 A G T > S+ 0 0 24 291,-2.4 3,-2.2 -2,-0.4 -1,-0.3 0.323 76.7 131.7 104.5 -4.8 20.1 8.7 74.1 67 148 A T T < + 0 0 8 -3,-1.8 291,-0.1 1,-0.3 -2,-0.1 0.325 52.3 87.3 -65.1 6.0 18.9 9.8 70.7 68 149 A I T 3 S+ 0 0 67 289,-0.3 -1,-0.3 -4,-0.1 2,-0.1 0.801 71.8 97.6 -71.3 -26.7 20.6 13.2 71.2 69 150 A H < - 0 0 132 -3,-2.2 3,-0.1 1,-0.1 290,-0.1 -0.359 67.1-150.8 -64.8 140.0 23.6 11.4 69.7 70 151 A D S S+ 0 0 71 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.835 70.5 40.7 -79.5 -41.7 24.2 11.9 66.0 71 152 A R + 0 0 96 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.908 63.0 138.3-125.7 108.4 25.9 8.8 64.6 72 153 A S > - 0 0 29 -2,-0.6 3,-1.1 -3,-0.1 44,-0.1 -0.894 61.3-107.9-136.9 169.4 25.0 5.3 65.5 73 154 A Q T 3 S+ 0 0 157 -2,-0.3 -17,-0.0 1,-0.2 24,-0.0 0.546 111.3 68.2 -76.0 -3.2 24.6 2.1 63.6 74 155 A Y T 3 S+ 0 0 161 -19,-0.1 -1,-0.2 22,-0.1 2,-0.2 0.405 77.6 100.4 -97.8 2.8 20.9 2.3 64.1 75 156 A R < + 0 0 3 -3,-1.1 22,-0.9 -20,-0.2 2,-0.3 -0.524 43.0 168.9 -88.2 157.7 20.2 5.3 61.9 76 157 A A E -HI 54 96E 12 -22,-1.0 -22,-2.6 20,-0.3 2,-0.5 -0.975 39.6-106.3-163.1 148.3 18.9 5.3 58.3 77 158 A L E +HI 53 95E 0 18,-2.9 17,-2.9 -2,-0.3 18,-1.0 -0.732 46.1 179.8 -79.3 128.4 17.5 7.7 55.8 78 159 A I E -HI 52 93E 4 -26,-2.8 -26,-1.9 -2,-0.5 2,-0.3 -0.929 15.7-162.3-128.0 154.2 13.7 7.1 55.5 79 160 A S E +HI 51 92E 0 13,-2.3 13,-2.9 -2,-0.3 -28,-0.2 -0.959 12.8 173.7-131.5 152.6 11.0 8.8 53.5 80 161 A W E -H 50 0E 1 -30,-2.1 -30,-2.2 -2,-0.3 3,-0.1 -0.959 42.4 -61.0-154.4 164.7 7.2 8.7 54.1 81 162 A P E > -H 49 0E 47 0, 0.0 3,-2.4 0, 0.0 -32,-0.2 -0.196 69.2 -83.6 -58.1 144.5 4.1 10.3 52.6 82 163 A L T 3 S- 0 0 58 -34,-0.9 -33,-0.1 1,-0.3 -41,-0.0 -0.119 110.1 -0.2 -48.1 126.7 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 0.506 102.4 114.1 69.1 4.5 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 -0.529 73.6-106.1 -89.4 164.3 2.1 11.9 57.6 85 166 A P - 0 0 19 0, 0.0 2,-1.4 0, 0.0 5,-0.1 -0.631 34.3 -99.2 -86.8 160.2 4.4 11.2 60.5 86 167 A P + 0 0 1 0, 0.0 -52,-3.3 0, 0.0 2,-0.2 -0.657 57.1 175.9 -72.1 93.6 7.4 8.9 60.2 87 168 A T B >> -E 33 0C 24 -2,-1.4 4,-1.2 -54,-0.3 3,-0.5 -0.647 46.0-113.4 -98.6 161.2 5.9 5.7 61.7 88 169 A V T 34 S+ 0 0 67 -56,-2.7 -55,-0.1 -2,-0.2 -1,-0.1 0.856 117.2 46.1 -58.5 -32.6 7.4 2.3 61.9 89 69AA Y T 34 S+ 0 0 177 -57,-0.3 -1,-0.2 1,-0.2 -56,-0.1 0.646 117.1 35.5 -87.9 -21.9 4.7 1.1 59.4 90 170 A N T <4 S+ 0 0 48 -3,-0.5 2,-0.4 -5,-0.1 -2,-0.2 0.377 89.8 107.7-113.6 4.2 4.8 3.8 56.7 91 171 A S < - 0 0 24 -4,-1.2 2,-0.5 -11,-0.1 -11,-0.2 -0.716 52.6-156.0 -90.8 131.2 8.5 4.6 56.6 92 172 A R E -I 79 0E 85 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.5 -0.893 14.8-133.7-106.5 125.4 10.6 3.5 53.6 93 173 A V E -I 78 0E 73 -2,-0.5 -15,-0.3 -15,-0.2 3,-0.1 -0.691 21.3-178.8 -81.6 124.4 14.3 3.1 54.1 94 174 A E E - 0 0 10 -17,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.786 67.0 -32.9 -87.8 -34.8 16.3 4.7 51.3 95 175 A c E -I 77 0E 3 -18,-1.0 -18,-2.9 2,-0.1 2,-0.4 -0.947 64.6 -93.7-176.6 165.4 19.7 3.7 52.8 96 176 A I E +I 76 0E 100 -2,-0.3 2,-0.3 -20,-0.3 -20,-0.3 -0.802 68.2 76.6 -98.1 132.2 21.6 3.1 56.1 97 177 A G S S- 0 0 1 -22,-0.9 18,-0.3 -2,-0.4 -2,-0.1 -0.925 72.2 -97.7 156.0 178.6 23.7 5.9 57.7 98 178 A W S S+ 0 0 16 16,-2.4 2,-0.3 -2,-0.3 17,-0.1 0.176 99.1 39.6-119.3 15.8 23.9 9.1 59.7 99 179 A S E S+J 114 0F 0 15,-0.6 15,-2.3 45,-0.1 2,-0.3 -0.924 72.7 160.9-161.5 136.8 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 -0.967 27.0-167.8-156.6 173.2 22.4 11.9 53.7 101 181 A T E -J 112 0F 0 11,-1.6 11,-2.9 -2,-0.3 2,-0.3 -0.936 14.2-176.4-157.1 165.6 21.1 13.6 50.6 102 182 A S E +J 111 0F 0 46,-0.4 48,-1.4 -2,-0.3 2,-0.3 -0.953 5.8 167.4-169.4 142.6 18.6 12.5 47.9 103 183 A d E -J 110 0F 3 7,-2.4 7,-3.0 -2,-0.3 2,-0.4 -0.955 29.7-126.3-162.0 147.6 17.2 13.8 44.6 104 184 A H E -J 109 0F 22 -61,-0.5 48,-0.3 -2,-0.3 5,-0.3 -0.826 11.5-160.7 -95.2 133.9 15.1 12.7 41.6 105 185 A D - 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