==== 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 1IVC . 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) . 26049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 61.1 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 . 270 34.8 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 . 18 2.3 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 . 80 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.2 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 . 4 2 2 6 10 8 6 0 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 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 0 131 0, 0.0 2,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 112.3 15.3 9.8 -8.7 2 83 A E - 0 0 176 1,-0.1 2,-0.3 103,-0.1 0, 0.0 -0.240 360.0-102.7 -84.3 175.1 14.6 13.1 -10.5 3 84 A Y - 0 0 76 -2,-0.1 2,-0.7 103,-0.1 102,-0.2 -0.692 35.8-101.9 -97.0 158.1 17.0 14.8 -12.8 4 85 A R + 0 0 27 100,-2.5 149,-2.2 -2,-0.3 150,-0.4 -0.720 44.0 165.0 -81.4 110.5 19.1 17.9 -11.8 5 86 A N - 0 0 61 -2,-0.7 -1,-0.2 147,-0.3 3,-0.1 0.336 37.4-142.9-104.0 1.0 17.3 20.9 -13.3 6 87 A W + 0 0 7 1,-0.2 2,-1.7 145,-0.1 197,-0.5 0.663 35.5 165.8 42.8 33.2 19.4 23.2 -11.0 7 88 A S + 0 0 55 195,-0.1 -1,-0.2 329,-0.1 -2,-0.0 -0.510 32.2 98.9 -77.5 78.8 16.4 25.6 -10.5 8 89 A K S S- 0 0 64 -2,-1.7 329,-0.3 -3,-0.1 195,-0.2 -0.970 76.6 -86.3-162.0 148.8 17.6 27.7 -7.5 9 90 A P - 0 0 91 0, 0.0 328,-3.1 0, 0.0 2,-0.4 -0.050 44.6-110.8 -53.6 145.2 19.2 31.1 -6.8 10 91 A Q B -a 337 0A 32 326,-0.2 328,-0.2 1,-0.1 2,-0.1 -0.689 47.8-105.8 -74.7 132.8 23.0 31.3 -6.8 11 92 A a - 0 0 23 326,-1.3 2,-1.3 -2,-0.4 328,-0.2 -0.401 25.9-115.9 -63.1 144.2 23.8 31.8 -3.2 12 93 A Q - 0 0 126 -2,-0.1 2,-0.1 326,-0.1 -1,-0.1 -0.716 43.9-161.6 -81.6 95.8 24.9 35.3 -2.3 13 94 A I - 0 0 14 -2,-1.3 356,-0.3 1,-0.1 3,-0.1 -0.450 27.4-162.8 -82.6 161.6 28.5 34.6 -1.2 14 95 A T - 0 0 61 354,-4.3 2,-0.3 1,-0.5 355,-0.2 0.318 69.2 -60.0-120.5 -1.4 30.8 36.7 0.9 15 96 A G E -B 368 0A 0 353,-0.9 353,-3.2 356,-0.1 -1,-0.5 -0.932 69.2 -58.7 148.0-165.8 33.9 34.9 -0.1 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.3 324,-0.1 -0.892 33.0-160.4-120.2 140.7 35.4 31.4 0.1 17 98 A A E -B 366 0A 32 349,-2.4 349,-2.5 -2,-0.4 355,-0.1 -0.888 40.5 -89.1-114.1 144.2 36.2 29.1 3.0 18 99 A P E +B 365 0A 81 0, 0.0 347,-0.3 0, 0.0 3,-0.1 -0.266 46.7 171.3 -55.5 137.9 38.6 26.2 2.9 19 100 A F E - 0 0 107 345,-3.4 2,-0.3 1,-0.4 346,-0.2 0.793 52.2 -18.3-116.1 -47.2 37.0 22.9 1.8 20 101 A S E -B 364 0A 28 344,-1.7 344,-2.7 63,-0.0 -1,-0.4 -0.969 42.9-174.5-160.6 162.6 39.5 20.1 1.1 21 102 A K E -B 363 0A 57 -2,-0.3 342,-0.2 342,-0.2 358,-0.0 -0.914 9.4-161.2-159.2 143.4 43.2 19.5 0.3 22 103 A D - 0 0 5 340,-0.9 341,-0.1 -2,-0.3 5,-0.1 0.668 18.9-144.0-110.9 -17.7 44.8 16.1 -0.6 23 104 A N > + 0 0 57 339,-0.5 4,-2.6 3,-0.1 5,-0.2 0.764 38.0 158.6 59.5 36.1 48.5 16.5 0.1 24 105 A S H > + 0 0 3 2,-0.2 4,-2.0 1,-0.2 337,-0.2 0.898 66.8 45.0 -55.5 -54.2 49.6 14.3 -2.8 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.936 115.0 49.6 -61.2 -43.1 53.2 15.5 -3.4 26 107 A R H >4 S+ 0 0 152 353,-0.3 3,-1.2 1,-0.2 -1,-0.2 0.939 114.2 44.7 -59.7 -45.5 53.9 15.4 0.3 27 108 A L H >< S+ 0 0 79 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.752 100.5 72.2 -68.7 -25.3 52.5 11.9 0.6 28 109 A S T 3< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.523 82.1 69.8 -70.6 -8.7 54.3 10.8 -2.6 29 110 A A T < S+ 0 0 44 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.292 118.6 17.2 -90.8 6.7 57.7 10.8 -0.9 30 111 A G S < S+ 0 0 71 -3,-1.4 -1,-0.2 1,-0.2 2,-0.2 -0.170 122.0 48.3-173.0 60.3 56.8 7.8 1.1 31 112 A G S S- 0 0 32 -3,-0.5 2,-1.1 2,-0.1 29,-0.3 -0.805 86.2 -93.2 168.0 154.4 53.8 6.2 -0.5 32 113 A D + 0 0 55 -2,-0.2 56,-0.8 27,-0.1 2,-0.4 -0.766 55.5 158.5 -93.8 97.9 52.6 5.0 -3.9 33 114 A I B -E 87 0B 14 -2,-1.1 26,-1.7 54,-0.2 54,-0.2 -0.974 40.6-109.1-120.8 132.4 50.6 7.9 -5.2 34 115 A W B -F 58 0C 2 52,-2.8 2,-0.5 -2,-0.4 24,-0.3 -0.102 23.7-118.1 -57.7 157.6 49.9 8.4 -8.9 35 116 A V + 0 0 0 22,-1.9 20,-1.5 324,-0.1 22,-0.3 -0.855 52.0 156.8 -95.9 126.2 51.5 11.1 -11.1 36 117 A T + 0 0 4 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.608 22.3 174.8-135.6-166.9 48.7 13.3 -12.4 37 118 A R + 0 0 27 16,-0.3 16,-2.0 -2,-0.2 323,-0.1 -0.866 58.6 54.4 171.5 173.5 47.8 16.7 -13.8 38 119 A E S S+ 0 0 12 -2,-0.3 15,-0.2 14,-0.2 -1,-0.1 0.924 76.3 176.3 44.7 58.8 44.8 18.7 -15.2 39 120 A P + 0 0 1 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.074 12.8 164.9 -80.3-179.6 42.7 17.8 -12.1 40 121 A Y E -G 51 0D 1 11,-1.8 11,-3.2 107,-0.1 2,-0.3 -0.928 23.1-129.2 177.0 166.8 39.1 18.9 -11.2 41 122 A V E +G 50 0D 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.977 21.8 166.5-137.5 152.3 36.3 18.1 -8.9 42 123 A S E -G 49 0D 0 7,-1.4 7,-2.5 -2,-0.3 2,-0.3 -0.964 20.5-138.8-159.1 146.9 32.5 17.4 -9.3 43 124 A b E -G 48 0D 4 287,-0.4 60,-0.3 -2,-0.3 5,-0.3 -0.870 4.3-143.2-118.9 149.9 29.8 16.0 -7.0 44 125 A D - 0 0 18 3,-2.7 60,-0.0 -2,-0.3 62,-0.0 -0.253 58.7 -75.8 -87.3-175.6 26.9 13.7 -7.6 45 126 A P S S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.646 131.0 28.1 -65.8 -4.5 23.7 14.6 -5.6 46 127 A V S S+ 0 0 122 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.742 123.5 11.1-122.0 -38.6 25.3 13.2 -2.4 47 128 A K - 0 0 79 -5,-0.0 -3,-2.7 34,-0.0 2,-0.3 -0.949 62.1-117.1-145.4 164.9 29.1 13.5 -2.5 48 129 A b E -G 43 0D 18 -2,-0.3 34,-3.5 -5,-0.3 -5,-0.3 -0.791 22.5-169.0-103.6 148.9 32.1 15.0 -4.3 49 130 A Y E -GH 42 81D 42 -7,-2.5 -7,-1.4 -2,-0.3 2,-0.4 -0.710 16.2-131.1-126.9 167.7 34.9 13.3 -6.1 50 131 A Q E -GH 41 80D 1 30,-2.5 30,-1.9 -2,-0.2 2,-0.3 -0.986 20.5-165.5-127.7 134.0 38.2 14.4 -7.5 51 132 A F E +GH 40 79D 1 -11,-3.2 -11,-1.8 -2,-0.4 2,-0.2 -0.746 13.7 161.1-113.8 167.8 39.4 13.6 -10.9 52 133 A A E - H 0 78D 0 26,-0.8 26,-2.8 -13,-0.3 2,-0.8 -0.852 41.9-112.5 179.2 145.9 42.8 13.9 -12.6 53 134 A L E - H 0 77D 0 -16,-2.0 -16,-0.3 -2,-0.2 24,-0.2 -0.839 39.2-153.5 -92.0 110.5 44.4 12.4 -15.7 54 135 A G - 0 0 0 22,-1.8 -18,-0.3 -2,-0.8 42,-0.1 -0.092 18.0-124.4 -71.9-176.8 47.2 10.2 -14.3 55 136 A Q - 0 0 8 -20,-1.5 20,-0.2 2,-0.4 19,-0.1 -0.050 50.1-100.2-120.4 28.8 50.3 9.4 -16.3 56 137 A G S S+ 0 0 0 18,-0.3 2,-0.3 1,-0.2 19,-0.1 0.874 96.7 63.2 54.1 41.4 49.9 5.6 -16.1 57 138 A T S S- 0 0 0 -22,-0.3 -22,-1.9 359,-0.1 -2,-0.4 -0.985 78.3-101.7-172.7 179.3 52.5 5.5 -13.3 58 139 A T B -F 34 0C 0 -2,-0.3 3,-0.3 -24,-0.3 -24,-0.2 -0.817 30.6-120.0-118.9 153.5 53.6 6.4 -9.8 59 140 A L S S+ 0 0 1 -26,-1.7 2,-2.1 -2,-0.3 5,-0.3 0.925 109.8 54.1 -61.3 -51.7 56.0 9.1 -8.7 60 141 A D S S+ 0 0 86 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.3 -0.493 94.6 97.2 -87.1 69.1 58.5 6.8 -7.0 61 142 A N S > S- 0 0 9 -2,-2.1 3,-2.5 -3,-0.3 4,-0.3 -0.955 82.5-125.8-156.4 132.4 58.8 4.8 -10.2 62 143 A K G > S+ 0 0 136 356,-0.4 3,-1.2 -2,-0.3 713,-0.1 0.752 107.5 71.7 -56.6 -20.2 61.4 5.2 -12.9 63 144 A H G 3 S+ 0 0 11 1,-0.2 -1,-0.3 352,-0.2 -4,-0.1 0.519 78.7 73.6 -73.0 -10.2 58.5 5.6 -15.3 64 145 A S G X S+ 0 0 0 -3,-2.5 3,-1.2 -5,-0.3 294,-0.3 0.636 70.0 113.1 -78.2 -17.1 57.7 9.0 -13.9 65 146 A N T < S+ 0 0 76 -3,-1.2 292,-0.2 -4,-0.3 323,-0.0 -0.297 83.6 13.3 -54.1 134.1 60.7 10.4 -15.8 66 147 A D T > S+ 0 0 93 290,-1.8 3,-0.8 1,-0.1 -1,-0.3 0.785 76.7 145.2 65.9 35.1 59.7 12.8 -18.6 67 148 A T T < + 0 0 9 -3,-1.2 -1,-0.1 289,-0.5 290,-0.1 0.251 43.5 97.5 -86.5 14.4 56.1 13.1 -17.4 68 149 A V T 3 + 0 0 44 288,-0.2 2,-0.2 289,-0.0 -1,-0.2 0.828 60.8 98.1 -70.0 -31.7 56.0 16.8 -18.6 69 150 A H < - 0 0 93 -3,-0.8 3,-0.2 1,-0.1 0, 0.0 -0.401 66.8-149.6 -63.7 129.1 54.4 15.6 -21.9 70 151 A D S S+ 0 0 70 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.777 74.4 46.6 -71.2 -33.0 50.6 16.0 -21.9 71 152 A R + 0 0 92 3,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.827 55.1 137.2-131.2 103.2 49.5 13.2 -24.2 72 153 A I > - 0 0 43 -2,-0.5 3,-1.1 -3,-0.2 43,-0.1 -0.804 60.8-109.6-124.5 162.5 50.6 9.5 -24.0 73 154 A P T 3 S+ 0 0 38 0, 0.0 -17,-0.1 0, 0.0 23,-0.1 0.625 110.6 69.8 -72.2 -7.5 48.3 6.5 -24.4 74 155 A H T 3 + 0 0 16 -19,-0.1 2,-0.4 21,-0.1 -18,-0.3 0.571 68.4 108.5 -87.4 -5.9 48.7 5.7 -20.7 75 156 A R < + 0 0 1 -3,-1.1 21,-1.8 -20,-0.2 2,-0.3 -0.584 44.5 170.8 -77.4 124.8 46.8 8.6 -19.4 76 157 A T E - I 0 95D 0 -2,-0.4 -22,-1.8 19,-0.3 2,-0.7 -0.892 39.9 -98.7-129.8 155.6 43.5 7.4 -18.0 77 158 A L E -HI 53 94D 0 17,-2.4 16,-2.2 -2,-0.3 17,-0.5 -0.742 37.3-156.2 -86.7 113.0 40.9 9.4 -15.9 78 159 A L E -HI 52 92D 0 -26,-2.8 -26,-0.8 -2,-0.7 2,-0.3 -0.615 9.1-170.5 -86.0 148.8 41.2 8.7 -12.1 79 160 A M E +HI 51 91D 18 12,-1.2 12,-0.6 -2,-0.2 2,-0.3 -0.950 13.9 154.4-147.9 118.7 38.3 9.2 -9.7 80 161 A N E -H 50 0D 24 -30,-1.9 -30,-2.5 -2,-0.3 3,-0.1 -0.904 50.8 -84.4-135.6 161.6 38.1 9.1 -5.8 81 162 A E E > -H 49 0D 97 -2,-0.3 3,-1.9 -32,-0.3 -32,-0.3 -0.352 67.3 -83.2 -60.0 151.8 35.9 10.7 -3.1 82 163 A L T 3 S+ 0 0 30 -34,-3.5 -1,-0.1 1,-0.2 -34,-0.1 -0.373 118.1 28.8 -63.7 120.7 37.0 14.2 -2.4 83 164 A G T 3 S+ 0 0 34 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.300 91.0 106.8 116.9 -11.4 39.9 14.0 0.1 84 165 A V < - 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