==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-04 1W1X . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR E.RUDINO-PINERA,P.TUNNAH,S.J.CRENNELL,R.G.WEBSTER,W.G.LAVER, . 1556 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 501 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 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 . 124 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 . 10 4 0 12 8 34 2 4 4 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 22 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 88 A R 0 0 161 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 112.7 32.1 -25.6 62.9 2 89 A T - 0 0 108 104,-0.2 2,-0.2 105,-0.0 152,-0.0 -0.878 360.0 -71.8-139.5 169.7 33.5 -25.6 59.3 3 90 A F - 0 0 64 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.426 54.9-125.8 -61.0 128.2 34.6 -23.4 56.4 4 91 A L - 0 0 17 101,-2.3 150,-2.8 -2,-0.2 151,-0.5 -0.560 26.5-164.3 -71.1 146.3 31.6 -21.8 54.9 5 92 A N - 0 0 58 148,-0.3 3,-0.3 -2,-0.2 148,-0.1 -0.954 22.1-130.5-131.6 162.2 31.0 -22.2 51.2 6 93 A L + 0 0 0 -2,-0.3 199,-3.0 1,-0.2 200,-0.3 -0.115 61.7 123.2-102.8 35.1 28.7 -20.3 48.8 7 94 A T + 0 0 103 197,-0.3 -1,-0.2 196,-0.1 199,-0.0 0.888 50.1 93.2 -68.3 -30.5 26.9 -23.2 47.0 8 95 A K S S- 0 0 73 -3,-0.3 196,-2.7 195,-0.1 197,-0.3 -0.096 75.6-121.2 -59.9 153.2 23.3 -22.0 47.9 9 96 A P - 0 0 80 0, 0.0 330,-2.6 0, 0.0 2,-0.2 -0.569 34.5 -88.5 -86.9 162.5 21.4 -19.7 45.5 10 97 A L B -a 339 0A 12 328,-0.2 330,-0.2 -2,-0.2 2,-0.1 -0.484 46.7-112.2 -64.4 139.4 20.0 -16.2 46.3 11 98 A a - 0 0 11 328,-2.2 2,-0.2 -2,-0.2 -1,-0.1 -0.375 35.2 -96.6 -68.5 152.4 16.5 -16.1 47.8 12 99 A E - 0 0 93 -2,-0.1 2,-0.5 328,-0.1 -1,-0.1 -0.448 42.6-158.0 -62.4 142.0 13.6 -14.6 45.9 13 100 A V + 0 0 2 -2,-0.2 358,-0.2 1,-0.1 3,-0.1 -0.966 31.7 154.3-134.8 120.4 13.1 -11.0 46.9 14 101 A N S S- 0 0 58 356,-3.1 2,-0.3 -2,-0.5 357,-0.2 0.598 73.7 -2.0-113.8 -21.1 9.8 -9.0 46.5 15 102 A S E S-B 370 0B 6 355,-1.5 355,-2.4 358,-0.1 2,-0.4 -0.931 72.4-104.4-158.3 174.6 10.1 -6.4 49.3 16 103 A W E -B 369 0B 4 -2,-0.3 2,-0.3 353,-0.2 353,-0.2 -0.955 23.4-157.6-117.9 126.8 12.4 -5.4 52.2 17 104 A H E -B 368 0B 5 351,-3.1 351,-2.3 -2,-0.4 2,-0.1 -0.730 32.1-100.6 -99.5 148.4 11.8 -6.1 56.0 18 105 A I E +B 367 0B 9 -2,-0.3 349,-0.3 349,-0.2 468,-0.2 -0.437 40.3 172.3 -72.3 130.3 13.5 -4.0 58.8 19 106 A L E - 0 0 8 347,-3.0 2,-0.3 1,-0.4 348,-0.2 0.790 58.8 -23.6-101.3 -50.0 16.5 -5.8 60.3 20 107 A S E -B 366 0B 1 346,-2.0 346,-2.8 465,-0.1 -1,-0.4 -0.986 45.7-174.3-159.0 163.9 18.0 -3.3 62.7 21 108 A K E -B 365 0B 2 -2,-0.3 344,-0.2 344,-0.2 64,-0.0 -0.918 7.1-165.5-162.2 134.6 18.4 0.4 63.4 22 109 A D - 0 0 4 342,-1.6 5,-0.2 -2,-0.3 343,-0.1 0.522 17.4-148.6-107.9 -8.5 20.6 2.0 66.1 23 110 A N > + 0 0 8 341,-0.5 4,-2.3 1,-0.1 5,-0.2 0.851 34.7 163.7 48.8 40.7 19.4 5.6 66.4 24 111 A A H > + 0 0 3 1,-0.2 4,-3.0 2,-0.2 -1,-0.1 0.840 66.0 48.8 -69.5 -39.8 23.0 6.6 67.3 25 112 A I H > S+ 0 0 3 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.948 112.9 49.0 -68.2 -43.5 22.7 10.4 66.7 26 113 A R H >4 S+ 0 0 21 355,-0.3 3,-0.6 1,-0.2 422,-0.3 0.926 118.7 37.9 -54.1 -52.7 19.5 10.6 68.8 27 114 A I H >X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 3,-1.4 0.856 111.5 59.9 -70.1 -36.4 21.0 8.6 71.7 28 115 A G H 3< S+ 0 0 0 -4,-3.0 32,-0.4 1,-0.3 5,-0.3 0.469 82.6 81.2 -73.9 -3.4 24.5 10.3 71.3 29 116 A E T << S+ 0 0 15 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.1 0.781 120.7 2.3 -66.1 -24.8 22.9 13.8 71.9 30 117 A D T <4 S+ 0 0 42 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.627 122.6 65.5-130.4 -45.7 23.1 12.8 75.7 31 118 A A S < S- 0 0 1 -4,-2.5 2,-1.1 1,-0.1 29,-0.3 -0.283 99.6 -92.3 -79.4-178.3 24.7 9.4 76.2 32 119 A H + 0 0 14 27,-0.1 2,-0.5 26,-0.1 -4,-0.1 -0.778 56.2 172.0-107.5 92.8 28.3 9.1 75.3 33 120 A I - 0 0 4 -2,-1.1 26,-2.8 -5,-0.3 54,-0.3 -0.905 31.6-118.2-111.1 130.6 28.4 7.8 71.7 34 121 A L B -E 58 0C 9 52,-2.6 2,-0.5 -2,-0.5 24,-0.3 -0.242 27.6-117.1 -60.0 141.4 31.5 7.6 69.5 35 122 A V + 0 0 0 22,-3.1 20,-2.1 326,-0.1 21,-0.3 -0.781 49.6 163.1 -78.5 137.5 31.6 9.6 66.4 36 123 A T + 0 0 3 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.664 23.1 178.1-137.9-174.4 31.8 7.3 63.3 37 124 A R + 0 0 23 16,-0.4 16,-2.4 -2,-0.2 325,-0.1 -0.875 60.9 51.2-177.2 174.0 31.4 7.0 59.6 38 125 A E S S+ 0 0 9 -2,-0.3 62,-0.1 14,-0.2 2,-0.1 0.926 74.3 174.3 50.8 55.6 31.8 4.3 56.9 39 126 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.303 11.5 157.0 -81.9 170.5 29.6 1.7 58.7 40 127 A Y E -F 51 0D 0 11,-2.0 11,-2.8 108,-0.1 2,-0.3 -0.944 32.1-115.2-168.7-178.6 28.5 -1.8 57.6 41 128 A L E -F 50 0D 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.935 23.1-178.1-127.4 156.6 27.3 -5.1 59.1 42 129 A S E -F 49 0D 0 7,-2.0 7,-2.9 -2,-0.3 2,-0.2 -0.967 11.7-149.8-150.4 146.1 28.9 -8.6 58.9 43 130 A b E -F 48 0D 1 287,-0.5 61,-0.4 -2,-0.3 5,-0.3 -0.539 12.3-178.8-115.0 171.7 27.6 -11.9 60.3 44 131 A D E > -F 47 0D 26 3,-2.9 3,-0.8 -2,-0.2 289,-0.2 -0.885 55.2 -70.5-153.1-177.2 29.0 -15.3 61.7 45 132 A P T 3 S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 286,-0.0 0.741 130.3 48.6 -56.4 -18.1 27.5 -18.6 63.0 46 133 A Q T 3 S- 0 0 129 1,-0.2 2,-0.3 473,-0.0 -3,-0.0 0.724 123.0 -75.9 -98.0 -23.7 26.3 -16.8 66.1 47 134 A G E < -F 44 0D 16 -3,-0.8 -3,-2.9 2,-0.0 2,-0.3 -0.955 57.7 -59.4 164.5-145.6 24.5 -13.7 64.6 48 135 A b E -F 43 0D 25 -2,-0.3 34,-1.0 -5,-0.3 2,-0.3 -0.971 37.2-163.3-133.5 153.6 25.4 -10.4 63.1 49 136 A R E -FG 42 81D 46 -7,-2.9 -7,-2.0 -2,-0.3 2,-0.3 -0.892 19.9-119.8-130.5 157.3 27.3 -7.3 64.4 50 137 A M E -FG 41 80D 0 30,-2.2 30,-1.8 -2,-0.3 2,-0.3 -0.744 28.8-169.8 -94.3 149.4 27.6 -3.7 63.3 51 138 A F E +FG 40 79D 0 -11,-2.8 -11,-2.0 -2,-0.3 2,-0.3 -0.924 13.8 150.4-131.0 158.4 31.0 -2.2 62.3 52 139 A A E - G 0 78D 0 26,-1.7 26,-2.7 -2,-0.3 2,-0.9 -0.947 48.0 -93.3-175.6 166.3 32.3 1.4 61.5 53 140 A L E - G 0 77D 0 -16,-2.4 -16,-0.4 -2,-0.3 24,-0.2 -0.785 39.8-149.8 -92.7 105.8 35.4 3.6 61.7 54 141 A S E - G 0 76D 7 22,-2.6 22,-0.9 -2,-0.9 -18,-0.2 -0.326 10.1-149.1 -60.3 157.2 35.5 5.5 65.0 55 142 A Q - 0 0 11 -20,-2.1 20,-0.2 2,-0.4 -19,-0.1 0.175 46.1-111.0-104.6 10.3 37.1 9.0 65.0 56 143 A G S S+ 0 0 1 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.876 87.6 78.3 59.2 52.8 38.2 8.4 68.7 57 144 A T S S- 0 0 0 -22,-0.3 -22,-3.1 750,-0.1 -2,-0.4 -0.915 80.0-104.3-171.8 155.4 36.0 10.9 70.4 58 145 A T B -E 34 0C 1 748,-0.3 3,-0.5 -24,-0.3 -24,-0.3 -0.417 33.6-111.0 -84.2 165.7 32.3 11.0 71.5 59 146 A L S S+ 0 0 4 -26,-2.8 -25,-0.1 1,-0.2 -30,-0.1 0.875 116.9 42.5 -71.1 -45.0 29.6 13.0 69.6 60 147 A R S S+ 0 0 88 -32,-0.4 -1,-0.2 -29,-0.3 -26,-0.1 0.475 96.5 104.3 -75.9 -11.2 29.0 15.6 72.3 61 148 A G S > S- 0 0 7 -3,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.295 82.2-116.6 -71.7 156.3 32.8 15.9 73.1 62 149 A R G > S+ 0 0 138 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.836 112.2 66.0 -62.2 -29.2 35.0 18.9 72.0 63 150 A H G 3 S+ 0 0 6 743,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.465 80.9 80.4 -73.6 -1.5 37.1 16.6 69.9 64 151 A A G X S+ 0 0 1 -3,-1.8 3,-2.0 -6,-0.1 296,-0.3 0.766 70.4 100.9 -68.4 -23.9 34.1 16.0 67.6 65 152 A N T < S+ 0 0 76 -3,-1.4 294,-0.2 -4,-0.3 293,-0.0 -0.438 85.2 21.2 -67.6 121.5 34.9 19.3 66.1 66 153 A G T > S+ 0 0 37 292,-2.4 3,-1.6 -2,-0.3 -1,-0.3 0.479 77.9 135.4 103.7 5.5 36.7 18.7 62.8 67 154 A T T < + 0 0 8 -3,-2.0 292,-0.1 291,-0.4 -2,-0.1 0.401 50.3 84.3 -76.4 4.4 35.4 15.2 62.2 68 155 A I T 3 + 0 0 81 290,-0.4 -1,-0.3 284,-0.0 2,-0.1 0.774 69.7 102.4 -63.9 -25.7 34.6 15.8 58.5 69 156 A H < - 0 0 119 -3,-1.6 291,-0.1 1,-0.1 3,-0.1 -0.382 64.9-155.8 -63.4 129.8 38.3 15.0 58.0 70 157 A D + 0 0 74 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.801 67.2 49.4 -79.9 -38.4 38.6 11.4 56.7 71 158 A R + 0 0 60 3,-0.0 -1,-0.1 44,-0.0 47,-0.1 -0.949 60.0 132.2-124.6 127.4 42.1 10.3 57.8 72 159 A S > - 0 0 13 -2,-0.4 3,-1.0 -3,-0.1 44,-0.1 -0.957 60.9-110.6-160.3 158.4 43.9 10.5 61.2 73 160 A P T 3 S+ 0 0 13 0, 0.0 1084,-0.0 0, 0.0 -18,-0.0 0.407 112.2 68.4 -79.4 7.9 45.9 8.3 63.7 74 161 A F T 3 S+ 0 0 26 -19,-0.1 2,-0.2 1088,-0.1 727,-0.0 0.412 77.9 95.0-103.3 0.7 42.8 8.4 65.9 75 162 A R < + 0 0 3 -3,-1.0 22,-0.7 -20,-0.2 2,-0.3 -0.547 46.8 170.0 -91.9 157.3 40.5 6.4 63.8 76 163 A A E -GH 54 96D 7 -22,-0.9 -22,-2.6 20,-0.2 2,-0.5 -0.946 39.0-103.9-160.8 146.8 39.9 2.6 64.2 77 164 A L E -GH 53 95D 0 18,-1.5 17,-2.8 -2,-0.3 18,-1.0 -0.599 44.2-178.1 -71.2 127.4 37.6 -0.2 63.1 78 165 A I E -GH 52 93D 5 -26,-2.7 -26,-1.7 -2,-0.5 2,-0.3 -0.915 11.0-166.4-125.2 149.7 35.1 -1.0 65.9 79 166 A S E +GH 51 92D 0 13,-1.9 13,-2.9 -2,-0.3 2,-0.3 -0.904 11.0 171.1-129.2 162.4 32.3 -3.7 66.0 80 167 A W E -G 50 0D 0 -30,-1.8 -30,-2.2 -2,-0.3 11,-0.1 -0.980 44.9 -63.9-166.0 163.0 29.4 -4.1 68.5 81 168 A E E > -G 49 0D 67 9,-0.5 3,-1.3 -2,-0.3 -32,-0.2 -0.360 68.2 -94.7 -63.1 134.9 26.2 -6.1 69.1 82 169 A M T 3 S+ 0 0 28 -34,-1.0 401,-0.5 1,-0.2 -1,-0.1 -0.190 105.9 19.1 -52.8 132.1 23.7 -5.4 66.4 83 170 A G T 3 S+ 0 0 5 1,-0.4 -1,-0.2 -3,-0.1 281,-0.1 -0.084 96.3 105.0 102.3 -36.8 21.1 -2.6 67.3 84 171 A Q S < S- 0 0 23 -3,-1.3 -1,-0.4 399,-0.1 -60,-0.1 -0.365 75.5-110.8 -72.1 162.1 23.0 -0.9 70.1 85 172 A A - 0 0 3 393,-0.3 2,-0.8 -62,-0.1 -4,-0.1 -0.641 38.0-100.8 -88.5 149.0 24.6 2.5 69.5 86 173 A P + 0 0 1 0, 0.0 -52,-2.6 0, 0.0 -6,-0.1 -0.641 53.7 161.1 -78.2 105.2 28.5 2.6 69.5 87 174 A S > - 0 0 0 -2,-0.8 3,-0.8 -54,-0.3 4,-0.4 -0.716 55.9-103.3-109.6 173.4 29.8 3.9 72.9 88 175 A P T 3 S+ 0 0 9 0, 0.0 777,-0.3 0, 0.0 779,-0.1 0.599 117.9 58.5 -66.7 -9.4 33.3 3.5 74.5 89 176 A Y T 3 S+ 0 0 28 1,-0.1 775,-0.0 775,-0.1 778,-0.0 0.626 111.3 30.5-103.7 -10.0 31.7 0.8 76.7 90 177 A N S < S+ 0 0 30 -3,-0.8 -9,-0.5 -5,-0.1 2,-0.4 0.218 93.7 102.9-132.2 18.7 30.4 -1.8 74.3 91 178 A T - 0 0 7 -4,-0.4 2,-0.5 -11,-0.1 -11,-0.2 -0.864 53.8-147.8-113.2 140.2 32.7 -1.7 71.3 92 179 A R E -H 79 0D 107 -13,-2.9 -13,-1.9 -2,-0.4 2,-0.7 -0.882 17.6-131.9-104.7 127.2 35.4 -4.0 70.3 93 180 A V E -H 78 0D 31 -2,-0.5 -15,-0.2 769,-0.4 3,-0.1 -0.728 23.4-178.0 -82.0 117.1 38.5 -2.6 68.4 94 181 A E E - 0 0 21 -17,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.812 64.1 -33.1 -82.4 -40.7 39.1 -4.9 65.4 95 182 A c E -H 77 0D 1 -18,-1.0 -18,-1.5 17,-0.1 2,-0.4 -0.927 68.6 -95.2-172.4 163.5 42.2 -3.2 64.1 96 183 A I E +H 76 0D 5 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.817 68.5 62.5 -96.3 134.5 43.6 0.5 63.9 97 184 A G S S- 0 0 2 -22,-0.7 18,-0.3 -2,-0.4 3,-0.1 -0.980 75.9 -83.1 152.7-164.2 43.2 2.8 60.9 98 185 A W S S+ 0 0 11 16,-3.3 2,-0.3 -2,-0.3 17,-0.1 0.224 99.4 41.3-129.1 11.1 41.0 4.7 58.4 99 186 A S E S+I 114 0E 2 15,-0.7 15,-2.5 45,-0.1 2,-0.3 -0.904 71.3 163.1-155.6 137.4 39.8 2.3 55.8 100 187 A S E -I 113 0E 0 -2,-0.3 47,-2.6 13,-0.2 48,-0.4 -0.914 26.7-172.9-146.0 174.5 38.6 -1.3 56.4 101 188 A T E +I 112 0E 0 11,-1.7 11,-2.2 -2,-0.3 2,-0.3 -0.959 14.6 178.4-157.1 166.9 36.9 -4.5 55.6 102 189 A S E +I 111 0E 0 46,-0.5 48,-1.7 -2,-0.3 2,-0.3 -0.963 5.3 165.9-165.3 160.0 36.0 -7.7 57.5 103 190 A d E -I 110 0E 3 7,-2.4 7,-3.3 -2,-0.3 2,-0.4 -0.957 30.3-118.8-172.6 156.1 34.3 -11.0 57.1 104 191 A H E -I 109 0E 10 -61,-0.4 48,-0.3 -2,-0.3 5,-0.2 -0.903 9.3-158.4-107.7 133.5 34.0 -14.5 58.9 105 192 A D - 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