==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-10 3NSS . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR Q.LI,J.X.QI,W.ZHANG,C.J.VAVRICKA,Y.SHI,G.F.GAO . 774 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 33.6 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 . 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 . 53 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 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 RESIDUES PER ALPHA HELIX . 4 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 . 2 0 2 6 6 16 4 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 . 0 0 8 4 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 S 0 0 137 0, 0.0 2,-0.4 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 123.7 13.3 45.4 27.4 2 83 A V - 0 0 111 104,-0.5 3,-0.1 328,-0.0 328,-0.0 -0.986 360.0-109.3-131.3 139.6 16.9 46.4 27.7 3 84 A K - 0 0 110 -2,-0.4 103,-0.3 1,-0.1 2,-0.1 -0.308 42.7 -97.3 -66.7 149.0 20.0 44.6 26.5 4 85 A L - 0 0 4 101,-2.0 150,-1.5 1,-0.1 151,-0.5 -0.436 25.1-149.6 -67.4 135.9 22.3 43.0 29.1 5 86 A A - 0 0 31 148,-0.2 149,-0.5 149,-0.1 -1,-0.1 0.973 12.7-171.8 -70.4 -56.6 25.3 45.1 30.1 6 87 A G + 0 0 3 147,-0.2 199,-2.7 196,-0.1 200,-0.2 0.700 48.8 116.3 70.3 21.2 27.8 42.3 30.9 7 88 A N + 0 0 108 197,-0.3 2,-0.1 198,-0.1 -1,-0.1 0.476 48.1 88.7-102.3 -3.9 30.3 44.9 32.2 8 89 A S S S- 0 0 23 1,-0.1 196,-3.0 196,-0.1 197,-0.3 -0.423 79.5-101.2 -89.2 168.7 30.4 43.9 35.9 9 90 A S - 0 0 69 326,-0.3 328,-2.7 194,-0.2 2,-0.1 -0.405 41.8 -88.0 -85.0 162.8 32.8 41.3 37.4 10 91 A L B -a 337 0A 9 326,-0.2 328,-0.2 261,-0.1 -1,-0.1 -0.454 48.8-107.5 -63.1 140.8 32.0 37.7 38.4 11 92 A a - 0 0 11 326,-3.0 2,-0.1 -2,-0.1 -1,-0.1 -0.607 31.1-125.3 -70.6 120.8 30.6 37.4 41.9 12 93 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.501 35.9-166.4 -62.2 138.9 33.3 35.9 44.2 13 94 A V - 0 0 15 -2,-0.1 355,-0.2 1,-0.1 3,-0.1 -0.959 31.0-163.1-134.5 150.6 31.7 32.9 45.9 14 95 A S S S- 0 0 53 353,-2.1 2,-0.3 -2,-0.3 354,-0.2 0.596 76.2 -9.5-104.0 -15.8 32.6 30.6 48.8 15 96 A G E -B 367 0B 0 352,-1.6 352,-2.5 355,-0.1 2,-0.5 -0.973 67.4 -98.4-170.0 178.4 30.3 27.7 47.9 16 97 A W E -B 366 0B 2 -2,-0.3 356,-0.4 350,-0.2 2,-0.4 -0.953 22.1-158.1-124.5 125.8 27.5 26.4 45.8 17 98 A A E -B 365 0B 5 348,-2.6 348,-2.4 -2,-0.5 2,-0.1 -0.831 33.1-104.9-102.4 136.2 23.8 26.1 46.8 18 99 A I E +B 364 0B 8 -2,-0.4 346,-0.3 346,-0.2 466,-0.3 -0.368 39.7 173.9 -66.2 133.9 21.5 23.7 45.0 19 100 A Y E - 0 0 11 344,-3.3 2,-0.3 1,-0.3 345,-0.2 0.801 55.0 -2.5-110.9 -45.9 19.2 25.4 42.5 20 101 A S E -B 363 0B 0 343,-1.5 343,-2.0 463,-0.1 -1,-0.3 -0.989 41.3-178.0-150.3 158.4 17.3 22.7 40.6 21 102 A K E -B 362 0B 1 -2,-0.3 341,-0.2 341,-0.2 462,-0.1 -0.885 4.9-171.5-154.5 127.9 16.8 19.0 40.0 22 103 A D - 0 0 6 339,-1.6 63,-0.1 -2,-0.3 5,-0.1 0.682 19.1-148.9 -99.0 -18.5 14.4 17.6 37.5 23 104 A N > + 0 0 3 338,-0.5 4,-2.3 1,-0.1 5,-0.3 0.834 36.2 162.7 54.4 34.1 14.4 13.8 38.3 24 105 A S H > + 0 0 2 1,-0.2 4,-2.3 2,-0.2 336,-0.1 0.855 64.9 44.2 -56.3 -45.9 13.7 13.3 34.5 25 106 A V H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.902 112.6 51.2 -71.8 -41.1 14.7 9.6 34.3 26 107 A R H >4 S+ 0 0 19 352,-0.3 3,-0.9 1,-0.2 4,-0.3 0.941 116.5 41.4 -57.1 -48.2 12.8 8.5 37.4 27 108 A I H >X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 3,-1.6 0.868 106.0 64.0 -69.7 -36.3 9.7 10.3 36.2 28 109 A G H 3< S+ 0 0 1 -4,-2.3 5,-0.3 1,-0.3 -1,-0.2 0.595 80.3 83.0 -65.7 -11.9 10.1 9.1 32.6 29 110 A S T << S- 0 0 9 -3,-0.9 -1,-0.3 -4,-0.6 356,-0.2 0.863 121.1 -0.3 -58.5 -36.2 9.7 5.5 33.8 30 111 A K T <4 S+ 0 0 51 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.679 122.6 75.3-119.1 -43.0 5.9 6.1 33.6 31 112 A G S < S- 0 0 2 -4,-2.8 2,-1.2 -5,-0.1 28,-0.1 -0.102 92.2 -95.3 -71.1 170.5 5.5 9.7 32.4 32 113 A D + 0 0 49 26,-0.1 2,-0.4 388,-0.0 57,-0.3 -0.725 61.2 158.9 -91.1 92.3 5.9 11.0 28.9 33 114 A V - 0 0 0 -2,-1.2 26,-2.9 -5,-0.3 54,-0.2 -0.956 39.8-114.7-123.3 131.0 9.5 12.3 29.1 34 115 A F E -E 58 0C 23 52,-2.9 2,-0.6 -2,-0.4 24,-0.3 -0.268 24.3-119.2 -59.0 143.0 11.8 12.9 26.2 35 116 A V E + 0 0 0 22,-2.8 20,-1.4 323,-0.1 22,-0.4 -0.788 54.4 169.4 -74.5 122.6 15.0 10.9 25.8 36 117 A I E +E 54 0C 2 -2,-0.6 323,-1.1 18,-0.2 2,-0.3 -0.903 27.1 178.4-136.1 163.6 17.6 13.7 26.0 37 118 A R E +E 53 0C 21 16,-1.7 16,-2.1 -2,-0.3 321,-0.0 -0.941 62.8 41.6-150.8 173.7 21.2 14.5 26.3 38 119 A E E - 0 0 9 -2,-0.3 2,-0.2 14,-0.2 -1,-0.1 0.936 69.7-179.9 53.5 53.1 23.4 17.6 26.4 39 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.531 1.9 174.8 -77.1 153.6 21.1 19.6 28.6 40 121 A F E -E 51 0C 3 11,-2.5 11,-3.6 -2,-0.2 2,-0.3 -0.981 23.4-128.0-154.3 156.5 22.1 23.1 29.5 41 122 A I E +E 50 0C 2 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.809 24.6 171.0-107.2 145.9 20.7 26.1 31.4 42 123 A S E -E 49 0C 0 7,-2.0 7,-2.9 -2,-0.3 2,-0.3 -0.982 16.1-146.1-150.5 147.1 20.4 29.7 30.2 43 124 A b E -E 48 0C 11 283,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.819 6.3-159.9-120.3 151.6 18.6 32.7 31.6 44 125 A S - 0 0 10 3,-3.6 284,-0.1 -2,-0.3 63,-0.0 -0.513 49.8 -90.6-106.7-176.7 16.8 35.8 30.4 45 126 A P S S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.590 128.8 34.1 -69.6 -5.5 16.2 39.0 32.5 46 127 A L S S+ 0 0 152 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.726 123.7 0.7-117.2 -36.7 12.9 37.3 33.5 47 128 A E - 0 0 78 2,-0.0 -3,-3.6 34,-0.0 2,-0.4 -0.937 55.4-120.1-151.5 169.7 13.5 33.5 33.8 48 129 A b E -E 43 0C 10 -2,-0.3 34,-1.6 -5,-0.3 2,-0.3 -0.963 29.6-168.5-118.4 137.0 15.8 30.6 33.5 49 130 A R E -EF 42 81C 12 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.6 -0.907 20.8-129.4-126.2 151.7 15.2 27.7 31.1 50 131 A T E -EF 41 80C 4 30,-3.3 30,-2.1 -2,-0.3 2,-0.3 -0.896 24.4-164.0 -98.3 119.4 16.6 24.2 30.5 51 132 A F E +EF 40 79C 0 -11,-3.6 -11,-2.5 -2,-0.6 2,-0.3 -0.705 15.9 167.9 -95.8 155.4 17.6 23.6 26.9 52 133 A F E - F 0 78C 1 26,-2.1 26,-2.4 -2,-0.3 2,-0.7 -0.989 37.5-116.6-163.6 155.0 18.2 20.1 25.6 53 134 A L E -EF 37 77C 0 -16,-2.1 -16,-1.7 -2,-0.3 24,-0.2 -0.895 33.6-158.0 -99.5 114.0 18.8 17.9 22.6 54 135 A T E -E 36 0C 1 22,-2.6 22,-0.5 -2,-0.7 -18,-0.2 -0.357 20.0-141.0 -79.9 167.5 16.0 15.3 22.2 55 136 A Q E - 0 0 19 -20,-1.4 20,-0.2 2,-0.4 -19,-0.1 0.156 51.1-106.4-108.0 12.5 16.3 12.1 20.2 56 137 A G E S+ 0 0 49 -21,-0.3 2,-0.3 1,-0.3 19,-0.1 0.834 92.1 91.9 64.2 33.6 12.7 12.6 18.9 57 138 A A E - 0 0 9 -22,-0.4 -22,-2.8 7,-0.1 -2,-0.4 -0.969 70.0-119.5-152.3 163.0 11.6 9.8 21.3 58 139 A L E > -E 34 0C 43 -2,-0.3 3,-1.2 -24,-0.3 6,-0.3 -0.769 36.5 -95.0-108.9 154.0 10.3 9.1 24.8 59 140 A L T 3 S+ 0 0 8 -26,-2.9 -26,-0.2 -2,-0.3 3,-0.1 -0.331 108.0 20.2 -62.0 144.4 11.7 7.1 27.6 60 141 A N T 3 S+ 0 0 37 1,-0.3 2,-0.3 -28,-0.1 -1,-0.2 0.688 101.2 112.0 66.9 20.1 10.5 3.5 27.9 61 142 A D S X S- 0 0 67 -3,-1.2 3,-1.9 1,-0.1 -1,-0.3 -0.893 79.4-115.4-118.2 156.0 9.3 3.5 24.3 62 143 A K G > S+ 0 0 144 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.770 109.5 68.7 -61.7 -26.5 10.9 1.4 21.5 63 144 A H G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.579 83.4 72.6 -72.8 -7.0 12.0 4.5 19.6 64 145 A S G X S+ 0 0 0 -3,-1.9 3,-1.5 -6,-0.3 293,-0.3 0.480 72.9 124.0 -80.1 -2.7 14.6 5.2 22.4 65 146 A N T < S+ 0 0 108 -3,-1.8 291,-0.2 1,-0.3 290,-0.0 -0.382 77.9 6.2 -62.1 128.5 16.5 2.2 20.9 66 147 A G T > S+ 0 0 39 289,-2.3 3,-1.7 -2,-0.1 -1,-0.3 0.684 77.9 146.9 75.3 20.3 20.0 3.0 19.9 67 148 A T T < + 0 0 9 -3,-1.5 289,-0.1 288,-0.6 -1,-0.1 0.302 49.3 90.4 -75.9 12.5 19.9 6.5 21.4 68 149 A I T 3 + 0 0 83 287,-0.3 -1,-0.3 288,-0.0 2,-0.1 0.681 67.0 103.4 -72.6 -17.6 23.6 6.2 22.3 69 150 A K < - 0 0 122 -3,-1.7 288,-0.1 1,-0.1 3,-0.1 -0.435 64.4-154.0 -69.6 136.8 24.1 7.7 18.8 70 151 A D + 0 0 81 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.862 69.1 41.8 -82.6 -39.0 25.0 11.4 18.8 71 152 A R + 0 0 73 3,-0.0 -1,-0.1 44,-0.0 44,-0.1 -0.907 59.5 132.4-122.9 140.7 23.7 12.7 15.4 72 153 A S > - 0 0 15 -2,-0.4 3,-0.8 3,-0.1 44,-0.1 -0.957 61.2-104.0-170.4 163.0 20.6 12.0 13.4 73 154 A P T 3 S+ 0 0 88 0, 0.0 -2,-0.0 0, 0.0 25,-0.0 0.524 114.4 63.3 -73.9 -3.3 17.9 13.9 11.5 74 155 A Y T 3 S+ 0 0 165 -19,-0.1 2,-0.1 22,-0.1 -20,-0.1 0.642 75.4 104.3 -95.7 -17.8 15.5 13.4 14.4 75 156 A R < - 0 0 2 -3,-0.8 22,-1.4 -20,-0.2 2,-0.3 -0.422 48.2-178.5 -70.8 137.5 17.3 15.3 17.1 76 157 A T E - G 0 96C 26 -22,-0.5 -22,-2.6 20,-0.3 2,-0.5 -0.987 29.1-121.6-137.0 146.9 15.9 18.7 18.0 77 158 A L E +FG 53 95C 0 18,-3.4 17,-2.4 -2,-0.3 18,-1.9 -0.776 43.4 162.5 -84.4 123.9 16.8 21.5 20.4 78 159 A M E -FG 52 93C 19 -26,-2.4 -26,-2.1 -2,-0.5 2,-0.3 -0.846 19.8-152.7-133.2 171.7 13.9 22.2 22.8 79 160 A S E +FG 51 92C 0 13,-2.0 13,-3.4 -2,-0.3 -28,-0.2 -0.993 10.9 177.4-146.7 154.0 13.5 24.0 26.1 80 161 A C E -F 50 0C 1 -30,-2.1 -30,-3.3 -2,-0.3 11,-0.1 -0.950 47.1 -70.8-146.1 165.3 11.4 24.0 29.3 81 162 A P E > -F 49 0C 36 0, 0.0 3,-1.6 0, 0.0 -32,-0.2 -0.278 67.1 -90.2 -56.0 145.9 11.3 25.8 32.6 82 163 A I T 3 S+ 0 0 23 -34,-1.6 399,-0.3 1,-0.2 3,-0.1 -0.302 110.7 21.1 -61.6 137.8 14.2 24.9 34.9 83 164 A G T 3 S+ 0 0 3 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.248 98.2 111.4 91.3 -13.8 13.5 22.0 37.2 84 165 A E S < S- 0 0 25 -3,-1.6 -1,-0.3 397,-0.1 -62,-0.1 -0.654 76.1-103.4 -91.8 150.3 10.7 20.6 35.1 85 166 A V - 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