==== 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 1W20 . COMPND 2 MOLECULE: NEURAMINIDASE SUBTYPE N6; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA VIRUS TYPE A; . 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) . 46750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 912 58.6 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 . 509 32.7 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 . 128 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 6.6 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 . 7 5 0 12 4 36 4 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 23 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 88 A R 0 0 157 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 124.9 115.2 23.6 32.6 2 89 A T - 0 0 107 104,-0.3 2,-0.2 0, 0.0 152,-0.0 -0.918 360.0 -77.7-136.1 170.7 111.7 23.9 33.7 3 90 A F - 0 0 65 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.472 53.1-121.4 -66.3 130.4 108.9 21.6 34.9 4 91 A L - 0 0 18 101,-2.3 150,-2.4 -2,-0.2 151,-0.6 -0.540 28.1-164.8 -69.2 143.3 107.3 19.9 31.9 5 92 A N - 0 0 59 148,-0.3 3,-0.3 -2,-0.2 2,-0.2 -0.934 21.8-131.5-128.3 161.0 103.6 20.4 31.2 6 93 A L + 0 0 0 -2,-0.3 199,-3.4 1,-0.2 200,-0.3 -0.191 61.7 123.1-104.1 40.0 101.2 18.5 29.0 7 94 A T + 0 0 96 197,-0.3 -1,-0.2 -2,-0.2 197,-0.1 0.878 49.3 92.3 -75.6 -32.4 99.5 21.3 27.1 8 95 A K S S- 0 0 71 -3,-0.3 196,-2.5 195,-0.1 197,-0.3 -0.120 76.2-118.8 -54.7 149.3 100.4 20.2 23.6 9 96 A P - 0 0 80 0, 0.0 330,-2.7 0, 0.0 2,-0.2 -0.482 34.8 -89.2 -82.9 164.7 98.0 17.9 21.6 10 97 A L B -a 339 0A 14 328,-0.2 330,-0.2 -2,-0.1 2,-0.1 -0.483 46.9-111.5 -67.7 141.1 98.9 14.4 20.3 11 98 A a - 0 0 9 328,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.395 34.7 -99.0 -68.4 150.0 100.4 14.3 16.8 12 99 A E - 0 0 90 -2,-0.1 2,-0.5 357,-0.1 -1,-0.1 -0.472 42.3-159.0 -64.2 137.4 98.5 12.8 14.0 13 100 A V + 0 0 1 -2,-0.2 358,-0.2 1,-0.1 3,-0.1 -0.980 31.1 155.6-130.1 126.5 99.6 9.2 13.4 14 101 A N S S- 0 0 54 356,-3.5 2,-0.3 -2,-0.5 357,-0.2 0.567 74.6 -2.0-119.2 -22.8 99.1 7.2 10.2 15 102 A S E S-B 370 0B 5 355,-1.8 355,-2.5 358,-0.1 2,-0.4 -0.919 72.7-107.6-156.4 178.4 101.9 4.7 10.5 16 103 A W E -B 369 0B 4 -2,-0.3 2,-0.3 353,-0.2 353,-0.2 -0.975 22.5-157.4-122.5 129.7 104.8 3.8 12.8 17 104 A H E -B 368 0B 4 351,-2.5 351,-1.9 -2,-0.4 2,-0.2 -0.699 32.5 -98.3-101.6 156.5 108.5 4.3 12.2 18 105 A I E +B 367 0B 7 -2,-0.3 349,-0.2 349,-0.2 468,-0.2 -0.487 40.9 170.5 -77.9 129.4 111.4 2.3 13.9 19 106 A L E - 0 0 7 347,-3.0 2,-0.3 1,-0.4 348,-0.2 0.778 60.2 -19.8-101.9 -48.0 112.9 4.2 16.9 20 107 A S E -B 366 0B 2 346,-2.1 346,-2.8 465,-0.1 -1,-0.4 -0.990 44.2-176.3-161.5 156.2 115.1 1.6 18.5 21 108 A K E -B 365 0B 2 -2,-0.3 344,-0.2 344,-0.2 64,-0.0 -0.922 7.4-166.5-156.8 133.3 115.9 -2.1 18.9 22 109 A D - 0 0 3 342,-1.7 5,-0.1 -2,-0.3 343,-0.1 0.558 17.4-150.0-105.6 -8.5 118.5 -3.6 21.1 23 110 A N > + 0 0 8 341,-0.6 4,-2.3 1,-0.1 5,-0.3 0.827 33.9 163.8 49.4 37.1 118.8 -7.2 19.9 24 111 A A H > + 0 0 2 1,-0.2 4,-3.2 2,-0.2 339,-0.1 0.828 64.8 48.5 -65.9 -35.4 119.7 -8.2 23.4 25 112 A I H > S+ 0 0 3 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.940 111.5 49.8 -74.4 -40.8 119.1 -12.0 23.1 26 113 A R H >4 S+ 0 0 21 355,-0.3 3,-0.7 2,-0.2 427,-0.3 0.954 120.1 37.4 -55.9 -49.2 121.1 -12.3 19.9 27 114 A I H >X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 3,-2.0 0.920 111.0 58.9 -70.1 -46.3 124.0 -10.4 21.5 28 115 A G H 3< S+ 0 0 0 -4,-3.2 5,-0.4 1,-0.3 32,-0.3 0.569 84.4 81.8 -65.5 -5.8 123.7 -11.9 24.9 29 116 A E T << S+ 0 0 13 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.779 119.3 4.9 -64.8 -27.4 124.2 -15.3 23.4 30 117 A D T <4 S+ 0 0 49 -3,-2.0 -2,-0.2 -4,-0.3 2,-0.2 0.599 123.0 66.0-133.5 -20.2 127.9 -14.5 23.6 31 118 A A S < S- 0 0 1 -4,-2.2 2,-1.2 391,-0.0 29,-0.3 -0.471 96.5 -88.6 -94.7 176.8 128.5 -11.1 25.3 32 119 A H + 0 0 13 -2,-0.2 2,-0.4 27,-0.1 57,-0.3 -0.702 60.3 163.5 -91.6 91.1 127.7 -10.4 28.9 33 120 A I - 0 0 3 -2,-1.2 26,-3.2 -5,-0.4 54,-0.3 -0.936 36.2-118.3-117.9 133.1 124.1 -9.3 28.8 34 121 A L E -E 58 0C 6 52,-2.7 2,-0.4 -2,-0.4 24,-0.3 -0.337 25.3-116.4 -66.4 143.9 121.8 -9.1 31.9 35 122 A V E + 0 0 0 22,-3.6 20,-2.3 326,-0.1 21,-0.4 -0.684 52.1 160.1 -74.4 130.7 118.7 -11.3 32.1 36 123 A T E +E 54 0C 3 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.773 24.6 175.1-135.8-174.0 115.7 -8.9 32.2 37 124 A R E +E 53 0C 19 16,-0.6 16,-2.4 -2,-0.2 325,-0.1 -0.869 60.6 56.4-176.0 178.8 111.9 -8.5 31.7 38 125 A E E S+ 0 0 9 -2,-0.3 62,-0.1 14,-0.2 2,-0.1 0.926 74.6 173.8 49.7 53.2 109.3 -5.8 32.2 39 126 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.326 10.2 154.3 -81.2 168.2 111.2 -3.3 30.0 40 127 A Y E -E 51 0C 0 11,-2.2 11,-3.0 108,-0.1 2,-0.3 -0.950 33.4-112.7-170.5-178.5 110.1 0.1 28.8 41 128 A L E -E 50 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.954 23.4-179.4-127.3 154.6 111.5 3.4 27.6 42 129 A S E -E 49 0C 1 7,-2.1 7,-2.9 -2,-0.3 2,-0.2 -0.978 11.2-152.4-150.4 143.9 111.4 6.9 29.2 43 130 A b E -E 48 0C 1 287,-0.5 61,-0.4 -2,-0.3 5,-0.3 -0.523 11.5-179.9-112.1 173.6 112.8 10.3 28.0 44 131 A D E > -E 47 0C 29 3,-2.5 3,-0.8 -2,-0.2 289,-0.2 -0.878 56.9 -68.1-157.2-178.4 114.0 13.5 29.4 45 132 A P T 3 S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.780 131.1 49.1 -52.7 -27.7 115.4 16.9 27.9 46 133 A Q T 3 S- 0 0 125 1,-0.2 2,-0.3 473,-0.0 -3,-0.0 0.742 122.3 -80.1 -85.8 -25.3 118.5 15.0 26.7 47 134 A G E < -E 44 0C 14 -3,-0.8 -3,-2.5 2,-0.0 2,-0.3 -0.980 58.1 -51.8 159.1-150.4 117.0 12.0 24.9 48 135 A b E -E 43 0C 23 -2,-0.3 34,-1.1 -5,-0.3 2,-0.3 -0.936 37.3-162.5-126.7 154.2 115.5 8.7 25.7 49 136 A R E -EF 42 81C 44 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.3 -0.910 20.0-121.7-129.8 157.2 116.7 5.6 27.7 50 137 A M E -EF 41 80C 0 30,-2.4 30,-2.1 -2,-0.3 2,-0.3 -0.748 30.0-170.2 -96.9 143.8 115.7 1.9 28.0 51 138 A F E +EF 40 79C 0 -11,-3.0 -11,-2.2 -2,-0.3 2,-0.3 -0.918 13.6 151.0-127.0 154.3 114.6 0.6 31.4 52 139 A A E - F 0 78C 0 26,-1.9 26,-2.8 -2,-0.3 2,-0.8 -0.944 47.4 -95.3-170.3 168.5 113.9 -3.0 32.7 53 140 A L E -EF 37 77C 0 -16,-2.4 -16,-0.6 -2,-0.3 24,-0.2 -0.831 41.3-148.3 -93.9 107.8 113.9 -5.2 35.8 54 141 A S E -EF 36 76C 7 22,-2.9 22,-0.7 -2,-0.8 -18,-0.2 -0.361 11.0-146.4 -65.1 156.5 117.2 -7.1 35.9 55 142 A Q E - 0 0 8 -20,-2.3 20,-0.1 2,-0.4 -19,-0.1 0.260 45.0-111.7-101.3 6.9 117.3 -10.6 37.4 56 143 A G E S+ 0 0 2 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.922 87.4 80.9 66.2 43.1 120.8 -10.0 38.7 57 144 A T E S- 0 0 0 -22,-0.3 -22,-3.6 750,-0.1 -2,-0.4 -0.941 79.8-103.9-171.5 151.6 122.5 -12.5 36.4 58 145 A T E -E 34 0C 0 748,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.480 33.5-115.1 -83.0 161.2 123.8 -12.6 32.8 59 146 A L S S+ 0 0 3 -26,-3.2 -1,-0.1 1,-0.2 -25,-0.1 0.872 117.0 40.2 -62.3 -43.9 121.8 -14.5 30.1 60 147 A R S S+ 0 0 84 -32,-0.3 -1,-0.2 -29,-0.3 -28,-0.1 0.607 96.0 104.4 -79.6 -14.1 124.6 -17.1 29.6 61 148 A G S > S- 0 0 5 -3,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.297 82.3-118.2 -67.0 155.5 125.4 -17.4 33.4 62 149 A R G > S+ 0 0 132 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.736 111.9 67.6 -64.0 -23.7 124.2 -20.4 35.4 63 150 A H G 3 S+ 0 0 5 743,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.633 79.6 80.1 -74.2 -8.8 122.1 -18.1 37.6 64 151 A A G X S+ 0 0 2 -3,-1.6 3,-1.8 -6,-0.2 296,-0.4 0.803 71.7 98.5 -59.1 -28.6 119.9 -17.5 34.5 65 152 A N T < S+ 0 0 71 -3,-1.2 294,-0.2 -4,-0.3 293,-0.0 -0.426 85.9 23.2 -65.5 123.3 118.3 -20.8 35.3 66 153 A G T > S+ 0 0 41 292,-2.2 3,-1.4 -2,-0.2 -1,-0.3 0.473 80.0 130.6 99.1 4.3 115.1 -20.2 37.2 67 154 A T T < + 0 0 6 -3,-1.8 292,-0.1 291,-0.3 -2,-0.1 0.392 48.0 86.3 -78.2 4.6 114.5 -16.7 35.9 68 155 A I T 3 S+ 0 0 77 290,-0.3 -1,-0.3 284,-0.0 291,-0.1 0.854 70.4 101.9 -61.4 -29.6 110.8 -17.3 34.9 69 156 A H < - 0 0 115 -3,-1.4 291,-0.1 1,-0.1 3,-0.1 -0.287 66.8-152.6 -63.1 128.6 110.2 -16.4 38.6 70 157 A D + 0 0 74 1,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.783 69.4 42.4 -76.8 -34.0 108.9 -12.8 38.9 71 158 A R + 0 0 59 3,-0.0 -1,-0.1 44,-0.0 47,-0.1 -0.970 59.2 134.2-131.0 133.1 110.1 -11.7 42.4 72 159 A S > - 0 0 16 -2,-0.4 3,-1.0 -3,-0.1 44,-0.1 -0.935 62.4-104.0-162.4 161.9 113.4 -12.1 44.2 73 160 A P T 3 S+ 0 0 16 0, 0.0 1084,-0.0 0, 0.0 -2,-0.0 0.365 113.7 68.6 -71.9 3.6 115.9 -10.0 46.3 74 161 A F T 3 S+ 0 0 27 -19,-0.1 2,-0.2 1088,-0.1 727,-0.0 0.335 77.1 94.9-109.0 5.9 118.1 -10.0 43.2 75 162 A R < + 0 0 3 -3,-1.0 22,-0.9 -20,-0.1 2,-0.3 -0.625 44.9 167.5 -95.2 159.4 116.0 -7.9 40.8 76 163 A A E -FG 54 96C 7 -22,-0.7 -22,-2.9 20,-0.3 2,-0.5 -0.962 40.5-102.7-163.3 150.7 116.5 -4.1 40.3 77 164 A L E -FG 53 95C 0 18,-2.1 17,-3.4 -2,-0.3 18,-1.1 -0.695 44.3-177.5 -81.5 127.2 115.3 -1.4 37.9 78 165 A I E -FG 52 93C 5 -26,-2.8 -26,-1.9 -2,-0.5 2,-0.3 -0.901 10.7-164.7-123.7 150.6 118.2 -0.6 35.5 79 166 A S E +FG 51 92C 0 13,-1.9 13,-3.1 -2,-0.3 2,-0.3 -0.954 11.2 172.4-131.0 155.9 118.4 2.0 32.7 80 167 A W E -F 50 0C 0 -30,-2.1 -30,-2.4 -2,-0.3 11,-0.1 -0.972 45.0 -63.7-156.4 168.7 120.8 2.4 29.8 81 168 A E E > -F 49 0C 65 9,-0.5 3,-1.7 -2,-0.3 -32,-0.2 -0.369 67.6 -97.4 -64.9 129.3 121.4 4.3 26.6 82 169 A M T 3 S+ 0 0 26 -34,-1.1 401,-0.4 1,-0.2 -1,-0.1 -0.197 106.3 20.9 -51.6 129.4 118.7 3.7 24.1 83 170 A G T 3 S+ 0 0 6 1,-0.4 -1,-0.2 -3,-0.1 2,-0.1 -0.073 97.0 103.9 103.3 -31.3 119.6 1.0 21.6 84 171 A Q S < S- 0 0 23 -3,-1.7 -1,-0.4 399,-0.1 -60,-0.1 -0.383 75.8-112.4 -72.3 161.0 122.4 -0.7 23.5 85 172 A A - 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