==== 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 1IVD . 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) . 26162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 238 30.7 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 . 16 2.1 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 . 4 0.5 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 . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 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 PARALLEL BRIDGES PER LADDER . 14 4 4 10 2 6 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 2 2 8 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 0 145 0, 0.0 2,-0.1 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 107.9 15.0 9.6 -8.8 2 83 A E - 0 0 161 1,-0.1 2,-0.2 103,-0.1 0, 0.0 -0.328 360.0 -77.5 -85.5-177.5 13.5 12.7 -10.6 3 84 A Y - 0 0 73 -2,-0.1 2,-1.1 150,-0.1 102,-0.2 -0.501 28.8-110.9 -95.3 163.7 15.9 14.9 -12.6 4 85 A R + 0 0 32 100,-1.3 149,-1.2 -2,-0.2 150,-0.3 -0.718 46.8 157.6 -85.2 99.3 18.5 17.6 -11.8 5 86 A N - 0 0 68 -2,-1.1 -1,-0.2 147,-0.3 3,-0.1 0.259 38.9-142.9-105.8 -0.6 16.7 20.7 -13.2 6 87 A W + 0 0 13 1,-0.2 2,-1.0 197,-0.0 331,-0.1 0.440 39.7 157.0 50.8 3.2 18.6 23.3 -11.1 7 88 A S + 0 0 68 197,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.475 40.4 95.5 -59.5 99.7 15.5 25.6 -10.8 8 89 A K S S- 0 0 73 -2,-1.0 329,-0.3 -3,-0.1 328,-0.1 -0.687 79.5 -88.4 172.9 134.6 16.7 27.4 -7.6 9 90 A P - 0 0 88 0, 0.0 328,-1.9 0, 0.0 326,-0.1 -0.085 36.4-118.4 -56.6 143.2 18.6 30.7 -6.9 10 91 A Q B -a 337 0A 43 326,-0.3 2,-0.3 1,-0.1 328,-0.2 -0.433 42.3 -97.9 -74.9 159.4 22.4 31.0 -6.8 11 92 A a - 0 0 22 326,-1.6 2,-2.0 -2,-0.1 328,-0.2 -0.635 18.5-127.1 -86.5 137.1 23.7 32.0 -3.4 12 93 A Q - 0 0 130 -2,-0.3 -1,-0.1 355,-0.1 263,-0.1 -0.624 44.3-165.0 -77.5 83.0 24.7 35.6 -2.6 13 94 A I - 0 0 11 -2,-2.0 356,-0.2 1,-0.1 3,-0.1 -0.225 25.2-159.7 -68.3 168.2 28.1 34.6 -1.5 14 95 A T - 0 0 57 354,-3.0 2,-0.3 1,-0.6 355,-0.2 0.245 64.3 -54.1-132.1 4.2 30.5 36.8 0.5 15 96 A G E -B 368 0A 0 353,-0.5 353,-1.8 281,-0.1 -1,-0.6 -0.828 69.0 -63.5 142.6-178.7 33.8 35.1 -0.2 16 97 A F E -B 367 0A 2 -2,-0.3 351,-0.2 351,-0.2 279,-0.1 -0.865 31.1-166.9-115.0 140.1 35.4 31.7 0.0 17 98 A A E -B 366 0A 33 349,-1.2 349,-1.6 -2,-0.4 2,-0.2 -0.861 39.0 -91.7-112.2 145.6 36.2 29.5 3.0 18 99 A P E +B 365 0A 76 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.406 46.1 161.1 -67.9 137.7 38.5 26.3 2.8 19 100 A F E + 0 0 111 345,-2.4 2,-0.4 1,-0.2 346,-0.2 0.760 55.4 10.2-117.6 -56.0 37.0 22.9 2.0 20 101 A S E +B 364 0A 25 344,-1.8 344,-1.7 2,-0.0 2,-0.3 -0.989 40.0 162.2-149.0 141.3 39.6 20.4 0.8 21 102 A K E -B 363 0A 53 -2,-0.4 342,-0.2 342,-0.2 358,-0.0 -0.886 11.8-170.3-139.1 154.7 43.3 19.8 0.3 22 103 A D - 0 0 8 340,-1.1 5,-0.1 -2,-0.3 341,-0.1 0.526 27.2-135.9-127.7 -18.1 44.7 16.3 -0.2 23 104 A N >> + 0 0 55 339,-0.6 4,-1.9 3,-0.1 3,-0.6 0.721 36.9 170.0 68.0 25.4 48.5 16.8 0.0 24 105 A S H 3> S+ 0 0 3 1,-0.3 4,-1.1 2,-0.2 337,-0.1 0.702 72.2 41.3 -37.9 -46.4 49.0 14.5 -3.0 25 106 A I H 34 S+ 0 0 0 2,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.870 111.7 54.5 -73.8 -45.9 52.7 15.3 -3.5 26 107 A R H X4 S+ 0 0 138 -3,-0.6 3,-2.2 1,-0.2 4,-0.4 0.975 112.6 41.9 -51.8 -58.8 53.6 15.2 0.2 27 108 A L H >X S+ 0 0 82 -4,-1.9 3,-2.7 1,-0.3 4,-1.6 0.864 100.3 75.7 -58.6 -32.9 52.2 11.7 0.7 28 109 A S T 3< S+ 0 0 1 -4,-1.1 -1,-0.3 -5,-0.4 5,-0.2 0.590 90.1 58.3 -53.8 -13.7 53.8 10.9 -2.6 29 110 A A T <4 S+ 0 0 51 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.682 118.6 27.2 -89.9 -21.4 57.1 10.8 -0.7 30 111 A G T <4 S+ 0 0 79 -3,-2.7 2,-0.3 -4,-0.4 -2,-0.2 0.369 124.9 36.3-119.5 3.8 55.9 8.1 1.7 31 112 A G S < S- 0 0 27 -4,-1.6 2,-1.1 -5,-0.1 29,-0.2 -0.902 87.9 -89.9-148.7 173.8 53.3 6.3 -0.4 32 113 A D + 0 0 61 -2,-0.3 56,-0.9 27,-0.1 2,-0.4 -0.760 53.6 170.8 -94.2 97.4 52.4 5.0 -3.9 33 114 A I B -E 87 0B 13 -2,-1.1 26,-2.1 -5,-0.2 54,-0.2 -0.889 33.2-109.7-112.8 139.0 50.5 7.9 -5.4 34 115 A W B -F 58 0C 0 52,-2.9 2,-0.6 -2,-0.4 24,-0.3 -0.039 29.9-113.0 -57.9 158.6 49.4 8.3 -9.0 35 116 A V + 0 0 0 22,-1.1 20,-0.6 23,-0.1 22,-0.3 -0.909 52.4 165.3 -95.9 125.1 51.0 10.8 -11.3 36 117 A T + 0 0 4 -2,-0.6 2,-0.2 18,-0.2 18,-0.2 -0.440 23.2 160.9-126.8-166.0 48.4 13.4 -12.2 37 118 A R + 0 0 29 16,-0.2 16,-2.0 -2,-0.1 323,-0.1 -0.783 60.4 49.7 159.7 167.6 47.6 16.9 -13.6 38 119 A E S S+ 0 0 4 -2,-0.2 16,-0.0 14,-0.2 288,-0.0 0.827 75.2 171.7 47.0 54.3 44.5 18.7 -15.0 39 120 A P + 0 0 2 0, 0.0 13,-0.3 0, 0.0 2,-0.2 0.107 14.1 167.9 -78.1-173.0 42.2 17.8 -12.1 40 121 A Y E -G 51 0D 1 11,-1.4 11,-3.6 107,-0.1 2,-0.4 -0.823 23.7-129.0 168.5 157.1 38.7 19.0 -11.1 41 122 A V E +G 50 0D 2 9,-0.3 107,-0.3 -2,-0.2 2,-0.3 -0.968 24.4 167.9-131.4 147.5 36.0 18.0 -8.8 42 123 A S E -G 49 0D 0 7,-1.4 7,-3.3 -2,-0.4 2,-0.3 -0.970 14.7-149.9-149.9 159.0 32.3 17.3 -9.3 43 124 A b E -G 48 0D 12 -2,-0.3 60,-0.3 5,-0.3 5,-0.2 -0.954 9.5-142.8-141.9 152.6 29.5 15.8 -7.2 44 125 A D - 0 0 15 3,-1.8 62,-0.1 -2,-0.3 60,-0.0 -0.406 63.0 -71.5 -95.7-178.9 26.2 13.8 -7.4 45 126 A P S S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.552 131.2 24.8 -57.7 0.8 23.3 14.5 -5.1 46 127 A V S S+ 0 0 122 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.620 116.6 32.3-125.4 -63.4 25.4 12.9 -2.3 47 128 A K - 0 0 87 34,-0.0 -3,-1.8 -5,-0.0 2,-0.5 -0.782 59.6-136.6-109.8 147.3 29.2 12.9 -2.6 48 129 A b E -G 43 0D 21 -2,-0.3 34,-3.3 -5,-0.2 -5,-0.3 -0.841 28.5-164.6 -93.9 126.5 31.8 15.2 -4.1 49 130 A Y E -GH 42 81D 40 -7,-3.3 -7,-1.4 -2,-0.5 2,-0.4 -0.659 11.6-134.4-109.4 167.0 34.4 13.3 -6.1 50 131 A Q E -GH 41 80D 2 30,-2.1 30,-0.6 -9,-0.2 -9,-0.3 -0.992 22.4-173.2-128.6 126.6 37.8 14.5 -7.4 51 132 A F E +G 40 0D 1 -11,-3.6 -11,-1.4 -2,-0.4 2,-0.2 -0.545 13.9 148.4-109.7 178.2 39.1 13.8 -10.9 52 133 A A - 0 0 1 26,-0.5 26,-2.2 -13,-0.3 2,-0.4 -0.813 44.2 -99.0 164.5 162.5 42.3 14.2 -12.8 53 134 A L B -I 77 0E 0 -16,-2.0 24,-0.2 -2,-0.2 -16,-0.2 -0.851 36.8-154.2-105.7 133.4 44.2 12.6 -15.6 54 135 A G - 0 0 0 22,-2.4 -18,-0.2 -2,-0.4 4,-0.1 -0.064 21.1-123.3 -91.7-165.5 47.1 10.3 -14.7 55 136 A Q - 0 0 5 -20,-0.6 20,-0.2 2,-0.3 19,-0.1 -0.442 54.9 -99.1-138.9 53.1 50.3 9.3 -16.5 56 137 A G S S+ 0 0 0 18,-0.3 2,-0.2 1,-0.1 360,-0.2 0.600 98.8 55.8 35.8 29.0 49.8 5.5 -16.4 57 138 A T S S- 0 0 0 -22,-0.3 -22,-1.1 358,-0.1 -2,-0.3 -0.742 79.7-100.5-156.0-160.1 52.1 5.3 -13.4 58 139 A T B > -F 34 0C 0 -24,-0.3 3,-0.8 -2,-0.2 6,-0.6 -0.881 35.2-110.4-132.5 165.5 53.1 6.4 -9.9 59 140 A L T 3 S+ 0 0 0 -26,-2.1 -25,-0.1 -2,-0.3 -27,-0.1 0.858 112.8 54.7 -69.2 -45.4 55.6 8.9 -8.7 60 141 A D T 3 S+ 0 0 90 -27,-0.2 2,-0.5 -29,-0.2 -1,-0.2 0.152 89.4 107.0 -83.0 30.4 58.2 6.6 -7.1 61 142 A N S < S- 0 0 1 -3,-0.8 3,-0.4 1,-0.1 4,-0.3 -0.900 74.6-138.8-107.5 128.3 58.3 4.8 -10.4 62 143 A K S > S+ 0 0 110 -2,-0.5 3,-0.6 1,-0.2 -1,-0.1 0.673 101.8 68.7 -59.1 -17.6 61.3 5.2 -12.6 63 144 A H T 3 S+ 0 0 15 1,-0.2 -1,-0.2 352,-0.2 -4,-0.1 0.984 77.5 76.2 -62.5 -60.8 58.7 5.4 -15.5 64 145 A S T > + 0 0 2 -6,-0.6 3,-0.6 -3,-0.4 294,-0.4 0.473 64.2 122.2 -24.7 -32.8 57.2 8.8 -14.4 65 146 A N T < S+ 0 0 60 -3,-0.6 292,-0.2 -4,-0.3 323,-0.0 -0.248 73.7 25.2 -45.8 122.7 60.2 10.8 -15.8 66 147 A D T > + 0 0 79 290,-2.2 3,-1.1 -2,-0.0 -1,-0.2 0.777 69.2 148.9 85.6 37.5 59.0 13.3 -18.5 67 148 A T T < + 0 0 9 -3,-0.6 290,-0.1 289,-0.6 -2,-0.1 0.480 49.2 94.9 -78.9 3.8 55.5 13.6 -17.2 68 149 A V T 3 + 0 0 35 288,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.826 64.1 90.2 -60.5 -36.3 55.6 17.2 -18.5 69 150 A H S < S- 0 0 105 -3,-1.1 0, 0.0 1,-0.1 0, 0.0 -0.536 70.2-149.3 -69.4 132.1 54.0 16.0 -21.7 70 151 A D S S+ 0 0 61 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.726 71.8 48.1 -73.5 -32.0 50.2 16.2 -21.7 71 152 A R + 0 0 97 -16,-0.0 3,-0.1 43,-0.0 26,-0.1 -0.948 52.7 133.0-124.4 142.6 49.3 13.2 -24.0 72 153 A I - 0 0 44 -2,-0.4 3,-0.4 1,-0.1 24,-0.2 -0.896 60.8-102.8-170.1 152.8 50.4 9.6 -24.2 73 154 A P S S+ 0 0 43 0, 0.0 2,-2.2 0, 0.0 23,-0.3 0.909 111.6 64.2 -50.1 -51.4 48.4 6.4 -24.6 74 155 A H S S+ 0 0 12 -19,-0.1 2,-0.4 21,-0.1 -18,-0.3 -0.269 74.0 111.6 -74.1 52.4 48.8 5.4 -21.0 75 156 A R - 0 0 2 -2,-2.2 21,-2.5 -3,-0.4 2,-0.3 -0.997 43.6-176.8-126.3 131.8 46.8 8.2 -19.3 76 157 A T B -J 95 0F 0 -2,-0.4 -22,-2.4 19,-0.3 2,-0.8 -0.908 30.5-107.7-134.1 157.5 43.6 7.6 -17.6 77 158 A L B -I 53 0E 0 17,-2.0 16,-1.8 -2,-0.3 17,-0.3 -0.756 37.8-160.8 -86.0 108.7 40.7 9.4 -15.8 78 159 A L - 0 0 0 -26,-2.2 -26,-0.5 -2,-0.8 2,-0.3 -0.211 7.6-170.1 -83.8 170.4 40.7 8.7 -12.0 79 160 A M + 0 0 15 12,-0.4 12,-0.7 -28,-0.2 2,-0.3 -0.951 13.9 152.7-161.6 139.7 37.9 9.2 -9.5 80 161 A N E -H 50 0D 29 -30,-0.6 -30,-2.1 -2,-0.3 6,-0.1 -0.954 50.6 -81.3-160.5 165.4 37.7 9.1 -5.7 81 162 A E E > -H 49 0D 86 -2,-0.3 3,-1.5 -32,-0.2 2,-0.8 -0.396 65.7 -84.9 -70.3 158.1 35.5 10.6 -3.0 82 163 A L T 3 S+ 0 0 35 -34,-3.3 -1,-0.1 1,-0.2 -34,-0.1 -0.513 116.9 34.0 -69.9 107.3 36.5 14.2 -2.2 83 164 A G T 3 S+ 0 0 43 -2,-0.8 -1,-0.2 1,-0.5 -62,-0.1 0.136 85.9 102.1 139.7 -20.2 39.3 13.7 0.3 84 165 A V < - 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