==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-04 1V0Z . 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) . 46824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 906 58.2 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 . 126 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 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 . 9 4 0 12 4 36 5 3 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 24 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 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 0 185 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 148.6 32.4 -25.1 62.7 2 89 A T - 0 0 113 104,-0.3 2,-0.2 0, 0.0 152,-0.0 -0.933 360.0 -85.3-136.3 162.3 33.3 -25.5 59.0 3 90 A F - 0 0 62 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.527 51.1-116.9 -62.5 132.0 34.5 -23.2 56.2 4 91 A L - 0 0 15 101,-2.5 150,-2.6 -2,-0.2 151,-0.5 -0.481 29.2-162.7 -63.2 138.1 31.5 -21.5 54.6 5 92 A N - 0 0 62 148,-0.3 3,-0.3 -2,-0.2 148,-0.1 -0.934 18.1-137.0-120.4 161.3 30.9 -22.3 50.9 6 93 A L + 0 0 0 -2,-0.3 199,-2.9 1,-0.2 198,-0.4 -0.037 60.7 123.3-105.7 29.8 28.7 -20.2 48.5 7 94 A T + 0 0 95 197,-0.3 -1,-0.2 196,-0.2 199,-0.1 0.853 48.7 95.8 -65.9 -31.0 26.9 -23.0 46.7 8 95 A K S S- 0 0 74 -3,-0.3 196,-2.6 195,-0.1 197,-0.3 -0.096 73.8-121.2 -60.6 150.4 23.4 -21.8 47.6 9 96 A P - 0 0 79 0, 0.0 330,-2.7 0, 0.0 2,-0.2 -0.439 35.1 -91.0 -82.1 165.5 21.3 -19.6 45.2 10 97 A L B -a 339 0A 13 328,-0.2 330,-0.2 -2,-0.1 2,-0.1 -0.565 45.6-112.8 -71.2 140.1 20.0 -16.1 46.1 11 98 A a - 0 0 7 328,-2.3 2,-0.2 -2,-0.2 -1,-0.1 -0.399 36.5 -95.9 -63.7 149.0 16.5 -16.1 47.6 12 99 A E - 0 0 100 -2,-0.1 2,-0.4 328,-0.1 -1,-0.1 -0.500 42.4-158.5 -62.1 135.9 13.7 -14.5 45.6 13 100 A V + 0 0 1 -2,-0.2 358,-0.2 1,-0.1 3,-0.1 -0.984 30.3 157.4-127.8 121.1 13.1 -10.9 46.7 14 101 A N S S- 0 0 14 356,-3.5 2,-0.3 -2,-0.4 357,-0.2 0.607 75.1 -6.9-111.2 -22.9 9.9 -9.0 46.1 15 102 A S E S-B 370 0B 6 355,-1.9 355,-2.7 358,-0.1 2,-0.4 -0.918 73.2-102.6-157.9-176.7 10.3 -6.3 48.9 16 103 A W E -B 369 0B 4 -2,-0.3 2,-0.3 353,-0.2 353,-0.2 -0.961 22.7-155.5-125.1 128.5 12.6 -5.4 51.8 17 104 A H E -B 368 0B 3 351,-3.0 351,-2.1 -2,-0.4 2,-0.2 -0.761 32.1-100.1 -99.3 147.6 11.9 -6.0 55.6 18 105 A I E +B 367 0B 6 -2,-0.3 349,-0.3 349,-0.2 468,-0.2 -0.466 41.6 169.5 -66.1 128.5 13.6 -4.0 58.4 19 106 A L E - 0 0 8 347,-2.8 2,-0.3 1,-0.4 348,-0.2 0.777 60.1 -17.6-102.4 -49.8 16.5 -5.8 60.0 20 107 A S E -B 366 0B 2 346,-1.9 346,-2.7 465,-0.1 -1,-0.4 -0.993 44.8-176.6-156.7 156.0 18.2 -3.2 62.2 21 108 A K E -B 365 0B 2 -2,-0.3 344,-0.2 344,-0.2 64,-0.0 -0.929 7.2-166.9-153.1 134.0 18.5 0.5 63.0 22 109 A D - 0 0 4 342,-1.7 5,-0.2 -2,-0.3 343,-0.1 0.632 17.1-150.2-100.5 -14.2 20.8 2.0 65.6 23 110 A N > + 0 0 8 341,-0.6 4,-2.3 1,-0.1 5,-0.3 0.866 33.9 164.7 50.2 39.7 19.5 5.6 65.9 24 111 A A H > + 0 0 2 1,-0.2 4,-3.0 2,-0.2 339,-0.1 0.834 65.5 46.5 -63.2 -40.6 23.1 6.5 66.8 25 112 A I H > S+ 0 0 2 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.909 112.0 50.9 -71.9 -42.5 22.8 10.3 66.3 26 113 A R H >4 S+ 0 0 21 355,-0.3 3,-0.7 2,-0.2 427,-0.3 0.964 118.8 37.8 -53.2 -53.9 19.5 10.6 68.2 27 114 A I H >X S+ 0 0 12 -4,-2.3 3,-2.0 1,-0.2 4,-1.2 0.930 111.2 59.4 -66.3 -47.0 21.0 8.7 71.1 28 115 A G H 3< S+ 0 0 0 -4,-3.0 5,-0.3 1,-0.3 32,-0.3 0.552 82.5 82.9 -64.9 -9.4 24.5 10.3 70.8 29 116 A E T << S+ 0 0 9 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.768 119.4 4.2 -59.9 -26.2 23.0 13.8 71.4 30 117 A D T <4 S+ 0 0 56 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.363 122.2 69.9-143.6 1.4 23.1 12.9 75.1 31 118 A A S < S- 0 0 2 -4,-1.2 2,-1.4 391,-0.1 29,-0.3 -0.768 95.2 -90.8-116.5 167.3 24.8 9.6 75.6 32 119 A H + 0 0 13 -2,-0.3 2,-0.4 26,-0.1 57,-0.3 -0.650 61.2 161.8 -84.0 92.7 28.5 8.8 75.0 33 120 A I - 0 0 4 -2,-1.4 26,-3.1 -5,-0.3 27,-0.3 -0.954 36.5-120.9-119.3 132.0 28.4 7.7 71.3 34 121 A L E -E 58 0C 9 52,-2.2 2,-0.3 -2,-0.4 24,-0.3 -0.393 25.2-114.6 -69.8 139.4 31.5 7.5 69.1 35 122 A V E + 0 0 0 22,-2.8 20,-2.2 -2,-0.1 21,-0.4 -0.606 50.4 164.5 -68.7 132.7 31.7 9.6 65.9 36 123 A T E +E 54 0C 2 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.805 22.5 175.9-134.7 176.7 31.8 7.2 62.9 37 124 A R E +E 53 0C 23 16,-0.8 16,-2.3 -2,-0.3 325,-0.1 -0.881 60.8 51.3-167.2 178.6 31.4 7.0 59.1 38 125 A E E S+ 0 0 10 -2,-0.3 62,-0.1 14,-0.2 -1,-0.1 0.929 75.3 176.9 54.9 53.8 31.8 4.2 56.5 39 126 A P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.277 11.8 157.9 -82.5 171.7 29.7 1.7 58.3 40 127 A Y E -E 51 0C 0 11,-2.5 11,-3.2 108,-0.1 2,-0.3 -0.945 31.2-116.5-166.4-178.8 28.5 -1.8 57.3 41 128 A L E -E 50 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.959 22.7-178.2-126.0 152.2 27.3 -5.1 58.7 42 129 A S E -E 49 0C 1 7,-2.1 7,-2.7 -2,-0.3 2,-0.2 -0.983 11.5-149.7-148.3 143.6 28.9 -8.5 58.6 43 130 A b E -E 48 0C 1 287,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.568 11.5-177.8-111.3 168.5 27.6 -11.9 60.0 44 131 A D E > -E 47 0C 25 3,-3.0 3,-0.7 -2,-0.2 289,-0.2 -0.867 54.5 -72.9-149.9 179.7 29.0 -15.1 61.4 45 132 A P T 3 S+ 0 0 27 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.768 130.1 46.3 -53.6 -23.8 27.6 -18.4 62.6 46 133 A Q T 3 S- 0 0 149 1,-0.2 2,-0.3 473,-0.0 -3,-0.0 0.709 123.4 -70.7 -92.6 -22.9 26.3 -16.8 65.7 47 134 A G E < -E 44 0C 16 -3,-0.7 -3,-3.0 2,-0.0 2,-0.3 -0.972 58.6 -59.0 165.8-153.1 24.6 -13.7 64.3 48 135 A b E -E 43 0C 25 -2,-0.3 34,-1.1 -5,-0.3 2,-0.3 -0.936 37.0-162.1-128.8 151.6 25.4 -10.3 62.7 49 136 A R E -EF 42 81C 41 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.3 -0.931 19.0-121.0-129.1 154.1 27.3 -7.3 63.9 50 137 A M E -EF 41 80C 0 30,-2.5 30,-2.4 -2,-0.3 2,-0.3 -0.741 29.2-168.8 -90.4 147.0 27.6 -3.6 62.9 51 138 A F E +EF 40 79C 0 -11,-3.2 -11,-2.5 -2,-0.3 2,-0.3 -0.941 14.0 150.9-131.8 150.2 31.0 -2.2 61.8 52 139 A A E - F 0 78C 0 26,-1.8 26,-2.8 -2,-0.3 2,-0.9 -0.962 47.2 -96.8-168.3 164.6 32.3 1.3 61.2 53 140 A L E -EF 37 77C 0 -16,-2.3 -16,-0.8 -2,-0.3 24,-0.2 -0.827 40.8-147.3 -89.9 106.8 35.4 3.6 61.2 54 141 A S E -EF 36 76C 7 22,-2.7 22,-0.9 -2,-0.9 -18,-0.2 -0.337 10.6-147.8 -63.3 153.3 35.5 5.4 64.5 55 142 A Q E - 0 0 9 -20,-2.2 -19,-0.1 2,-0.4 20,-0.1 0.261 44.3-113.4-100.2 4.9 37.0 8.9 64.6 56 143 A G E S+ 0 0 1 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.906 86.6 80.7 62.1 43.9 38.3 8.3 68.2 57 144 A T E S- 0 0 0 -22,-0.3 -22,-2.8 749,-0.1 -2,-0.4 -0.936 80.9-103.2-164.7 154.3 36.0 10.9 69.9 58 145 A T E -E 34 0C 1 748,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.473 32.8-116.0 -78.3 158.8 32.4 11.1 71.1 59 146 A L S S+ 0 0 4 -26,-3.1 -25,-0.1 1,-0.2 -1,-0.1 0.866 116.8 39.7 -62.7 -41.8 29.8 12.9 69.1 60 147 A R S S+ 0 0 87 -29,-0.3 -1,-0.2 -32,-0.3 -26,-0.1 0.567 97.4 105.1 -84.9 -11.0 29.2 15.6 71.8 61 148 A G S > S- 0 0 6 -3,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.271 83.1-117.3 -69.6 155.7 32.9 15.8 72.6 62 149 A R G > S+ 0 0 131 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.787 111.7 67.5 -66.4 -25.0 35.0 18.8 71.5 63 150 A H G 3 S+ 0 0 5 743,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.555 78.9 80.1 -72.3 -5.5 37.2 16.5 69.4 64 151 A A G X + 0 0 1 -3,-1.7 3,-1.8 -6,-0.2 296,-0.3 0.769 69.8 103.0 -70.0 -23.7 34.1 15.9 67.1 65 152 A N T < S+ 0 0 78 -3,-1.4 294,-0.2 -4,-0.3 293,-0.0 -0.461 86.5 19.0 -58.2 120.2 35.1 19.3 65.6 66 153 A G T > S+ 0 0 37 292,-2.4 3,-1.7 -2,-0.3 -1,-0.2 0.502 77.3 134.9 96.2 9.1 36.8 18.6 62.3 67 154 A T T < + 0 0 7 -3,-1.8 292,-0.1 291,-0.4 -2,-0.1 0.408 51.6 86.5 -77.2 3.7 35.5 15.0 61.7 68 155 A I T 3 + 0 0 81 290,-0.4 -1,-0.3 284,-0.0 291,-0.1 0.839 69.6 101.1 -57.6 -33.0 34.8 15.8 58.1 69 156 A H < - 0 0 119 -3,-1.7 291,-0.1 1,-0.1 3,-0.1 -0.322 66.0-155.0 -62.4 128.4 38.4 14.8 57.7 70 157 A D + 0 0 75 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.804 68.1 42.7 -77.3 -36.6 38.7 11.2 56.3 71 158 A R + 0 0 62 3,-0.0 -1,-0.2 44,-0.0 47,-0.1 -0.961 60.3 136.1-128.3 127.2 42.1 10.0 57.5 72 159 A S > - 0 0 14 -2,-0.5 3,-1.1 -3,-0.1 44,-0.1 -0.968 61.1-107.3-153.0 164.4 43.9 10.4 60.8 73 160 A P T 3 S+ 0 0 13 0, 0.0 1084,-0.0 0, 0.0 -2,-0.0 0.443 113.3 68.3 -72.7 3.9 46.0 8.3 63.3 74 161 A F T 3 S+ 0 0 24 -19,-0.1 2,-0.2 1088,-0.1 727,-0.0 0.353 78.9 99.1-106.0 2.2 42.8 8.4 65.6 75 162 A R < + 0 0 3 -3,-1.1 22,-1.1 -20,-0.1 2,-0.3 -0.594 43.9 167.3 -90.1 149.4 40.6 6.2 63.4 76 163 A A E -FG 54 96C 6 -22,-0.9 -22,-2.7 20,-0.3 2,-0.6 -0.983 40.9-106.3-154.2 152.8 39.9 2.5 63.9 77 164 A L E -FG 53 95C 0 18,-2.2 17,-3.0 -2,-0.3 18,-1.1 -0.755 44.2-175.8 -80.4 122.2 37.5 -0.2 62.6 78 165 A I E -FG 52 93C 5 -26,-2.8 -26,-1.8 -2,-0.6 2,-0.3 -0.888 9.0-163.6-117.0 148.2 35.1 -1.0 65.5 79 166 A S E +FG 51 92C 0 13,-2.1 13,-3.1 -2,-0.3 2,-0.3 -0.957 11.3 171.6-128.4 155.6 32.4 -3.6 65.7 80 167 A W E -F 50 0C 0 -30,-2.4 -30,-2.5 -2,-0.3 11,-0.1 -0.972 44.3 -66.1-155.9 166.2 29.4 -4.0 68.0 81 168 A E E > -F 49 0C 70 9,-0.5 3,-1.6 -2,-0.3 -32,-0.2 -0.365 67.8 -96.0 -60.0 129.9 26.2 -6.0 68.6 82 169 A M T 3 S+ 0 0 26 -34,-1.1 401,-0.4 1,-0.2 -1,-0.1 -0.174 106.4 18.4 -53.2 129.7 23.7 -5.3 65.8 83 170 A G T 3 S+ 0 0 5 1,-0.4 -1,-0.2 -3,-0.1 281,-0.1 -0.097 96.6 106.3 100.8 -32.9 21.2 -2.6 66.7 84 171 A Q S < S- 0 0 21 -3,-1.6 -1,-0.4 399,-0.1 -60,-0.1 -0.316 75.9-112.9 -64.3 158.7 23.0 -1.0 69.6 85 172 A A - 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