==== 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) 12-DEC-94 1IVE . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N2 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (STRAIN A/TOKYO/3/19 . AUTHOR M.J.JEDRZEJAS,M.LUO . 776 2 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 262 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 . 2 0.3 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 . 74 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 4 6 8 10 4 2 2 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 8 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 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 82 A V 0 0 147 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 160.2 15.3 9.8 -9.3 2 83 A E - 0 0 159 103,-0.2 2,-0.3 104,-0.0 0, 0.0 -0.739 360.0 -97.4-108.6 175.2 14.6 13.0 -11.2 3 84 A Y - 0 0 69 -2,-0.3 2,-0.5 150,-0.1 102,-0.2 -0.693 37.5 -95.9 -88.5 156.4 17.3 14.8 -13.2 4 85 A R + 0 0 38 100,-2.2 149,-1.9 -2,-0.3 150,-0.5 -0.513 45.3 165.2 -64.3 113.8 19.4 17.8 -12.0 5 86 A N - 0 0 61 -2,-0.5 -1,-0.1 147,-0.3 147,-0.1 0.369 32.0-146.7-109.8 -5.4 17.8 20.9 -13.4 6 87 A W + 0 0 11 1,-0.2 2,-1.8 145,-0.1 197,-0.4 0.568 35.8 158.7 43.3 34.2 19.7 23.4 -11.2 7 88 A S + 0 0 62 196,-0.1 -1,-0.2 195,-0.1 195,-0.1 -0.414 31.6 107.4 -86.0 67.9 16.8 26.0 -10.8 8 89 A K S S- 0 0 63 -2,-1.8 195,-0.2 -3,-0.0 329,-0.2 -0.995 73.9 -96.5-132.8 149.2 18.0 27.8 -7.6 9 90 A P - 0 0 93 0, 0.0 328,-2.9 0, 0.0 2,-0.2 -0.105 45.5-101.2 -49.0 149.4 19.4 31.3 -7.1 10 91 A Q B -a 337 0A 45 326,-0.2 2,-0.4 1,-0.1 328,-0.2 -0.550 44.4-108.3 -65.4 139.6 23.2 31.7 -6.8 11 92 A a - 0 0 19 326,-2.0 328,-0.2 -2,-0.2 2,-0.1 -0.662 30.4-118.3 -70.2 129.4 24.2 32.0 -3.1 12 93 A Q - 0 0 135 -2,-0.4 2,-0.3 326,-0.1 -1,-0.0 -0.413 41.4-160.0 -58.7 139.6 25.3 35.6 -2.3 13 94 A I - 0 0 16 356,-0.1 356,-0.3 1,-0.1 3,-0.1 -0.997 35.8-166.0-140.8 158.6 28.9 35.3 -1.1 14 95 A T S S- 0 0 59 354,-2.8 2,-0.3 -2,-0.3 355,-0.2 0.385 73.0 -62.3-116.2 -11.3 31.5 37.3 0.9 15 96 A G E -B 368 0A 0 353,-1.0 353,-1.8 281,-0.1 2,-0.4 -0.985 69.6 -54.9 150.9-152.5 34.5 35.3 -0.2 16 97 A F E -B 367 0A 2 -2,-0.3 351,-0.3 351,-0.3 324,-0.1 -0.987 31.6-155.8-140.8 132.4 35.8 31.7 0.1 17 98 A A E -B 366 0A 34 349,-3.0 349,-2.5 -2,-0.4 355,-0.1 -0.812 38.0 -95.2-100.3 145.5 36.5 29.3 3.0 18 99 A P E +B 365 0A 75 0, 0.0 347,-0.3 0, 0.0 -1,-0.1 -0.178 44.6 168.4 -55.9 152.4 38.9 26.4 2.8 19 100 A F E - 0 0 113 345,-2.7 2,-0.3 1,-0.4 346,-0.2 0.614 51.8 -13.6-131.2 -43.1 37.5 23.0 1.9 20 101 A S E +B 364 0A 28 344,-1.7 344,-2.5 63,-0.0 -1,-0.4 -0.952 40.6 178.8-163.7 165.1 40.1 20.4 1.0 21 102 A K E -B 363 0A 55 -2,-0.3 342,-0.2 342,-0.3 358,-0.0 -0.884 12.7-158.7-177.2 143.6 43.7 19.7 0.2 22 103 A D - 0 0 7 340,-1.3 5,-0.1 -2,-0.3 341,-0.1 0.517 19.1-142.5-119.3 -11.1 45.4 16.3 -0.4 23 104 A N >> + 0 0 62 339,-0.5 4,-1.8 1,-0.1 3,-0.9 0.534 39.9 160.0 58.4 19.9 49.1 16.8 0.2 24 105 A S H 3> + 0 0 7 1,-0.3 4,-1.3 2,-0.2 337,-0.1 0.685 65.5 48.7 -42.0 -44.3 49.9 14.5 -2.8 25 106 A I H 34 S+ 0 0 0 2,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.913 109.9 49.3 -72.1 -40.9 53.5 15.6 -3.4 26 107 A R H X4 S+ 0 0 151 -3,-0.9 3,-1.7 353,-0.2 4,-0.2 0.936 109.3 55.3 -59.5 -45.6 54.7 15.4 0.3 27 108 A L H >< S+ 0 0 80 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.828 96.6 63.8 -56.6 -32.0 53.2 11.9 0.5 28 109 A S G >< S+ 0 0 1 -4,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.479 84.9 75.6 -73.6 -7.6 55.1 10.6 -2.6 29 110 A A G < S+ 0 0 49 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.546 122.7 6.8 -83.1 -17.7 58.4 11.2 -0.7 30 111 A G G < S+ 0 0 78 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.3 -0.325 124.5 69.8-153.9 68.3 57.6 8.0 1.2 31 112 A G S < S- 0 0 29 -3,-0.5 2,-0.9 2,-0.1 29,-0.2 -0.968 81.8-102.9-173.8 163.6 54.5 6.6 -0.5 32 113 A D + 0 0 62 -2,-0.3 56,-0.5 27,-0.1 2,-0.4 -0.714 57.3 163.3-106.2 81.3 53.2 5.0 -3.7 33 114 A I B -E 87 0B 14 -2,-0.9 26,-1.9 54,-0.2 27,-0.2 -0.814 37.3-109.7-118.1 133.7 51.5 7.9 -5.4 34 115 A W B -F 58 0C 3 52,-2.3 2,-0.4 -2,-0.4 24,-0.3 -0.307 22.6-128.0 -56.0 135.5 50.3 8.6 -8.9 35 116 A V + 0 0 0 22,-2.1 20,-2.6 324,-0.1 22,-0.4 -0.760 50.8 146.0 -80.6 124.0 52.0 11.1 -11.3 36 117 A T - 0 0 7 -2,-0.4 2,-0.2 18,-0.3 18,-0.2 -0.532 28.3-174.8-135.9-174.2 49.3 13.4 -12.6 37 118 A R + 0 0 29 -2,-0.2 16,-2.0 16,-0.1 323,-0.0 -0.742 58.4 53.0-178.7-175.9 48.3 16.8 -13.8 38 119 A E S S- 0 0 8 -2,-0.2 15,-0.2 14,-0.2 -1,-0.0 0.970 70.9-174.4 37.9 74.2 45.2 18.8 -14.9 39 120 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.174 12.7 172.4 -75.3 169.1 43.0 18.1 -11.9 40 121 A Y E -G 51 0D 1 11,-1.6 11,-2.7 107,-0.1 2,-0.4 -0.929 20.5-139.4-159.2 170.9 39.4 19.0 -11.3 41 122 A V E +G 50 0D 0 -2,-0.3 107,-0.3 9,-0.2 2,-0.3 -0.980 22.0 169.0-135.7 140.0 36.7 18.2 -8.8 42 123 A S E -G 49 0D 0 7,-1.5 7,-3.0 -2,-0.4 2,-0.4 -0.949 20.6-133.4-141.1 159.6 33.0 17.6 -9.5 43 124 A b E -G 48 0D 6 -2,-0.3 5,-0.3 5,-0.3 60,-0.3 -0.969 4.4-146.5-131.0 128.2 30.1 16.3 -7.3 44 125 A D - 0 0 19 3,-1.8 3,-0.4 -2,-0.4 60,-0.0 -0.428 57.3 -85.1 -67.1 167.7 27.3 13.7 -7.6 45 126 A P S S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.509 127.9 31.4 -63.5 0.3 24.2 14.9 -5.7 46 127 A V S S+ 0 0 119 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.598 125.3 8.2-128.0 -29.2 25.5 13.5 -2.3 47 128 A K - 0 0 83 -3,-0.4 -3,-1.8 34,-0.0 2,-0.4 -0.984 63.7-114.7-152.5 172.5 29.3 13.8 -2.5 48 129 A b E -G 43 0D 21 -2,-0.3 34,-3.3 -5,-0.3 2,-0.3 -0.860 20.7-162.9-113.0 147.3 32.4 15.2 -4.4 49 130 A Y E -GH 42 81D 42 -7,-3.0 -7,-1.5 -2,-0.4 2,-0.4 -0.742 15.6-131.0-122.8 152.0 35.2 13.4 -6.2 50 131 A Q E -GH 41 80D 2 30,-2.3 30,-2.0 -2,-0.3 2,-0.3 -0.880 24.3-166.4-101.3 144.1 38.6 14.5 -7.3 51 132 A F E +GH 40 79D 1 -11,-2.7 -11,-1.6 -2,-0.4 2,-0.3 -0.930 12.1 162.1-124.4 148.5 39.8 13.7 -10.9 52 133 A A E - H 0 78D 2 26,-1.3 26,-3.0 -2,-0.3 2,-0.8 -0.979 40.6-108.7-158.9 158.2 43.1 13.9 -12.7 53 134 A L E - H 0 77D 0 -16,-2.0 24,-0.2 -2,-0.3 -16,-0.1 -0.838 38.2-150.9 -86.3 109.6 45.1 12.7 -15.7 54 135 A G E - H 0 76D 0 22,-2.3 22,-0.5 -2,-0.8 -18,-0.3 -0.315 14.8-134.4 -70.1 163.1 47.6 10.1 -14.6 55 136 A Q - 0 0 7 -20,-2.6 20,-0.2 2,-0.4 -19,-0.1 -0.104 50.9-100.6-105.2 36.0 50.9 9.6 -16.4 56 137 A G S S+ 0 0 0 18,-0.5 2,-0.3 1,-0.2 19,-0.1 0.715 97.9 74.4 52.2 21.6 50.6 5.8 -16.4 57 138 A T S S- 0 0 0 -22,-0.4 -22,-2.1 358,-0.1 -2,-0.4 -0.846 73.5-121.5-156.2 166.5 53.0 5.9 -13.5 58 139 A T B -F 34 0C 1 -24,-0.3 3,-0.2 -2,-0.3 -24,-0.2 -0.747 37.7-110.7-107.7 167.3 53.9 6.6 -9.8 59 140 A L S S+ 0 0 1 -26,-1.9 2,-1.3 -2,-0.3 5,-0.1 0.810 109.3 58.1 -78.6 -35.0 56.5 9.0 -8.7 60 141 A D S S+ 0 0 91 -29,-0.2 2,-0.3 -27,-0.2 -1,-0.2 -0.590 90.5 103.5 -92.3 73.6 59.2 6.7 -7.2 61 142 A N S > S- 0 0 7 -2,-1.3 3,-3.7 -3,-0.2 4,-0.3 -0.891 76.7-133.0-165.4 109.3 59.4 5.0 -10.6 62 143 A K G > S+ 0 0 139 356,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.818 108.0 69.5 -39.8 -32.3 62.1 5.2 -13.3 63 144 A H G 3 S+ 0 0 12 1,-0.2 -1,-0.3 352,-0.2 -4,-0.1 0.526 80.5 75.7 -62.1 -6.3 59.1 5.5 -15.6 64 145 A S G X + 0 0 0 -3,-3.7 3,-1.1 -5,-0.1 294,-0.4 0.611 68.7 114.5 -88.6 -13.0 58.4 9.0 -14.2 65 146 A N T < S+ 0 0 63 -3,-1.5 292,-0.2 -4,-0.3 323,-0.0 -0.323 80.8 10.5 -52.8 133.6 61.2 10.6 -16.1 66 147 A D T > S+ 0 0 86 290,-1.7 3,-1.2 1,-0.1 -1,-0.2 0.747 73.7 148.5 64.5 31.6 60.2 13.1 -18.8 67 148 A T T < + 0 0 9 -3,-1.1 290,-0.1 289,-0.4 -2,-0.1 0.399 44.8 97.3 -86.2 13.4 56.5 13.4 -17.7 68 149 A V T 3 + 0 0 44 288,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.804 61.1 101.8 -51.9 -39.9 56.5 17.0 -18.9 69 150 A H < - 0 0 99 -3,-1.2 289,-0.1 1,-0.1 3,-0.1 -0.415 64.8-154.1 -57.6 132.4 55.0 15.7 -22.1 70 151 A D S S+ 0 0 76 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.736 70.6 48.6 -76.8 -37.5 51.2 16.1 -22.2 71 152 A R + 0 0 88 3,-0.0 -1,-0.1 -16,-0.0 46,-0.1 -0.962 59.0 135.1-122.0 113.9 50.1 13.3 -24.5 72 153 A I > - 0 0 43 -2,-0.5 3,-1.0 -3,-0.1 24,-0.1 -0.956 60.9-105.0-142.0 168.2 51.0 9.6 -24.3 73 154 A P T 3 S+ 0 0 43 0, 0.0 23,-0.1 0, 0.0 -17,-0.1 0.716 113.3 61.1 -69.7 -12.5 49.0 6.3 -24.6 74 155 A H T 3 S+ 0 0 14 -19,-0.1 -18,-0.5 21,-0.1 2,-0.1 0.511 70.5 110.7 -96.6 -8.2 49.3 5.7 -20.9 75 156 A R < + 0 0 0 -3,-1.0 21,-1.6 -20,-0.2 2,-0.3 -0.440 46.0 177.1 -61.9 145.5 47.4 8.8 -19.4 76 157 A T E -HI 54 95D 0 -22,-0.5 -22,-2.3 19,-0.2 2,-0.8 -0.979 36.0-101.0-154.7 147.0 44.1 7.7 -17.9 77 158 A L E -H 53 0D 0 17,-1.8 16,-3.7 -2,-0.3 17,-0.4 -0.712 38.1-160.2 -82.3 108.9 41.3 9.4 -16.0 78 159 A L E -HI 52 92D 0 -26,-3.0 -26,-1.3 -2,-0.8 2,-0.3 -0.598 8.1-172.9 -80.5 150.0 41.7 8.9 -12.2 79 160 A M E +HI 51 91D 35 12,-1.0 12,-0.6 -2,-0.2 2,-0.3 -0.976 13.3 153.2-147.0 124.4 38.7 9.3 -9.8 80 161 A N E -H 50 0D 22 -30,-2.0 -30,-2.3 -2,-0.3 3,-0.1 -0.941 52.7 -82.5-134.0 165.9 38.6 9.2 -5.9 81 162 A E E > -H 49 0D 86 -2,-0.3 3,-1.3 -32,-0.3 2,-0.3 -0.416 67.5 -83.5 -60.5 146.6 36.4 10.7 -3.2 82 163 A L T 3 S+ 0 0 31 -34,-3.3 -1,-0.1 1,-0.2 -34,-0.1 -0.388 116.9 22.0 -58.0 108.7 37.5 14.3 -2.5 83 164 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.2 -2,-0.3 -34,-0.1 -0.007 91.3 99.7 126.3 -31.1 40.4 14.0 -0.1 84 165 A V S < S- 0 0 53 -3,-1.3 -1,-0.4 1,-0.0 -34,-0.2 -0.786 73.5-130.5 -80.8 121.1 41.7 10.5 -0.5 85 166 A P - 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