==== 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 2HT7 . 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) . 14640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 59.2 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 . 133 34.4 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 . 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 . 38 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.9 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 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 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 3 4 4 4 2 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 4 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 83 A T 0 0 143 0, 0.0 2,-0.2 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 176.2 10.5 11.3 10.2 2 84 A Y - 0 0 47 103,-0.1 2,-0.5 151,-0.1 103,-0.3 -0.507 360.0-116.9 -83.0 146.4 13.2 13.4 8.6 3 85 A M - 0 0 6 101,-2.8 150,-1.4 -2,-0.2 151,-0.6 -0.711 20.2-151.0 -79.9 119.9 16.4 12.1 6.9 4 86 A N + 0 0 98 -2,-0.5 149,-1.3 148,-0.2 -1,-0.2 0.978 21.2 174.8 -56.3 -61.9 19.3 13.3 8.9 5 87 A N + 0 0 13 147,-0.2 197,-0.1 1,-0.1 199,-0.1 0.945 35.6 124.0 50.9 55.6 21.8 13.4 6.0 6 88 A T + 0 0 53 197,-0.1 -1,-0.1 195,-0.1 146,-0.1 0.299 43.6 107.6-120.3 -0.5 24.6 15.0 8.1 7 89 A E S S- 0 0 53 196,-0.2 196,-1.8 1,-0.1 197,-0.4 -0.179 75.1 -99.4 -75.7 168.6 27.1 12.2 7.4 8 90 A A - 0 0 37 194,-0.3 330,-2.3 328,-0.2 -1,-0.1 -0.543 43.7 -93.5 -88.1 155.4 30.2 12.4 5.2 9 91 A I B -a 338 0A 16 328,-0.2 330,-0.2 -2,-0.2 2,-0.1 -0.451 48.9-106.8 -65.9 140.3 30.2 11.2 1.6 10 92 A a - 0 0 4 328,-2.4 2,-0.8 -2,-0.1 -1,-0.1 -0.465 27.7-118.2 -70.9 142.5 31.5 7.6 1.5 11 93 A D - 0 0 97 -2,-0.1 2,-0.3 328,-0.1 -1,-0.1 -0.739 41.3-174.2 -84.0 110.7 35.0 7.2 0.1 12 94 A A - 0 0 0 -2,-0.8 357,-0.2 1,-0.1 356,-0.1 -0.792 29.5-158.8-110.3 151.0 34.6 5.0 -3.0 13 95 A K S S- 0 0 101 355,-1.3 2,-0.3 -2,-0.3 356,-0.2 0.584 78.6 -20.2 -99.3 -17.5 37.2 3.5 -5.4 14 96 A G S S- 0 0 0 354,-1.1 2,-0.3 353,-0.4 -1,-0.3 -0.950 70.1-103.1-172.0-179.9 34.8 3.1 -8.3 15 97 A F - 0 0 0 -2,-0.3 352,-0.2 357,-0.2 353,-0.1 -0.930 19.8-145.7-126.4 150.1 31.1 2.9 -9.1 16 98 A A E -B 366 0B 31 350,-1.8 350,-1.7 -2,-0.3 2,-0.2 -0.864 34.7 -94.0-113.8 145.7 28.8 -0.0 -9.9 17 99 A P E +B 365 0B 65 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.371 38.1 178.4 -59.5 124.0 25.8 -0.0 -12.3 18 100 A F E - 0 0 86 346,-4.1 2,-0.2 1,-0.3 347,-0.2 0.913 59.3 -32.1 -87.5 -60.8 22.6 0.7 -10.4 19 101 A S E -B 364 0B 22 345,-0.8 345,-1.6 64,-0.0 -1,-0.3 -0.863 40.9-154.3-150.1-178.2 20.1 0.7 -13.3 20 102 A K E -B 363 0B 56 -2,-0.2 343,-0.2 343,-0.2 64,-0.1 -0.802 5.4-162.1-165.6 121.3 19.4 1.4 -17.0 21 103 A D - 0 0 12 341,-1.1 63,-0.3 -2,-0.2 5,-0.1 0.844 12.9-154.9 -80.3 -33.7 16.0 2.1 -18.4 22 104 A N > + 0 0 54 340,-0.4 4,-2.4 61,-0.1 5,-0.3 0.850 35.3 158.2 60.2 33.4 16.5 1.4 -22.1 23 105 A G H > + 0 0 1 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.934 62.6 48.3 -55.1 -53.3 13.7 3.8 -22.7 24 106 A I H 4 S+ 0 0 2 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.894 113.0 46.3 -59.0 -43.9 14.5 4.8 -26.2 25 107 A R H >4 S+ 0 0 136 354,-0.2 3,-2.1 1,-0.2 4,-0.4 0.979 117.8 44.3 -60.6 -54.1 15.0 1.2 -27.5 26 108 A I H >X S+ 0 0 76 -4,-2.4 4,-3.3 1,-0.3 3,-1.8 0.902 104.3 66.0 -53.8 -43.3 11.7 0.2 -25.7 27 109 A G T 3< S+ 0 0 0 -4,-3.7 -1,-0.3 1,-0.3 5,-0.2 0.550 80.2 80.0 -58.3 -9.3 10.2 3.4 -27.1 28 110 A S T <4 S+ 0 0 54 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.916 121.9 1.7 -64.6 -41.8 10.5 2.0 -30.5 29 111 A R T <4 S+ 0 0 231 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.1 0.655 123.0 76.6-115.8 -29.6 7.3 -0.1 -29.8 30 112 A G S < S- 0 0 24 -4,-3.3 2,-0.9 -5,-0.2 28,-0.0 -0.091 89.3-102.1 -77.1-179.7 6.3 1.0 -26.3 31 113 A H + 0 0 93 26,-0.1 56,-2.2 2,-0.0 2,-0.4 -0.751 57.0 164.3-107.1 80.7 4.6 4.1 -25.2 32 114 A I B -E 86 0C 4 -2,-0.9 26,-2.6 54,-0.2 54,-0.3 -0.826 40.8-112.0-104.2 135.5 7.6 6.0 -23.8 33 115 A F E -F 57 0D 24 52,-3.1 2,-0.8 -2,-0.4 24,-0.2 -0.464 25.3-124.2 -67.7 129.3 7.6 9.7 -23.0 34 116 A V E + 0 0 10 22,-2.3 20,-1.2 -2,-0.2 22,-0.4 -0.683 57.9 166.2 -70.9 112.6 9.9 11.7 -25.3 35 117 A I E -F 53 0D 8 -2,-0.8 2,-0.3 18,-0.2 18,-0.2 -0.533 32.0-159.9-124.7-169.7 11.9 13.1 -22.4 36 118 A R E +F 52 0D 40 16,-1.0 16,-2.6 -2,-0.2 324,-0.1 -0.970 64.5 26.7-168.1 159.0 15.1 14.9 -21.3 37 119 A E - 0 0 16 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.910 63.1-168.1 42.7 66.7 17.2 15.5 -18.2 38 120 A P + 0 0 3 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.468 13.6 179.0 -82.2 65.3 16.4 12.3 -16.3 39 121 A F - 0 0 0 -2,-1.5 11,-3.8 10,-0.1 2,-0.4 -0.215 19.3-132.8 -71.1 159.3 17.8 13.0 -12.9 40 122 A V E +G 49 0D 0 9,-0.3 108,-0.5 285,-0.1 2,-0.3 -0.935 25.5 168.9-117.5 134.9 17.6 10.7 -9.9 41 123 A S E -G 48 0D 3 7,-2.0 7,-3.0 -2,-0.4 2,-0.3 -0.966 20.0-142.2-138.0 150.9 16.6 11.4 -6.3 42 124 A b E -G 47 0D 10 -2,-0.3 61,-0.6 5,-0.3 5,-0.3 -0.904 7.4-159.8-122.7 149.6 15.9 9.0 -3.5 43 125 A S - 0 0 6 3,-3.6 65,-0.0 -2,-0.3 61,-0.0 -0.617 50.0 -90.5-110.0 172.1 13.4 8.8 -0.6 44 126 A P S S+ 0 0 33 0, 0.0 3,-0.1 0, 0.0 284,-0.0 0.276 128.1 36.1 -71.4 19.5 14.0 6.6 2.5 45 127 A I S S- 0 0 128 1,-0.4 2,-0.3 287,-0.0 -3,-0.0 0.548 125.3 -0.2-134.1 -39.6 12.2 3.9 0.6 46 128 A E - 0 0 46 2,-0.0 -3,-3.6 34,-0.0 2,-0.5 -0.991 56.4-122.7-155.6 160.0 13.1 4.2 -3.1 47 129 A b E -G 42 0D 7 -2,-0.3 34,-1.8 -5,-0.3 2,-0.3 -0.905 32.0-164.2-106.1 133.5 15.0 6.1 -5.6 48 130 A R E -GH 41 80D 10 -7,-3.0 -7,-2.0 -2,-0.5 2,-0.6 -0.820 17.3-129.4-117.2 158.6 13.0 7.5 -8.5 49 131 A T E -GH 40 79D 5 30,-3.4 30,-1.4 -2,-0.3 2,-0.3 -0.943 23.2-159.5-108.3 117.5 14.1 8.9 -11.8 50 132 A F E + H 0 78D 0 -11,-3.8 2,-0.3 -2,-0.6 28,-0.2 -0.686 18.0 166.7 -95.0 151.9 12.7 12.3 -12.6 51 133 A F E - H 0 77D 2 26,-2.2 26,-2.1 -2,-0.3 2,-0.4 -0.981 34.0-112.3-157.8 164.5 12.5 13.6 -16.2 52 134 A L E -FH 36 76D 0 -16,-2.6 -16,-1.0 -2,-0.3 2,-0.3 -0.879 29.7-164.4-106.7 137.6 11.0 16.3 -18.4 53 135 A T E -FH 35 75D 0 22,-2.3 22,-1.4 -2,-0.4 -18,-0.2 -0.853 23.0-149.4-118.7 155.5 8.4 15.5 -21.0 54 136 A Q E - 0 0 32 -20,-1.2 20,-0.2 2,-0.4 3,-0.1 0.023 56.9-101.5-109.0 24.4 7.1 17.4 -23.9 55 137 A G E S+ 0 0 53 1,-0.2 2,-0.3 18,-0.2 -20,-0.1 0.588 93.1 104.6 67.4 11.3 3.6 15.9 -23.6 56 138 A S E - 0 0 6 -22,-0.4 -22,-2.3 6,-0.1 -2,-0.4 -0.833 62.8-131.3-124.8 161.8 4.5 13.6 -26.5 57 139 A L E > -F 33 0D 41 -2,-0.3 3,-0.9 -24,-0.2 6,-0.2 -0.794 34.3 -93.9-111.1 152.7 5.5 9.9 -27.0 58 140 A L T 3 S+ 0 0 7 -26,-2.6 -26,-0.2 -2,-0.3 3,-0.1 -0.304 109.8 24.7 -60.8 146.3 8.4 8.4 -29.0 59 141 A N T 3 S+ 0 0 43 328,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.757 100.2 113.9 67.8 27.1 7.5 7.4 -32.6 60 142 A D S X S- 0 0 57 -3,-0.9 3,-2.7 327,-0.3 -1,-0.2 -0.965 78.8-119.2-128.4 146.9 4.6 9.9 -32.7 61 143 A K G > S+ 0 0 163 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.856 110.6 69.5 -51.0 -36.4 4.2 13.0 -34.9 62 144 A H G 3 S+ 0 0 118 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.570 83.4 71.6 -60.2 -9.7 4.1 15.1 -31.7 63 145 A S G < + 0 0 2 -3,-2.7 295,-0.4 -6,-0.2 -1,-0.3 0.406 58.1 127.3 -87.1 4.5 7.8 14.3 -31.1 64 146 A N < - 0 0 72 -3,-2.1 2,-1.2 1,-0.2 -1,-0.2 0.547 59.5-148.1 -38.3 -14.3 8.7 16.6 -34.0 65 147 A G S S+ 0 0 36 -3,-0.3 -1,-0.2 1,-0.2 292,-0.1 0.156 73.2 107.5 66.0 -26.7 11.1 18.4 -31.6 66 148 A T + 0 0 107 -2,-1.2 2,-0.3 290,-0.2 -1,-0.2 0.645 54.5 107.4 -57.8 -11.5 10.5 21.7 -33.3 67 149 A V S S- 0 0 47 -5,-0.1 4,-0.1 1,-0.1 -13,-0.0 -0.531 84.2-106.6 -70.0 129.8 8.6 22.5 -30.1 68 150 A K > - 0 0 151 -2,-0.3 3,-1.0 2,-0.1 -1,-0.1 -0.135 19.1-120.8 -56.9 151.9 10.6 24.9 -27.9 69 151 A D T 3 S+ 0 0 107 1,-0.3 2,-1.0 -3,-0.1 5,-0.1 0.953 113.0 46.5 -56.7 -55.0 12.3 23.7 -24.8 70 152 A R T 3 S+ 0 0 89 3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.264 86.4 145.3 -87.2 48.5 10.4 26.0 -22.5 71 153 A S X - 0 0 2 -2,-1.0 3,-0.8 -3,-1.0 44,-0.1 -0.351 63.4-110.6 -81.3 164.5 7.0 25.2 -24.1 72 154 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.431 113.3 63.3 -76.4 1.3 3.8 25.1 -22.1 73 155 A F T 3 S+ 0 0 118 -19,-0.1 2,-0.3 2,-0.0 -18,-0.2 0.648 72.1 114.7 -96.6 -19.4 3.5 21.3 -22.5 74 156 A R < + 0 0 12 -3,-0.8 22,-1.1 -20,-0.2 2,-0.3 -0.344 42.7 172.1 -56.3 112.7 6.7 20.6 -20.5 75 157 A T E -HI 53 95D 26 -22,-1.4 -22,-2.3 20,-0.3 2,-0.5 -0.934 31.0-124.9-126.3 151.9 5.8 18.8 -17.4 76 158 A L E +HI 52 94D 0 18,-4.6 17,-2.6 -2,-0.3 18,-1.0 -0.829 39.9 159.5 -97.0 129.9 7.9 17.1 -14.7 77 159 A M E -HI 51 92D 18 -26,-2.1 -26,-2.2 -2,-0.5 2,-0.3 -0.794 16.9-157.4-137.8 179.3 7.2 13.4 -14.0 78 160 A S E -HI 50 91D 0 13,-1.4 13,-1.6 -2,-0.2 2,-0.3 -0.976 11.0-171.6-156.9 170.1 8.9 10.4 -12.5 79 161 A V E -H 49 0D 0 -30,-1.4 -30,-3.4 -2,-0.3 2,-0.3 -0.943 50.6 -71.4-155.5 166.2 9.2 6.6 -12.2 80 162 A E E > S-H 48 0D 95 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.535 71.9 -87.9 -69.2 126.4 11.1 4.2 -10.0 81 163 A V T 3 S+ 0 0 25 -34,-1.8 -1,-0.1 -2,-0.3 3,-0.1 0.104 116.0 28.4 -32.7 136.5 14.8 4.3 -11.1 82 164 A G T 3 S+ 0 0 23 1,-0.3 2,-0.3 -63,-0.1 -1,-0.3 0.154 94.0 112.1 92.7 -21.9 15.6 1.9 -13.9 83 165 A Q S < S- 0 0 46 -3,-2.3 -1,-0.3 1,-0.1 -62,-0.2 -0.658 75.1-111.7 -85.1 143.7 12.0 2.0 -15.3 84 166 A S - 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