==== 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 25-JUL-06 2HT8 . 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 . 387 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 58.4 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 . 126 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 1 0.3 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 . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.9 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 . 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 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 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 . 1 1 2 4 6 2 3 0 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 83 A T 0 0 149 0, 0.0 153,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 152.8 11.3 -10.3 9.8 2 84 A Y - 0 0 54 1,-0.1 2,-0.6 151,-0.1 103,-0.3 -0.262 360.0-123.4 -64.9 140.1 13.6 -13.0 8.4 3 85 A M - 0 0 7 101,-2.9 150,-1.7 2,-0.0 2,-0.8 -0.724 15.0-143.7 -87.7 114.7 12.3 -16.1 6.6 4 86 A N + 0 0 87 -2,-0.6 3,-0.3 148,-0.2 326,-0.2 -0.681 22.4 174.6 -76.6 108.9 13.3 -19.4 8.1 5 87 A N + 0 0 13 -2,-0.8 199,-0.6 1,-0.2 -1,-0.1 -0.318 43.3 115.4-111.2 50.0 13.8 -21.7 5.1 6 88 A T + 0 0 51 197,-0.2 197,-0.5 198,-0.1 198,-0.2 0.754 45.4 101.8 -86.6 -30.7 15.1 -24.5 7.3 7 89 A E S S- 0 0 56 -3,-0.3 196,-2.4 196,-0.2 197,-0.4 0.091 77.5-102.5 -52.4 166.3 12.3 -27.0 6.7 8 90 A A - 0 0 35 194,-0.3 330,-1.8 328,-0.3 194,-0.1 -0.482 43.0 -91.8 -87.6 162.1 12.6 -30.0 4.4 9 91 A I B -a 338 0A 17 263,-0.2 330,-0.2 328,-0.2 265,-0.1 -0.468 47.7-108.5 -71.6 149.7 11.1 -30.0 0.9 10 92 A a - 0 0 9 328,-2.4 2,-0.7 -2,-0.1 -1,-0.1 -0.381 30.2-113.2 -74.3 159.8 7.5 -31.5 0.9 11 93 A D - 0 0 82 -2,-0.1 2,-0.3 262,-0.1 -1,-0.1 -0.855 37.8-172.2-100.2 116.4 7.0 -34.9 -0.7 12 94 A A - 0 0 2 -2,-0.7 357,-0.2 1,-0.1 3,-0.1 -0.794 29.3-164.7-110.8 149.4 5.0 -34.7 -3.9 13 95 A K S S- 0 0 96 355,-0.9 2,-0.3 1,-0.3 359,-0.2 0.328 82.7 -11.1-106.2 1.0 3.5 -37.4 -6.1 14 96 A G - 0 0 0 354,-0.9 2,-0.4 357,-0.2 -1,-0.3 -0.937 68.3-108.0 174.9 165.9 3.0 -34.9 -8.9 15 97 A F - 0 0 1 -2,-0.3 352,-0.2 357,-0.2 353,-0.2 -0.903 18.5-152.4-119.2 145.0 2.9 -31.2 -9.8 16 98 A A E -B 366 0B 33 350,-2.4 350,-2.7 -2,-0.4 2,-0.1 -0.862 33.2 -96.4-113.4 144.5 0.0 -28.9 -10.7 17 99 A P E -B 365 0B 65 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.365 32.8-178.2 -62.1 132.0 0.2 -25.8 -13.0 18 100 A F E - 0 0 88 346,-3.7 2,-0.3 1,-0.3 347,-0.2 0.883 61.1 -33.8 -91.4 -54.1 0.7 -22.5 -11.1 19 101 A S E -B 364 0B 27 345,-0.8 345,-1.4 63,-0.0 -1,-0.3 -0.895 39.7-149.1-156.3-177.7 0.6 -20.1 -14.1 20 102 A K E -B 363 0B 59 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.798 6.6-163.8-164.5 120.2 1.3 -19.4 -17.8 21 103 A D - 0 0 13 341,-1.0 63,-0.3 -2,-0.2 342,-0.1 0.847 13.8-151.7 -82.2 -34.9 2.1 -16.0 -19.2 22 104 A N > + 0 0 52 340,-0.5 4,-2.3 61,-0.1 5,-0.3 0.884 34.6 161.6 63.5 36.6 1.5 -16.3 -22.9 23 105 A G H > + 0 0 2 3,-0.2 4,-2.0 2,-0.2 7,-0.1 0.912 67.9 41.5 -56.2 -47.4 4.1 -13.6 -23.3 24 106 A I H > S+ 0 0 2 2,-0.2 4,-0.7 3,-0.2 -1,-0.2 0.975 115.1 47.8 -68.2 -55.2 4.9 -14.3 -26.9 25 107 A R H >4 S+ 0 0 135 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.964 119.8 40.9 -46.3 -60.5 1.3 -14.9 -28.2 26 108 A I H >X S+ 0 0 76 -4,-2.3 4,-2.9 1,-0.3 3,-1.8 0.873 107.1 66.4 -53.4 -39.3 0.3 -11.7 -26.4 27 109 A G H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.579 81.3 78.1 -61.9 -10.2 3.6 -10.3 -27.7 28 110 A S T << S+ 0 0 50 -3,-2.4 -1,-0.3 -4,-0.7 -2,-0.2 0.826 120.1 4.5 -69.1 -31.8 2.2 -10.5 -31.2 29 111 A R T <4 S+ 0 0 235 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.1 0.617 121.8 70.5-123.8 -26.8 0.1 -7.4 -30.6 30 112 A G S < S- 0 0 27 -4,-2.9 2,-1.2 -5,-0.2 28,-0.2 -0.240 90.8 -93.6 -88.5 179.4 1.0 -6.1 -27.1 31 113 A H + 0 0 92 26,-0.1 56,-1.6 -2,-0.1 2,-0.4 -0.671 58.4 161.2 -97.2 80.7 4.2 -4.5 -25.8 32 114 A I B -E 86 0C 6 -2,-1.2 26,-1.4 -5,-0.2 2,-0.3 -0.836 42.8-113.0-106.5 136.2 6.1 -7.4 -24.4 33 115 A F E -F 57 0D 27 52,-3.0 2,-0.4 -2,-0.4 24,-0.3 -0.477 26.0-128.8 -66.2 121.7 9.8 -7.5 -23.6 34 116 A V E + 0 0 0 22,-1.9 20,-2.4 -2,-0.3 22,-0.5 -0.633 55.3 149.5 -68.0 127.0 11.7 -9.8 -25.9 35 117 A I E -F 53 0D 6 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.615 32.8-167.4-140.7-159.3 13.5 -11.8 -23.3 36 118 A R E +F 52 0D 31 16,-0.6 16,-0.8 -2,-0.2 324,-0.1 -0.886 61.1 55.3 171.6 165.8 15.0 -15.2 -22.3 37 119 A E E S+ 0 0 9 -2,-0.2 2,-0.2 1,-0.1 62,-0.1 0.970 70.6 178.7 55.9 58.2 16.4 -17.0 -19.2 38 120 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.507 5.8 169.5 -88.5 160.0 13.2 -16.5 -17.1 39 121 A F E -F 50 0D 2 11,-2.7 11,-3.8 -2,-0.2 2,-0.4 -0.975 26.6-123.9-167.8 156.0 12.7 -17.8 -13.6 40 122 A V E +F 49 0D 0 -2,-0.3 108,-0.4 9,-0.3 2,-0.3 -0.887 24.2 168.2-112.2 137.8 10.5 -17.6 -10.5 41 123 A S E -F 48 0D 3 7,-1.8 7,-2.5 -2,-0.4 2,-0.3 -0.984 20.3-146.4-144.6 136.4 11.3 -16.7 -6.9 42 124 A b E -F 47 0D 8 285,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.767 7.3-160.4-110.8 151.4 8.8 -16.0 -4.2 43 125 A S - 0 0 7 3,-3.6 2,-0.7 -2,-0.3 3,-0.3 -0.632 50.9 -85.6-113.0 175.2 8.8 -13.7 -1.1 44 126 A P S S+ 0 0 31 0, 0.0 3,-0.1 0, 0.0 284,-0.0 0.083 127.6 34.9 -76.3 35.0 6.4 -14.3 1.8 45 127 A I S S- 0 0 136 -2,-0.7 2,-0.3 1,-0.5 -3,-0.0 0.401 126.3 -6.4-150.7 -26.2 3.6 -12.4 0.0 46 128 A E - 0 0 42 -3,-0.3 -3,-3.6 2,-0.0 -1,-0.5 -0.981 56.9-121.1-168.2 164.5 4.0 -13.1 -3.7 47 129 A b E -F 42 0D 7 -2,-0.3 34,-2.0 -5,-0.3 2,-0.3 -0.894 27.1-160.8-112.4 146.8 6.1 -14.8 -6.3 48 130 A R E -FG 41 80D 9 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.7 -0.934 18.2-126.9-128.6 152.3 7.5 -12.9 -9.2 49 131 A T E -FG 40 79D 7 30,-3.5 30,-1.4 -2,-0.3 2,-0.3 -0.890 26.6-157.7 -98.1 112.6 8.8 -14.0 -12.6 50 132 A F E +FG 39 78D 0 -11,-3.8 -11,-2.7 -2,-0.7 28,-0.2 -0.707 19.0 169.7 -90.9 141.8 12.3 -12.6 -13.1 51 133 A F E - G 0 77D 0 26,-2.6 26,-1.0 -2,-0.3 2,-0.4 -0.723 35.3-118.1-137.7-175.4 13.6 -12.3 -16.7 52 134 A L E -FG 36 76D 0 -16,-0.8 -16,-0.6 -2,-0.2 24,-0.2 -0.944 30.0-151.7-132.9 108.5 16.4 -10.9 -18.9 53 135 A T E -F 35 0D 0 22,-1.9 22,-0.5 -2,-0.4 -18,-0.2 -0.462 17.4-138.8 -80.4 152.5 15.2 -8.4 -21.4 54 136 A Q E - 0 0 10 -20,-2.4 20,-0.2 2,-0.4 19,-0.1 0.140 55.6-102.5 -93.0 19.1 17.1 -7.8 -24.7 55 137 A G E S+ 0 0 44 1,-0.3 2,-0.3 18,-0.2 -20,-0.1 0.698 97.4 73.3 68.4 18.9 16.4 -4.1 -24.0 56 138 A S E S- 0 0 9 -22,-0.5 -22,-1.9 7,-0.1 -2,-0.4 -0.893 73.5-114.3-150.2 178.7 13.6 -4.3 -26.6 57 139 A L E -F 33 0D 44 -24,-0.3 3,-0.4 -2,-0.3 2,-0.2 -0.476 37.0 -87.5-111.1-177.9 10.1 -5.6 -27.4 58 140 A L S S+ 0 0 9 -26,-1.4 -26,-0.1 1,-0.2 3,-0.1 -0.654 103.7 25.4 -94.5 152.1 8.5 -8.1 -29.7 59 141 A N S S+ 0 0 42 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.883 101.1 112.5 64.9 38.6 7.3 -7.4 -33.3 60 142 A D S > S- 0 0 58 -3,-0.4 3,-1.7 1,-0.1 -1,-0.3 -0.964 80.1-118.8-138.8 153.1 9.9 -4.6 -33.5 61 143 A K G > S+ 0 0 148 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.802 112.2 65.1 -62.4 -30.0 13.1 -4.1 -35.4 62 144 A H G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 -4,-0.0 0.442 86.6 72.8 -74.0 2.5 15.1 -3.9 -32.2 63 145 A S G X S+ 0 0 1 -3,-1.7 3,-1.2 2,-0.1 295,-0.5 0.611 75.6 110.7 -87.2 -14.5 14.1 -7.5 -31.6 64 146 A N T < S+ 0 0 93 -3,-1.8 2,-1.7 1,-0.2 294,-0.2 0.805 81.8 9.5 -26.9-118.2 16.5 -8.4 -34.4 65 147 A G T > S+ 0 0 35 1,-0.2 3,-2.4 292,-0.1 2,-0.5 0.087 77.8 140.3 -66.9 32.1 19.7 -10.3 -33.4 66 148 A T T < + 0 0 12 -2,-1.7 3,-0.3 -3,-1.2 -1,-0.2 0.244 54.3 82.3 -61.6 18.2 18.5 -10.9 -29.9 67 149 A V T 3 + 0 0 43 -2,-0.5 -1,-0.3 289,-0.2 -2,-0.1 0.576 63.2 97.1 -95.5 -12.4 20.0 -14.4 -30.2 68 150 A K S < S- 0 0 118 -3,-2.4 2,-1.9 1,-0.2 -1,-0.2 0.475 74.7-148.4 -55.5 -12.9 23.4 -12.9 -29.3 69 151 A D S S+ 0 0 79 -3,-0.3 2,-0.4 2,-0.0 -1,-0.2 -0.437 70.0 46.1 80.4 -71.7 23.3 -13.8 -25.5 70 152 A R + 0 0 89 -2,-1.9 44,-0.1 -3,-0.0 27,-0.0 -0.875 63.5 134.4-112.6 144.1 25.2 -11.0 -24.0 71 153 A S - 0 0 11 -2,-0.4 44,-0.2 3,-0.1 3,-0.1 -0.956 61.1-101.6-169.6 170.3 25.0 -7.2 -24.7 72 154 A P S S+ 0 0 94 0, 0.0 -17,-0.1 0, 0.0 24,-0.0 0.667 112.0 62.5 -81.3 -12.3 24.8 -3.9 -22.9 73 155 A F S S+ 0 0 122 -19,-0.1 -18,-0.2 22,-0.1 23,-0.1 0.843 75.1 101.3 -80.4 -36.0 21.0 -3.6 -23.3 74 156 A R + 0 0 3 -20,-0.2 22,-0.4 21,-0.1 2,-0.3 -0.282 49.1 174.8 -54.8 129.0 19.9 -6.7 -21.4 75 157 A T - 0 0 21 -22,-0.5 -22,-1.9 20,-0.3 2,-0.5 -0.991 34.1-112.6-137.8 143.6 18.7 -5.8 -17.9 76 158 A L E +GH 52 94D 0 18,-4.2 17,-2.2 -2,-0.3 18,-1.5 -0.657 46.6 161.0 -79.9 124.6 17.1 -7.9 -15.1 77 159 A M E -GH 51 92D 17 -26,-1.0 -26,-2.6 -2,-0.5 2,-0.3 -0.885 18.6-153.6-136.4 166.6 13.5 -7.0 -14.5 78 160 A S E -GH 50 91D 0 13,-2.4 13,-2.5 -2,-0.3 2,-0.3 -0.962 11.4-175.8-144.9 160.9 10.5 -8.7 -12.9 79 161 A V E -G 49 0D 1 -30,-1.4 -30,-3.5 -2,-0.3 11,-0.1 -0.951 46.8 -77.6-148.3 160.9 6.7 -9.0 -12.8 80 162 A E E > -G 48 0D 93 -2,-0.3 3,-1.3 -32,-0.3 -32,-0.3 -0.332 68.8 -83.6 -61.8 145.6 4.2 -10.9 -10.6 81 163 A V T 3 S+ 0 0 27 -34,-2.0 2,-2.2 1,-0.2 -1,-0.1 0.049 114.7 22.8 -43.1 160.9 4.0 -14.6 -11.7 82 164 A G T 3 S+ 0 0 21 1,-0.2 -1,-0.2 -3,-0.1 280,-0.1 -0.048 95.6 111.3 70.2 -41.1 1.7 -15.4 -14.7 83 165 A Q S < S- 0 0 60 -2,-2.2 -1,-0.2 -3,-1.3 -62,-0.2 -0.382 75.6-114.3 -64.8 145.1 1.9 -11.8 -15.9 84 166 A S - 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