==== 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 1NCB . 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) . 32800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 36.9 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 . 10 1.2 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 . 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 . 103 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 2 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 RESIDUES PER ALPHA HELIX . 2 0 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 0 0 PARALLEL BRIDGES PER LADDER . 7 5 7 4 3 15 6 0 3 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 9 3 0 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 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 0 113 0, 0.0 46,-0.1 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0-152.0 71.2 8.6 154.9 2 82 N R + 0 0 228 2,-0.1 2,-0.3 107,-0.0 106,-0.2 -0.313 360.0 60.6-132.2 45.3 70.4 5.6 157.2 3 83 N D S S- 0 0 105 104,-0.5 152,-0.0 0, 0.0 0, 0.0 -0.946 96.3 -86.4-169.7 144.2 67.1 7.3 158.2 4 84 N F - 0 0 37 -2,-0.3 2,-0.4 103,-0.2 103,-0.3 -0.096 44.3-117.6 -59.7 158.8 64.0 8.4 156.4 5 85 N N - 0 0 24 101,-2.0 150,-3.1 -4,-0.1 2,-0.4 -0.823 23.1-165.5-100.1 141.3 63.9 11.8 154.8 6 86 N N - 0 0 66 -2,-0.4 2,-1.6 148,-0.2 3,-0.2 -0.993 28.1-124.0-122.8 134.1 61.4 14.5 156.0 7 87 N L + 0 0 3 -2,-0.4 199,-2.6 1,-0.2 197,-0.1 -0.631 49.1 156.8 -85.9 97.4 61.0 17.6 153.8 8 88 N T + 0 0 106 -2,-1.6 -1,-0.2 197,-0.2 2,-0.1 0.561 46.7 66.9 -90.5 -18.6 61.9 20.0 156.5 9 89 N K - 0 0 54 -3,-0.2 196,-2.8 194,-0.1 2,-0.3 -0.372 69.1-130.5 -98.6 178.4 62.9 23.0 154.3 10 90 N G - 0 0 22 327,-0.3 329,-2.2 194,-0.2 -2,-0.1 -0.765 44.4 -79.4-114.5 166.5 61.3 25.4 151.9 11 91 N L B -a 339 0A 15 -2,-0.3 329,-0.2 327,-0.2 -1,-0.1 -0.309 48.6-115.9 -60.0 155.0 62.6 26.3 148.4 12 92 N a - 0 0 20 327,-2.5 2,-0.3 1,-0.1 329,-0.1 -0.414 47.8 -74.8 -86.3 167.4 65.5 28.8 148.2 13 93 N T - 0 0 84 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.531 48.7-147.0 -61.1 121.2 65.0 32.2 146.5 14 94 N I + 0 0 1 -2,-0.3 357,-0.2 1,-0.2 3,-0.1 -0.851 38.3 151.0 -94.2 101.3 65.0 31.3 142.8 15 95 N N - 0 0 33 355,-2.4 2,-0.2 -2,-0.9 356,-0.2 0.674 67.3 -20.6-106.5 -18.1 66.6 34.3 141.1 16 96 N S E S-B 370 0B 1 354,-1.3 354,-1.6 357,-0.1 2,-0.4 -0.877 72.0-101.1-164.7-166.6 68.2 32.8 138.0 17 97 N W E -B 369 0B 4 357,-0.3 2,-0.4 -2,-0.2 352,-0.3 -0.977 20.0-161.1-134.9 138.1 69.4 29.3 136.9 18 98 N H E -B 368 0B 49 350,-2.4 350,-2.8 -2,-0.4 2,-0.2 -0.969 34.8-104.3-116.4 135.0 72.9 27.7 136.8 19 99 N I E +B 367 0B 72 -2,-0.4 348,-0.3 348,-0.3 3,-0.1 -0.465 39.7 172.2 -56.2 132.2 73.6 24.6 134.6 20 100 N Y E + 0 0 65 346,-2.1 2,-0.4 1,-0.3 347,-0.2 0.798 58.9 17.3-107.6 -45.5 73.9 21.6 136.7 21 101 N G E -B 366 0B 3 345,-1.5 345,-2.7 62,-0.0 2,-0.4 -0.986 48.7-178.8-144.7 137.2 74.1 18.7 134.1 22 102 N K E -B 365 0B 42 -2,-0.4 343,-0.2 343,-0.2 -3,-0.0 -0.976 3.2-178.3-138.5 128.0 74.8 18.1 130.5 23 103 N D - 0 0 4 341,-1.4 -1,-0.1 -2,-0.4 342,-0.1 0.834 7.7-168.5 -78.2 -55.7 74.7 14.7 128.7 24 104 N N > + 0 0 52 340,-0.4 4,-2.5 1,-0.1 3,-0.4 0.575 34.5 151.1 55.1 21.2 75.7 15.4 125.1 25 105 N A H > + 0 0 1 1,-0.3 4,-2.7 2,-0.2 338,-0.1 0.719 62.1 46.5 -47.0 -47.0 74.5 11.8 124.5 26 106 N V H 4 S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.934 113.5 50.5 -70.5 -38.3 73.4 12.1 120.9 27 107 N R H >4 S+ 0 0 140 -3,-0.4 3,-0.8 354,-0.3 -2,-0.2 0.924 117.9 38.0 -66.4 -43.6 76.6 13.9 119.9 28 108 N I H >< S+ 0 0 65 -4,-2.5 3,-2.6 1,-0.2 -1,-0.2 0.937 108.0 65.9 -74.4 -41.7 78.8 11.3 121.6 29 109 N G T 3< S+ 0 0 0 -4,-2.7 32,-0.4 1,-0.3 3,-0.3 0.502 81.2 77.7 -53.2 -6.4 76.5 8.4 120.5 30 110 N E T < S+ 0 0 58 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 0.661 117.9 13.9 -80.8 -15.6 77.3 9.0 116.8 31 111 N D S < S+ 0 0 136 -3,-2.6 2,-0.3 -4,-0.1 -2,-0.2 -0.060 120.1 66.9-146.8 39.8 80.6 7.2 117.6 32 112 N S S S- 0 0 51 -3,-0.3 2,-2.6 2,-0.1 29,-0.3 -0.983 93.1 -93.6-149.5 160.6 80.1 5.4 121.0 33 113 N D + 0 0 76 -2,-0.3 56,-2.8 26,-0.1 2,-0.3 -0.432 65.3 163.7 -79.8 73.3 77.9 2.5 122.2 34 114 N V B -E 88 0C 0 -2,-2.6 26,-1.4 -5,-0.3 54,-0.2 -0.688 34.0-121.1 -95.6 145.4 75.1 4.8 123.4 35 115 N L E -F 59 0D 19 52,-2.2 2,-0.5 -2,-0.3 24,-0.2 -0.510 17.1-123.6 -87.8 150.2 71.5 3.8 124.2 36 116 N V E + 0 0 0 22,-1.3 20,-2.1 -2,-0.2 21,-0.4 -0.794 47.9 159.6 -93.9 128.4 68.4 5.2 122.6 37 117 N T E +F 55 0D 2 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.862 21.9 178.4-140.7 176.7 66.3 6.5 125.3 38 118 N R E +F 54 0D 25 16,-1.0 16,-2.4 -2,-0.3 324,-0.1 -0.923 60.9 54.9-170.3 175.6 63.5 8.9 125.8 39 119 N E E S- 0 0 12 -2,-0.3 15,-0.2 14,-0.2 -1,-0.1 0.940 76.5-176.8 54.7 54.2 61.4 10.0 128.8 40 120 N P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.174 10.5 163.5 -75.4 168.7 64.6 11.0 130.7 41 121 N Y E -F 52 0D 0 11,-2.9 11,-2.5 108,-0.1 2,-0.3 -0.945 28.9-122.0-165.1-174.8 64.8 12.3 134.3 42 122 N V E +F 51 0D 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.972 25.1 170.1-142.0 132.7 67.1 12.9 137.3 43 123 N S E -F 50 0D 0 7,-1.4 7,-2.4 -2,-0.3 2,-0.4 -0.941 21.2-136.8-138.0 151.4 66.8 11.6 140.9 44 124 N b E -F 49 0D 1 286,-0.3 61,-0.4 -2,-0.3 5,-0.2 -0.895 5.3-158.1-119.7 141.7 69.2 11.8 143.8 45 125 N D - 0 0 27 3,-3.0 288,-0.2 -2,-0.4 3,-0.1 -0.618 45.3 -99.8 -90.9 166.0 70.3 9.3 146.3 46 126 N P S S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.906 126.6 42.5 -48.4 -41.2 71.8 10.6 149.7 47 127 N D S S- 0 0 142 1,-0.2 2,-0.3 -46,-0.1 -3,-0.0 0.733 125.0 -10.1 -74.8 -39.5 74.9 9.8 148.0 48 128 N E - 0 0 80 -3,-0.1 -3,-3.0 2,-0.0 2,-0.3 -0.983 55.8-118.3-161.8 160.3 74.8 10.9 144.4 49 129 N b E -F 44 0D 13 -2,-0.3 34,-0.8 -5,-0.2 2,-0.3 -0.864 33.2-174.8-111.4 148.3 72.5 12.2 141.6 50 130 N R E -FG 43 82D 19 -7,-2.4 -7,-1.4 -2,-0.3 2,-0.4 -0.926 28.6-114.5-141.4 159.2 72.0 10.2 138.4 51 131 N F E -FG 42 81D 0 30,-2.4 30,-2.0 -2,-0.3 2,-0.3 -0.795 33.5-171.3 -96.1 134.3 70.3 10.5 135.0 52 132 N Y E +FG 41 80D 0 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.3 -0.893 14.5 153.7-121.0 158.9 67.4 8.0 134.7 53 133 N A E - G 0 79D 0 26,-1.8 26,-2.6 -2,-0.3 2,-0.7 -0.905 49.2 -92.1 179.7 155.3 65.6 7.4 131.4 54 134 N L E -FG 38 78D 0 -16,-2.4 -16,-1.0 -2,-0.3 24,-0.2 -0.774 42.4-144.4 -86.7 106.0 63.7 4.7 129.5 55 135 N S E -FG 37 77D 10 22,-2.3 22,-1.0 -2,-0.7 -18,-0.2 -0.223 7.4-152.2 -57.8 153.5 66.1 2.6 127.3 56 136 N Q E - 0 0 13 -20,-2.1 20,-0.1 2,-0.3 -19,-0.1 0.350 42.9-110.9-106.3 -0.3 64.9 1.3 123.9 57 137 N G E S+ 0 0 50 -21,-0.4 2,-0.3 1,-0.3 19,-0.1 0.862 85.3 72.2 78.3 40.6 67.2 -1.7 123.8 58 138 N T E S- 0 0 15 -22,-0.3 -22,-1.3 7,-0.1 2,-0.3 -0.968 80.0-102.1-167.9 165.9 69.6 -0.7 121.1 59 139 N T E -F 35 0D 30 -2,-0.3 -24,-0.2 -24,-0.2 6,-0.2 -0.808 35.3-115.2-100.8 154.2 72.4 1.8 120.3 60 140 N I S S+ 0 0 3 -26,-1.4 5,-0.2 -2,-0.3 -1,-0.1 0.912 120.2 41.0 -45.2 -54.0 71.7 5.0 118.2 61 141 N R S S+ 0 0 110 -32,-0.4 -1,-0.3 -29,-0.3 4,-0.1 0.783 93.0 99.1 -70.4 -31.6 73.9 3.5 115.6 62 142 N G S > S- 0 0 22 1,-0.2 3,-2.4 2,-0.1 4,-0.2 -0.261 83.9-117.0 -62.6 145.4 72.8 -0.1 115.7 63 143 N K G > S+ 0 0 195 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.590 109.5 68.1 -59.8 -2.1 70.3 -1.2 113.0 64 144 N H G 3 S+ 0 0 161 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.349 74.8 83.1-100.8 5.2 67.6 -1.9 115.7 65 145 N S G X + 0 0 10 -3,-2.4 3,-1.0 -6,-0.2 2,-1.0 0.614 66.1 114.9 -75.7 -12.7 67.3 1.8 116.6 66 146 N N T < S+ 0 0 100 -3,-0.6 293,-0.2 1,-0.2 -1,-0.1 -0.502 79.7 15.0 -70.0 98.3 64.9 1.9 113.6 67 147 N G T > S+ 0 0 26 291,-1.5 3,-1.0 -2,-1.0 -1,-0.2 0.651 73.6 140.8 114.4 36.1 61.4 2.7 114.8 68 148 N T T < + 0 0 8 -3,-1.0 291,-0.1 290,-0.6 -2,-0.1 0.279 50.1 91.0 -92.1 11.1 62.1 3.9 118.3 69 149 N I T 3 + 0 0 55 289,-0.3 2,-0.4 283,-0.0 -1,-0.3 0.807 65.9 97.3 -71.1 -27.0 59.5 6.6 117.9 70 150 N H S < S- 0 0 130 -3,-1.0 290,-0.1 1,-0.1 3,-0.0 -0.574 70.1-149.4 -71.3 126.1 57.1 3.9 119.4 71 151 N D + 0 0 75 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.590 69.2 35.9 -64.3 -35.5 56.8 4.6 123.0 72 152 N R + 0 0 86 4,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.995 61.7 122.7-136.3 144.3 56.2 1.2 124.4 73 153 N S > - 0 0 36 -2,-0.4 3,-0.7 45,-0.0 44,-0.1 -0.946 69.6 -84.1-173.3-177.7 57.4 -2.4 123.7 74 154 N Q T 3 S+ 0 0 150 -2,-0.3 -18,-0.0 1,-0.2 -2,-0.0 0.191 117.5 65.9 -95.7 25.5 59.2 -5.2 125.4 75 155 N Y T 3 S+ 0 0 161 -20,-0.1 -1,-0.2 -19,-0.0 2,-0.1 0.447 78.9 96.0-117.4 -3.0 62.6 -3.7 124.7 76 156 N R < + 0 0 4 -3,-0.7 22,-0.3 -20,-0.1 2,-0.2 -0.402 47.1 166.9 -82.7 158.2 62.2 -0.7 126.9 77 157 N A E -G 55 0D 9 -22,-1.0 -22,-2.3 20,-0.2 2,-0.5 -0.822 43.3-104.5-172.6 129.4 63.5 -0.6 130.4 78 158 N L E +GH 54 96D 0 18,-0.8 17,-2.9 -24,-0.2 18,-1.1 -0.500 49.9 178.6 -63.6 115.8 64.2 2.1 133.1 79 159 N I E -GH 53 94D 3 -26,-2.6 -26,-1.8 -2,-0.5 2,-0.3 -0.732 11.8-160.8-117.1 169.9 68.0 2.5 133.1 80 160 N S E +GH 52 93D 0 13,-1.8 13,-2.8 -2,-0.2 -28,-0.2 -0.980 12.3 165.4-154.5 150.0 70.3 4.8 135.1 81 161 N W E -G 51 0D 0 -30,-2.0 -30,-2.4 -2,-0.3 3,-0.1 -0.984 42.0 -53.5-165.9 161.8 73.9 6.2 134.9 82 162 N P E > -G 50 0D 47 0, 0.0 3,-1.5 0, 0.0 -32,-0.2 0.066 68.1 -81.9 -43.5 146.3 76.3 8.9 136.2 83 163 N L T 3 S- 0 0 66 -34,-0.8 -33,-0.1 1,-0.3 -41,-0.0 -0.376 110.7 -7.9 -60.1 123.0 75.5 12.6 136.2 84 164 N S T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.1 280,-0.1 0.293 100.1 118.3 67.9 5.3 76.3 14.0 132.8 85 165 N S S < S- 0 0 46 -3,-1.5 -1,-0.2 1,-0.1 -60,-0.1 -0.646 75.2-100.4 -83.5 153.6 77.9 10.9 131.3 86 166 N P - 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