==== 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 26-JUL-06 2HTV . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.J.RUSSELL,L.F.HAIRE,D.J.STEVENS,P.J.COLLINS,Y.P.LIN,G.M.BL . 776 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 252 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 78 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2 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 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 . 2 3 2 8 11 12 1 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 . 2 0 10 2 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 V 0 0 163 0, 0.0 2,-0.3 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 -16.7 205.7 196.9 100.3 2 83 A I - 0 0 88 330,-0.1 43,-0.2 104,-0.0 2,-0.1 -0.913 360.0 -98.7-140.5 165.9 209.4 197.4 99.7 3 84 A H - 0 0 75 -2,-0.3 2,-0.4 103,-0.2 103,-0.3 -0.449 41.3 -95.0 -87.5 160.0 212.8 197.2 101.5 4 85 A Y - 0 0 5 101,-3.2 150,-1.4 -2,-0.1 151,-0.6 -0.605 46.7-149.9 -71.3 122.6 214.8 200.0 103.2 5 86 A S - 0 0 40 -2,-0.4 326,-0.2 148,-0.2 3,-0.1 -0.592 4.3-129.0 -96.7 160.1 217.4 201.1 100.6 6 87 A S S S+ 0 0 28 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.148 71.9 77.9 -92.9-170.3 220.9 202.4 101.3 7 88 A G + 0 0 45 1,-0.3 2,-0.4 199,-0.1 -1,-0.1 0.710 68.8 125.5 80.1 23.1 222.7 205.5 100.1 8 89 A K - 0 0 43 -3,-0.1 196,-3.6 330,-0.0 -1,-0.3 -0.906 47.1-147.9-116.9 141.3 220.9 207.9 102.4 9 90 A D - 0 0 110 328,-0.4 330,-2.7 -2,-0.4 194,-0.1 -0.666 35.1 -87.7-102.4 161.9 222.4 210.3 105.0 10 91 A L B -a 339 0A 19 328,-0.2 330,-0.2 -2,-0.2 -1,-0.1 -0.310 52.2-104.0 -63.7 151.1 220.9 211.4 108.3 11 92 A a - 0 0 2 328,-3.7 -1,-0.1 1,-0.1 2,-0.1 -0.311 42.3 -85.5 -75.5 160.4 218.6 214.4 108.1 12 93 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.398 49.4-161.7 -63.9 141.0 219.6 217.9 109.2 13 94 A V + 0 0 22 1,-0.1 357,-0.3 357,-0.1 356,-0.1 -0.979 30.9 164.1-136.2 126.9 219.0 218.4 112.9 14 95 A K S S- 0 0 131 355,-1.9 2,-0.3 1,-0.4 356,-0.2 0.832 75.8 -18.7 -98.1 -53.2 218.7 221.6 114.9 15 96 A G S S- 0 0 2 354,-1.2 2,-0.5 356,-0.4 -1,-0.4 -0.889 71.7 -91.4-147.2 176.8 217.2 220.1 118.1 16 97 A W - 0 0 0 -2,-0.3 358,-0.5 -3,-0.1 352,-0.2 -0.837 28.3-155.0-106.2 129.2 215.3 217.1 119.4 17 98 A A E -B 367 0B 25 350,-2.2 350,-1.9 -2,-0.5 356,-0.1 -0.807 28.0-107.6-101.3 135.1 211.5 216.8 119.5 18 99 A P E +B 366 0B 81 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.353 38.0 172.3 -60.9 133.6 209.7 214.5 122.0 19 100 A L E - 0 0 71 346,-3.3 2,-0.3 1,-0.4 347,-0.2 0.765 58.7 -10.6-108.6 -47.8 208.2 211.4 120.2 20 101 A S E -B 365 0B 19 345,-1.1 345,-2.6 63,-0.0 -1,-0.4 -0.993 43.2-176.1-156.3 157.6 207.0 209.2 123.0 21 102 A K E -B 364 0B 60 -2,-0.3 343,-0.2 343,-0.3 359,-0.0 -0.944 7.4-168.5-150.4 138.2 206.9 208.6 126.8 22 103 A D - 0 0 11 341,-1.8 5,-0.1 -2,-0.3 342,-0.1 0.679 16.1-149.9-109.1 -21.0 205.2 205.6 128.4 23 104 A N > + 0 0 53 340,-0.5 4,-2.4 1,-0.1 5,-0.3 0.809 36.9 161.0 53.9 28.4 205.1 206.2 132.2 24 105 A G H > + 0 0 2 1,-0.2 4,-1.8 2,-0.2 338,-0.1 0.855 67.4 46.1 -48.8 -43.6 205.3 202.5 132.4 25 106 A I H 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.872 110.1 52.3 -72.7 -35.4 206.4 202.5 136.0 26 107 A R H >4 S+ 0 0 130 354,-0.4 3,-1.1 -3,-0.3 4,-0.2 0.931 114.0 44.4 -63.1 -44.7 203.8 205.0 137.2 27 108 A I H >X S+ 0 0 81 -4,-2.4 4,-3.2 1,-0.2 3,-1.7 0.849 103.7 65.4 -65.7 -36.5 201.1 202.9 135.6 28 109 A G T 3< S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.3 5,-0.2 0.604 77.9 85.2 -64.3 -10.1 202.6 199.7 137.1 29 110 A S T <4 S- 0 0 55 -3,-1.1 -1,-0.3 -4,-0.4 358,-0.2 0.839 122.8 -7.3 -59.8 -32.4 201.8 201.1 140.5 30 111 A R T <4 S+ 0 0 236 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.546 123.2 78.1-133.7 -31.8 198.4 199.5 140.0 31 112 A G S < S- 0 0 31 -4,-3.2 2,-0.9 -5,-0.1 28,-0.1 -0.272 91.2 -90.1 -81.5 170.4 198.2 198.2 136.5 32 113 A E + 0 0 115 26,-0.1 2,-0.4 53,-0.0 57,-0.3 -0.721 60.5 157.5 -83.4 104.1 199.7 195.1 135.0 33 114 A V - 0 0 2 -2,-0.9 26,-2.8 26,-0.2 54,-0.2 -0.994 38.8-122.8-135.6 130.9 203.2 196.0 133.8 34 115 A F B -E 58 0C 28 52,-2.0 2,-0.7 -2,-0.4 24,-0.2 -0.305 32.7-108.8 -65.2 148.6 206.3 193.9 133.1 35 116 A V - 0 0 17 22,-2.6 20,-0.6 325,-0.1 21,-0.3 -0.747 54.0-160.6 -79.3 118.6 209.5 194.7 135.0 36 117 A I + 0 0 4 -2,-0.7 2,-0.3 325,-0.3 18,-0.1 -0.529 30.6 172.7-105.6 168.1 211.5 196.1 132.0 37 118 A R S S+ 0 0 34 16,-0.4 16,-2.5 -2,-0.2 3,-0.2 -0.878 70.3 25.6-165.0 144.2 215.1 196.8 130.9 38 119 A E - 0 0 10 -2,-0.3 2,-2.7 1,-0.2 13,-0.1 0.909 62.3-174.3 65.4 45.0 216.3 197.9 127.5 39 120 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.421 20.7 169.4 -72.4 79.5 213.2 199.6 126.2 40 121 A F E -F 51 0D 0 -2,-2.7 11,-4.0 11,-1.7 2,-0.2 -0.753 26.5-134.3 -98.0 139.8 214.6 200.2 122.7 41 122 A I E +F 50 0D 0 -2,-0.4 108,-0.4 9,-0.3 2,-0.3 -0.613 22.9 174.7 -91.7 148.6 212.6 201.3 119.7 42 123 A S E -F 49 0D 0 7,-2.5 7,-2.3 -2,-0.2 2,-0.3 -0.969 12.6-155.4-150.5 133.0 212.8 199.9 116.2 43 124 A b E -F 48 0D 3 285,-0.3 61,-0.5 -2,-0.3 5,-0.3 -0.845 9.6-162.9-119.3 152.3 210.6 200.8 113.2 44 125 A S - 0 0 11 3,-3.6 3,-0.2 -2,-0.3 65,-0.1 -0.630 54.4 -82.7-112.5 174.9 209.4 199.2 109.9 45 126 A I S S+ 0 0 23 61,-1.8 3,-0.1 1,-0.2 -42,-0.0 0.860 130.3 26.7 -50.1 -37.6 208.0 201.2 107.0 46 127 A N S S+ 0 0 152 60,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.631 122.6 35.7-102.4 -15.2 204.6 201.2 108.7 47 128 A E - 0 0 68 -3,-0.2 -3,-3.6 2,-0.0 2,-0.4 -0.972 49.1-153.1-146.8 155.9 205.3 200.9 112.4 48 129 A b E -F 43 0D 32 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.982 25.3-179.9-121.9 134.9 207.5 201.7 115.4 49 130 A R E -FG 42 81D 16 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.5 -0.961 26.1-127.4-136.5 153.2 207.6 199.4 118.3 50 131 A T E -FG 41 80D 5 30,-3.2 30,-1.6 -2,-0.3 2,-0.3 -0.889 23.3-159.4-101.6 124.7 209.5 199.3 121.6 51 132 A F E +FG 40 79D 0 -11,-4.0 -11,-1.7 -2,-0.5 2,-0.3 -0.794 19.8 163.7-101.1 148.0 211.4 196.1 122.3 52 133 A F E - G 0 78D 1 26,-2.5 26,-2.6 -2,-0.3 2,-0.4 -0.954 33.8-111.8-154.4 173.1 212.4 195.2 125.9 53 134 A L E - G 0 77D 0 -16,-2.5 -16,-0.4 -2,-0.3 2,-0.3 -0.940 29.3-174.6-116.1 134.5 213.6 192.5 128.2 54 135 A T E - G 0 76D 1 22,-2.1 22,-2.1 -2,-0.4 43,-0.2 -0.949 32.5-148.2-129.5 150.3 211.5 190.9 130.9 55 136 A Q - 0 0 41 -20,-0.6 20,-0.1 -2,-0.3 3,-0.1 0.345 62.3-104.3 -89.9 3.3 212.1 188.4 133.6 56 137 A G S S+ 0 0 50 1,-0.3 2,-0.3 -21,-0.3 19,-0.1 0.840 85.6 121.1 75.9 34.3 208.5 187.5 133.1 57 138 A A - 0 0 7 -22,-0.3 -22,-2.6 7,-0.1 -1,-0.3 -0.971 55.2-131.7-131.8 146.6 207.5 189.3 136.3 58 139 A L B > -E 34 0C 49 -2,-0.3 3,-1.1 -24,-0.2 -24,-0.2 -0.667 31.6 -95.4 -99.2 153.4 205.1 192.2 137.0 59 140 A L T 3 S+ 0 0 9 -26,-2.8 -26,-0.2 -2,-0.3 3,-0.1 -0.353 108.2 21.7 -63.9 141.9 205.6 195.3 139.0 60 141 A N T 3 S+ 0 0 46 1,-0.3 2,-0.4 -28,-0.1 -1,-0.2 0.682 101.1 112.4 71.7 21.9 204.4 195.2 142.6 61 142 A D S X S- 0 0 68 -3,-1.1 3,-2.5 1,-0.1 -1,-0.3 -0.957 78.7-118.2-124.9 144.0 204.5 191.4 142.7 62 143 A K G > S+ 0 0 160 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.796 109.5 69.8 -48.2 -35.4 206.9 189.2 144.7 63 144 A H G 3 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.475 86.0 69.6 -65.3 0.3 208.3 187.7 141.5 64 145 A S G < + 0 0 8 -3,-2.5 -1,-0.3 1,-0.2 295,-0.2 0.315 60.6 120.5 -98.2 7.5 209.9 191.1 140.9 65 146 A N < - 0 0 75 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.669 61.7-151.6 -45.3 -22.0 212.2 190.4 143.9 66 147 A G + 0 0 50 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.699 60.7 124.0 54.8 19.3 215.1 190.8 141.4 67 148 A T + 0 0 110 2,-0.1 -1,-0.2 0, 0.0 291,-0.0 0.780 55.8 99.2 -73.6 -26.6 217.3 188.5 143.5 68 149 A V S S- 0 0 69 1,-0.1 2,-0.1 2,-0.1 4,-0.1 -0.088 86.7 -97.3 -60.2 154.3 217.5 186.7 140.2 69 150 A K - 0 0 161 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.402 24.2-124.9 -71.3 146.8 220.4 186.9 137.7 70 151 A D S S+ 0 0 99 1,-0.3 2,-1.1 -2,-0.1 -1,-0.1 0.922 111.2 55.9 -57.9 -39.8 220.1 189.3 134.8 71 152 A R S S+ 0 0 82 3,-0.0 -1,-0.3 2,-0.0 -2,-0.2 -0.769 80.9 144.8 -95.3 92.0 220.8 186.3 132.6 72 153 A S > - 0 0 6 -2,-1.1 3,-0.7 -3,-0.1 44,-0.1 -0.811 63.0-112.6-123.1 165.5 218.1 183.9 133.7 73 154 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.626 114.3 61.9 -74.0 -8.1 216.1 181.2 131.8 74 155 A F T 3 S+ 0 0 124 22,-0.1 2,-0.2 2,-0.0 -20,-0.1 0.717 76.4 107.8 -88.2 -22.5 213.0 183.4 132.3 75 156 A R < + 0 0 12 -3,-0.7 22,-1.6 -20,-0.1 2,-0.3 -0.357 45.8 175.1 -64.3 127.4 214.2 186.4 130.5 76 157 A T E -GH 54 96D 24 -22,-2.1 -22,-2.1 20,-0.3 2,-0.5 -0.930 31.9-119.8-132.2 156.1 212.5 187.0 127.1 77 158 A L E +GH 53 95D 0 18,-4.5 17,-2.6 -2,-0.3 18,-1.9 -0.823 41.4 167.7 -94.7 130.2 212.5 189.7 124.4 78 159 A M E -GH 52 93D 22 -26,-2.6 -26,-2.5 -2,-0.5 2,-0.3 -0.829 16.0-157.0-135.4 172.5 209.2 191.3 123.8 79 160 A S E +GH 51 92D 0 13,-1.8 13,-3.3 -2,-0.3 -28,-0.2 -0.978 10.6 172.0-150.0 163.6 207.7 194.3 122.0 80 161 A C E -G 50 0D 3 -30,-1.6 -30,-3.2 -2,-0.3 11,-0.1 -0.976 47.3 -68.2-162.8 166.8 204.8 196.7 121.9 81 162 A P E > -G 49 0D 56 0, 0.0 3,-1.1 0, 0.0 -32,-0.2 -0.350 66.1 -97.1 -61.0 148.2 203.6 199.9 120.3 82 163 A I T 3 S+ 0 0 45 -34,-0.9 3,-0.1 1,-0.2 -34,-0.1 -0.331 104.7 25.6 -66.6 149.9 205.6 202.9 121.4 83 164 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.118 95.9 107.4 88.5 -24.2 204.2 205.0 124.3 84 165 A V S < S- 0 0 53 -3,-1.1 -1,-0.3 1,-0.1 -60,-0.1 -0.586 81.4 -95.0 -90.7 153.5 202.1 202.3 125.8 85 166 A A - 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