==== 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(O-GLYCOSYL) 21-JAN-92 1NCD . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N9 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR W.R.TULIP,J.N.VARGHESE,P.M.COLMAN . 824 3 14 13 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 36.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 100 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 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 1 0 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 PARALLEL BRIDGES PER LADDER . 5 3 6 7 5 16 2 0 4 1 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 1 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 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 81 N I 0 0 101 0, 0.0 4,-0.1 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 173.0 71.2 8.4 155.0 2 82 N R + 0 0 229 2,-0.1 2,-0.3 0, 0.0 106,-0.1 0.324 360.0 57.3 -90.2 10.7 70.7 5.5 157.5 3 83 N E S S- 0 0 129 104,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.927 95.7 -92.9-141.9 152.5 67.3 7.0 158.3 4 84 N F - 0 0 46 -2,-0.3 2,-0.4 103,-0.1 103,-0.3 -0.121 46.3-113.9 -61.7 166.5 64.1 8.0 156.4 5 85 N N - 0 0 24 101,-2.0 150,-2.1 -4,-0.1 151,-0.4 -0.867 21.5-162.6-108.6 139.2 63.9 11.5 155.1 6 86 N N - 0 0 72 -2,-0.4 2,-1.8 148,-0.2 3,-0.2 -0.950 27.5-124.8-113.2 138.3 61.4 14.3 156.2 7 87 N L + 0 0 2 -2,-0.4 199,-1.9 1,-0.2 200,-0.1 -0.605 50.6 154.3 -85.4 87.7 61.0 17.4 153.9 8 88 N T + 0 0 103 -2,-1.8 -1,-0.2 197,-0.2 2,-0.1 0.721 45.1 66.3 -87.7 -29.4 61.8 19.8 156.5 9 89 N K - 0 0 42 -3,-0.2 196,-2.8 323,-0.1 2,-0.2 -0.221 69.6-135.0 -87.7 179.9 63.1 22.7 154.5 10 90 N G - 0 0 22 327,-0.4 329,-2.8 194,-0.2 -1,-0.1 -0.750 41.6 -73.2-121.7 175.5 61.3 25.0 152.0 11 91 N L B -a 339 0A 21 -2,-0.2 2,-0.2 327,-0.2 329,-0.2 -0.145 45.3-123.5 -64.9 162.1 62.6 26.2 148.6 12 92 N a - 0 0 19 327,-2.0 2,-0.3 326,-0.1 329,-0.1 -0.644 45.6 -75.0 -98.2 170.4 65.4 28.8 148.3 13 93 N T - 0 0 79 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.457 43.1-142.8 -70.0 123.4 64.9 32.1 146.3 14 94 N I + 0 0 0 -2,-0.3 357,-0.2 1,-0.2 3,-0.1 -0.813 38.1 153.5 -85.0 121.1 65.0 31.4 142.7 15 95 N N - 0 0 24 355,-2.4 2,-0.3 -2,-0.7 356,-0.2 0.522 69.6 -24.7-121.4 -16.3 66.8 34.3 141.1 16 96 N S E S-B 370 0B 2 354,-1.1 354,-1.5 357,-0.1 -1,-0.6 -0.870 71.1-105.8-170.1-169.6 68.3 32.8 137.9 17 97 N W E -B 369 0B 4 -2,-0.3 2,-0.3 352,-0.2 352,-0.2 -0.943 22.0-158.7-134.8 146.0 69.3 29.2 136.9 18 98 N H E -B 368 0B 49 350,-2.6 350,-1.8 -2,-0.3 2,-0.3 -0.934 34.1 -94.2-121.1 147.0 72.8 27.6 136.6 19 99 N I E +B 367 0B 76 -2,-0.3 348,-0.3 348,-0.2 3,-0.1 -0.507 40.6 171.4 -71.1 131.6 73.7 24.4 134.5 20 100 N Y E - 0 0 69 346,-2.6 2,-0.3 1,-0.3 347,-0.2 0.818 61.6 -2.7-103.1 -54.4 73.7 21.4 136.6 21 101 N G E +B 366 0B 4 345,-1.6 345,-1.9 62,-0.0 -1,-0.3 -0.995 44.4 176.5-149.7 149.8 74.1 18.6 134.0 22 102 N K E -B 365 0B 33 -2,-0.3 343,-0.2 343,-0.2 -3,-0.0 -0.854 6.0-172.9-150.2 114.1 74.4 18.1 130.3 23 103 N D - 0 0 5 341,-1.0 342,-0.1 -2,-0.3 5,-0.1 0.717 17.7-153.1 -80.6 -21.3 75.0 14.5 129.0 24 104 N N > + 0 0 51 340,-0.5 4,-2.5 3,-0.1 5,-0.3 0.684 33.7 159.7 49.9 34.9 75.6 15.3 125.2 25 105 N A H > + 0 0 1 1,-0.2 4,-3.1 2,-0.2 338,-0.1 0.774 63.7 43.3 -57.6 -50.3 74.4 11.8 124.4 26 106 N V H > S+ 0 0 1 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.932 114.8 52.5 -64.6 -44.6 73.4 12.1 120.6 27 107 N R H >4 S+ 0 0 150 354,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.948 119.5 33.9 -55.1 -49.6 76.6 14.1 119.9 28 108 N I H >X S+ 0 0 68 -4,-2.5 3,-2.6 1,-0.2 4,-0.6 0.928 109.6 70.1 -68.5 -43.3 78.8 11.5 121.5 29 109 N G H 3< S+ 0 0 0 -4,-3.1 32,-0.4 -5,-0.3 5,-0.2 0.559 75.5 79.3 -48.9 -23.4 76.4 8.7 120.3 30 110 N E T << S+ 0 0 63 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.1 0.681 116.8 14.2 -63.2 -15.7 77.4 9.2 116.6 31 111 N D T <4 S+ 0 0 138 -3,-2.6 -2,-0.2 -4,-0.1 2,-0.2 0.368 118.5 61.0-143.3 8.7 80.5 7.1 117.6 32 112 N S S < S- 0 0 52 -4,-0.6 2,-1.1 2,-0.0 29,-0.3 -0.648 92.9 -89.8-123.5-176.4 80.1 5.3 121.0 33 113 N D + 0 0 64 -2,-0.2 56,-2.8 26,-0.1 2,-0.3 -0.545 62.2 159.6 -98.9 68.2 77.6 2.7 122.3 34 114 N V B -E 88 0C 1 -2,-1.1 26,-1.9 54,-0.3 54,-0.2 -0.665 37.9-122.1 -83.3 138.2 75.1 5.2 123.6 35 115 N L E -F 59 0D 21 52,-3.3 2,-0.3 -2,-0.3 24,-0.3 -0.566 16.7-113.7 -92.7 150.2 71.7 3.8 124.0 36 116 N V E + 0 0 0 22,-2.7 20,-2.4 -2,-0.2 21,-0.4 -0.645 53.0 157.2 -80.7 133.4 68.6 5.0 122.3 37 117 N T E -F 55 0D 4 -2,-0.3 2,-0.2 18,-0.3 18,-0.2 -0.809 22.4-176.3-140.4-175.3 66.3 6.4 125.1 38 118 N R E +F 54 0D 25 16,-1.0 16,-1.7 1,-0.3 324,-0.1 -0.849 61.0 47.8 178.1 159.4 63.4 8.8 125.6 39 119 N E E S+ 0 0 12 -2,-0.2 15,-1.1 14,-0.2 -1,-0.3 0.979 72.6 179.0 56.0 82.6 61.5 10.1 128.6 40 120 N P E +F 53 0D 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.430 11.8 164.6 -95.0-177.8 64.4 10.9 130.8 41 121 N Y E -F 52 0D 2 11,-1.6 11,-2.9 -2,-0.1 2,-0.3 -0.879 27.9-119.9-179.6 177.1 64.5 12.4 134.4 42 122 N V E -F 51 0D 1 -2,-0.3 2,-0.3 9,-0.2 108,-0.3 -0.981 24.1-178.7-134.0 146.7 67.0 12.8 137.3 43 123 N S E -F 50 0D 1 7,-1.7 7,-2.2 -2,-0.3 2,-0.4 -0.999 17.0-132.3-152.4 148.2 66.9 11.6 140.9 44 124 N b E -F 49 0D 1 286,-0.4 61,-0.5 -2,-0.3 5,-0.2 -0.808 6.4-161.0-113.9 132.7 69.0 11.8 143.9 45 125 N D E > -F 48 0D 27 3,-2.9 3,-0.5 -2,-0.4 288,-0.2 -0.682 42.5-106.5 -85.9 160.7 70.3 9.3 146.3 46 126 N P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.667 123.4 37.9 -58.9 -11.7 71.5 10.6 149.7 47 127 N D T 3 S- 0 0 131 1,-0.3 2,-0.2 -46,-0.1 -3,-0.0 0.562 128.1 -2.1-119.6 -17.4 75.0 9.8 148.3 48 128 N E E < -F 45 0D 74 -3,-0.5 -3,-2.9 2,-0.0 2,-0.4 -0.958 58.2-123.2-169.4 156.0 74.9 10.7 144.5 49 129 N b E -F 44 0D 14 -2,-0.2 34,-0.8 -5,-0.2 2,-0.3 -0.931 31.1-177.0-112.5 139.0 72.6 12.1 141.6 50 130 N R E -FG 43 82D 20 -7,-2.2 -7,-1.7 -2,-0.4 2,-0.4 -0.860 28.2-114.3-128.7 165.2 72.1 10.0 138.5 51 131 N F E -FG 42 81D 0 30,-1.8 30,-1.3 -2,-0.3 2,-0.4 -0.814 32.2-165.5 -98.2 136.6 70.2 10.4 135.1 52 132 N Y E +FG 41 80D 0 -11,-2.9 -11,-1.6 -2,-0.4 2,-0.3 -0.961 15.0 159.9-119.0 148.8 67.3 7.9 134.6 53 133 N A E -FG 40 79D 0 26,-1.9 26,-2.7 -2,-0.4 2,-0.7 -0.971 45.2-100.9-162.2 164.3 65.6 7.2 131.3 54 134 N L E -FG 38 78D 0 -16,-1.7 -16,-1.0 -15,-1.1 24,-0.2 -0.848 42.2-149.5 -95.2 107.9 63.5 4.7 129.4 55 135 N S E -FG 37 77D 2 22,-2.8 22,-1.0 -2,-0.7 -18,-0.3 -0.506 12.5-153.2 -73.5 151.7 65.8 2.7 127.1 56 136 N Q E - 0 0 14 -20,-2.4 20,-0.2 2,-0.3 -19,-0.1 0.280 44.2-112.5-108.1 4.8 64.6 1.3 123.8 57 137 N G E S+ 0 0 37 -21,-0.4 2,-0.3 1,-0.2 19,-0.1 0.942 82.5 84.2 66.2 53.8 67.1 -1.5 123.8 58 138 N T E S- 0 0 15 -22,-0.3 -22,-2.7 7,-0.1 -2,-0.3 -0.929 77.8-108.2-170.0 155.2 69.4 -0.6 120.9 59 139 N T E -F 35 0D 33 -2,-0.3 -24,-0.3 -24,-0.3 6,-0.1 -0.615 37.0-115.2 -82.7 155.5 72.4 1.6 120.4 60 140 N I S S+ 0 0 1 -26,-1.9 5,-0.1 -2,-0.2 -1,-0.1 0.960 119.2 40.5 -62.2 -45.8 71.6 4.8 118.2 61 141 N R S S+ 0 0 109 -32,-0.4 -1,-0.2 -29,-0.3 4,-0.1 0.833 94.4 103.7 -66.2 -33.0 73.9 3.5 115.4 62 142 N G S > S- 0 0 20 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.110 83.4-120.6 -51.4 146.4 72.7 -0.1 115.8 63 143 N K G > S+ 0 0 192 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.720 109.2 66.9 -66.1 -18.5 70.3 -1.1 113.1 64 144 N H G 3 S+ 0 0 160 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.405 77.4 87.0 -79.0 0.7 67.5 -1.9 115.6 65 145 N S G X + 0 0 11 -3,-2.1 3,-1.1 -5,-0.1 2,-0.6 0.723 65.1 103.3 -67.8 -22.6 67.4 1.8 116.3 66 146 N N T < S+ 0 0 94 -3,-1.0 293,-0.2 1,-0.3 -6,-0.0 -0.587 81.3 22.7 -77.6 113.5 65.0 2.2 113.4 67 147 N G T > + 0 0 29 291,-2.6 3,-1.1 -2,-0.6 -1,-0.3 0.535 69.6 141.7 110.9 27.1 61.5 2.6 114.6 68 148 N T T < + 0 0 10 -3,-1.1 291,-0.1 290,-0.6 -2,-0.1 0.316 46.6 96.2 -84.9 18.4 62.0 3.9 118.1 69 149 N I T 3 + 0 0 63 289,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.859 61.1 99.5 -71.1 -29.9 59.1 6.3 117.8 70 150 N H < - 0 0 124 -3,-1.1 3,-0.1 1,-0.2 290,-0.1 -0.466 64.4-155.5 -69.9 122.7 57.0 3.7 119.5 71 151 N D S S+ 0 0 79 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.720 73.5 40.0 -64.0 -41.5 56.6 4.4 123.1 72 152 N R + 0 0 88 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.977 62.0 129.1-132.3 134.5 56.0 1.0 124.3 73 153 N S > - 0 0 30 -2,-0.4 3,-0.9 -3,-0.1 44,-0.1 -0.931 64.9 -99.6-162.8 163.1 57.5 -2.3 123.4 74 154 N Q T 3 S+ 0 0 147 -2,-0.3 -18,-0.0 1,-0.2 -2,-0.0 0.216 113.3 69.5 -87.2 24.8 59.0 -5.1 125.3 75 155 N Y T 3 S+ 0 0 152 -19,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.455 74.6 108.7-114.4 0.8 62.6 -4.0 124.7 76 156 N R < + 0 0 2 -3,-0.9 22,-0.8 -20,-0.2 2,-0.3 -0.435 43.4 174.5 -71.2 141.4 62.1 -0.9 126.9 77 157 N D E -GH 55 97D 42 -22,-1.0 -22,-2.8 20,-0.2 2,-0.6 -0.984 34.1-121.1-151.9 131.8 64.0 -1.0 130.3 78 158 N L E +GH 54 96D 0 18,-1.8 17,-3.1 -2,-0.3 18,-0.7 -0.795 44.7 179.7 -81.5 119.2 64.3 1.9 132.9 79 159 N I E -GH 53 94D 2 -26,-2.7 -26,-1.9 -2,-0.6 2,-0.3 -0.708 20.4-163.8-118.6 164.1 68.0 2.6 133.3 80 160 N S E +GH 52 93D 0 13,-1.7 13,-2.9 -28,-0.2 -28,-0.2 -0.938 12.6 165.8-138.2 158.4 70.3 4.9 135.2 81 161 N W E -G 51 0D 1 -30,-1.3 -30,-1.8 -2,-0.3 11,-0.1 -0.948 48.1 -52.8-161.1 168.5 74.0 5.9 134.8 82 162 N P E > -G 50 0D 44 0, 0.0 3,-2.1 0, 0.0 -32,-0.2 -0.199 66.1 -86.3 -56.9 148.0 76.2 8.7 136.2 83 163 N L T 3 S+ 0 0 62 -34,-0.8 -33,-0.1 1,-0.3 -41,-0.0 -0.306 110.9 5.3 -60.0 127.5 75.3 12.3 136.1 84 164 N S T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -34,-0.0 0.455 101.1 110.5 65.0 20.1 76.4 13.8 132.9 85 165 N S S < S- 0 0 40 -3,-2.1 -1,-0.2 1,-0.0 -60,-0.2 -0.622 74.6-100.1 -97.2 166.0 77.6 10.8 131.1 86 166 N P - 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