==== 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) 10-AUG-92 2BAT . COMPND 2 MOLECULE: NEURAMINIDASE N2; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/TOKYO/3/1967(H2N2 . AUTHOR J.N.VARGHESE,P.M.COLMAN . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 57.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 4 6 3 0 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 4 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 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 0 152 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 145.3 78.4 79.0 33.6 2 83 A E - 0 0 163 103,-0.1 2,-0.2 0, 0.0 152,-0.1 -0.833 360.0 -87.7-136.2 164.9 80.6 82.1 32.9 3 84 A Y - 0 0 68 -2,-0.3 2,-0.3 102,-0.2 102,-0.3 -0.499 39.6-112.9 -80.8 144.6 82.8 84.3 34.9 4 85 A R + 0 0 32 100,-2.1 149,-1.8 -2,-0.2 150,-0.5 -0.579 35.4 173.4 -73.2 129.0 81.5 87.3 36.8 5 86 A N - 0 0 67 -2,-0.3 -1,-0.1 147,-0.3 147,-0.1 0.298 27.9-145.8-116.0 1.7 82.9 90.4 35.1 6 87 A W + 0 0 10 1,-0.2 2,-1.6 145,-0.1 197,-0.5 0.616 40.0 153.4 42.4 27.7 80.8 93.0 37.2 7 88 A S + 0 0 53 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.495 29.9 104.3 -89.8 79.9 80.4 95.5 34.4 8 89 A K S S- 0 0 64 -2,-1.6 195,-0.2 -3,-0.1 328,-0.2 -0.982 77.8 -91.4-147.4 147.1 77.2 97.3 35.3 9 90 A P - 0 0 91 0, 0.0 328,-2.7 0, 0.0 2,-0.2 -0.125 46.9-101.7 -55.5 156.2 76.7 100.8 36.8 10 91 A Q B -a 337 0A 45 326,-0.2 328,-0.2 1,-0.1 2,-0.1 -0.573 48.6-106.0 -74.4 146.0 76.6 101.0 40.6 11 92 A a - 0 0 19 326,-2.4 2,-0.3 -2,-0.2 328,-0.1 -0.536 30.7-113.6 -72.8 148.7 72.9 101.4 41.5 12 93 A Q - 0 0 124 -2,-0.1 2,-0.4 355,-0.1 -1,-0.1 -0.647 41.9-159.9 -76.8 134.4 71.9 104.9 42.6 13 94 A I - 0 0 10 -2,-0.3 356,-0.3 1,-0.1 3,-0.1 -0.952 32.0-165.5-128.5 154.1 70.9 104.6 46.2 14 95 A T S S- 0 0 55 354,-3.0 2,-0.3 1,-0.4 355,-0.2 0.376 72.4 -64.7-100.9 -18.0 68.8 106.7 48.5 15 96 A G E S-B 368 0A 0 353,-1.0 353,-2.2 356,-0.1 -1,-0.4 -0.950 71.7 -52.9 153.1-161.7 70.1 104.9 51.7 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.844 34.6-156.9-116.8 147.8 69.8 101.4 53.1 17 98 A A E -B 366 0A 28 349,-2.6 349,-2.2 -2,-0.3 355,-0.1 -0.857 39.1 -89.7-115.2 147.5 66.8 99.0 53.8 18 99 A P E +B 365 0A 80 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.264 48.3 166.3 -58.5 141.5 66.8 96.1 56.4 19 100 A F E - 0 0 100 345,-2.4 2,-0.3 1,-0.4 346,-0.2 0.724 50.8 -15.2-128.9 -44.1 68.0 92.8 54.9 20 101 A S E -B 364 0A 27 344,-2.5 344,-2.8 63,-0.0 -1,-0.4 -0.986 38.4-177.0-160.1 160.5 68.8 90.1 57.4 21 102 A K E -B 363 0A 54 -2,-0.3 342,-0.2 342,-0.3 358,-0.0 -0.928 8.7-165.3-154.8 135.0 69.5 89.4 61.1 22 103 A D - 0 0 8 340,-1.6 341,-0.1 -2,-0.3 -1,-0.0 0.563 19.1-147.3-107.2 -10.0 70.4 85.9 62.4 23 104 A N >> + 0 0 51 339,-0.7 4,-1.9 1,-0.1 3,-0.6 0.643 33.6 161.9 54.0 29.8 69.9 86.4 66.1 24 105 A S H 3> + 0 0 3 1,-0.2 4,-1.8 2,-0.2 337,-0.1 0.791 68.0 50.1 -51.9 -36.2 72.7 83.9 67.1 25 106 A I H 34 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.901 109.9 46.8 -77.6 -34.4 73.1 85.1 70.7 26 107 A R H X4 S+ 0 0 150 -3,-0.6 3,-1.7 353,-0.2 -2,-0.2 0.971 115.5 49.0 -67.1 -45.7 69.4 85.1 71.8 27 108 A L H >< S+ 0 0 78 -4,-1.9 3,-2.4 1,-0.3 -2,-0.2 0.839 98.2 68.4 -58.8 -37.5 69.2 81.7 70.3 28 109 A S G >< S+ 0 0 1 -4,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.640 88.5 65.9 -61.8 -12.6 72.4 80.4 72.1 29 110 A A G < S+ 0 0 44 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.353 119.6 21.0 -91.0 8.5 70.6 80.6 75.4 30 111 A G G < S+ 0 0 73 -3,-2.4 2,-0.2 1,-0.2 -1,-0.2 -0.071 125.4 36.2-164.3 52.4 68.3 77.8 74.2 31 112 A G S < S- 0 0 36 -3,-0.5 2,-0.8 2,-0.1 29,-0.3 -0.900 88.5 -88.0 172.3 168.0 70.0 75.9 71.4 32 113 A D + 0 0 91 -2,-0.2 56,-0.8 27,-0.1 2,-0.4 -0.897 54.4 170.1-107.6 104.7 73.6 74.8 70.4 33 114 A I B -E 87 0B 10 -2,-0.8 26,-2.4 54,-0.2 54,-0.2 -0.971 35.8-108.9-119.5 131.2 75.1 77.7 68.5 34 115 A W E -F 58 0C 19 52,-3.0 2,-0.4 -2,-0.4 24,-0.3 -0.077 27.4-123.9 -50.9 143.9 78.7 78.1 67.4 35 116 A V E + 0 0 0 22,-2.5 20,-2.3 324,-0.1 22,-0.3 -0.866 49.3 161.8 -90.2 132.7 80.8 80.8 69.2 36 117 A T E +F 54 0C 3 -2,-0.4 2,-0.3 18,-0.3 18,-0.2 -0.840 25.9 179.5-144.0 175.4 82.1 83.1 66.4 37 118 A R E +F 53 0C 24 16,-1.3 16,-2.0 -2,-0.2 323,-0.1 -0.950 63.0 49.0-162.1 177.2 83.6 86.6 65.5 38 119 A E E S- 0 0 7 -2,-0.3 15,-0.2 14,-0.2 -1,-0.1 0.934 74.0-178.6 48.2 56.3 84.8 88.4 62.4 39 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.274 9.5 166.2 -75.2 167.2 81.5 87.6 60.4 40 121 A Y E -F 51 0C 0 11,-2.2 11,-3.1 107,-0.1 2,-0.4 -0.964 26.1-134.2-167.9 165.2 80.9 88.6 56.8 41 122 A V E +F 50 0C 0 -2,-0.3 107,-0.4 9,-0.3 2,-0.3 -0.986 20.6 178.3-133.2 145.9 78.5 87.7 54.0 42 123 A S E -F 49 0C 0 7,-2.4 7,-3.0 -2,-0.4 2,-0.4 -0.952 16.4-140.8-139.4 163.9 79.4 87.0 50.4 43 124 A b E -F 48 0C 9 -2,-0.3 60,-0.3 5,-0.2 5,-0.3 -0.959 6.4-153.0-141.0 124.5 77.2 86.1 47.7 44 125 A D - 0 0 18 3,-2.0 62,-0.1 -2,-0.4 60,-0.0 -0.304 51.9 -85.8 -82.4-176.4 77.3 83.7 44.7 45 126 A P S S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.665 123.7 30.6 -69.4 -14.3 75.2 84.6 41.6 46 127 A V S S+ 0 0 124 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.758 125.6 10.7-109.8 -35.4 71.9 83.0 42.8 47 128 A K - 0 0 80 34,-0.0 -3,-2.0 2,-0.0 2,-0.4 -0.973 65.7-113.2-149.2 163.6 72.1 83.3 46.6 48 129 A b E -F 43 0C 18 -2,-0.3 34,-3.0 -5,-0.3 2,-0.3 -0.766 21.8-165.2 -99.3 138.5 73.8 84.8 49.6 49 130 A Y E -FG 42 81C 43 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.3 -0.897 12.1-141.9-122.4 144.8 75.8 83.1 52.3 50 131 A Q E -FG 41 80C 1 30,-2.1 30,-2.4 -2,-0.3 2,-0.3 -0.793 22.3-170.9-102.3 148.9 76.9 84.4 55.7 51 132 A F E +FG 40 79C 1 -11,-3.1 -11,-2.2 -2,-0.3 2,-0.3 -0.873 10.4 166.4-131.5 166.5 80.4 83.4 57.0 52 133 A A E - G 0 78C 0 26,-1.3 26,-3.2 -2,-0.3 2,-0.6 -0.951 40.2-107.3-173.4 159.0 82.3 83.7 60.3 53 134 A L E -FG 37 77C 0 -16,-2.0 -16,-1.3 -2,-0.3 24,-0.2 -0.867 41.2-150.5 -93.8 117.8 85.4 82.4 62.1 54 135 A G E -F 36 0C 0 22,-2.9 22,-0.3 -2,-0.6 -18,-0.3 -0.401 16.7-132.7 -85.5 165.8 84.2 80.0 64.8 55 136 A Q E - 0 0 10 -20,-2.3 20,-0.2 2,-0.4 -19,-0.1 0.018 50.6-104.4-101.9 29.9 86.0 79.4 68.0 56 137 A G E S+ 0 0 37 -21,-0.2 2,-0.3 1,-0.2 19,-0.1 0.800 94.9 73.4 55.3 34.5 85.7 75.5 67.7 57 138 A T E S- 0 0 7 -22,-0.3 -22,-2.5 7,-0.1 -2,-0.4 -0.963 77.2-116.7-163.4 166.7 82.9 75.4 70.3 58 139 A T E -F 34 0C 15 -24,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.690 36.7-110.2-105.4 168.6 79.2 76.3 70.9 59 140 A L S S+ 0 0 2 -26,-2.4 2,-1.9 -2,-0.2 5,-0.2 0.931 111.7 54.5 -72.7 -44.0 78.3 78.9 73.5 60 141 A D S S+ 0 0 98 -29,-0.3 -1,-0.2 -27,-0.2 2,-0.2 -0.673 92.7 95.6 -92.0 80.5 76.6 76.7 76.2 61 142 A N S > S- 0 0 55 -2,-1.9 3,-2.1 -3,-0.2 4,-0.2 -0.829 83.1-122.8-161.0 130.1 79.7 74.5 76.3 62 143 A K G > S+ 0 0 195 1,-0.3 3,-1.4 -2,-0.2 -3,-0.0 0.782 106.4 71.6 -58.1 -16.6 82.6 74.9 78.9 63 144 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -5,-0.1 -3,-0.1 0.445 78.3 76.5 -76.7 -0.8 85.1 75.4 76.1 64 145 A S G X + 0 0 3 -3,-2.1 3,-1.1 -5,-0.2 294,-0.3 0.618 67.1 115.7 -83.1 -11.1 83.7 78.9 75.3 65 146 A N T < S+ 0 0 88 -3,-1.4 292,-0.2 1,-0.3 293,-0.0 -0.363 84.9 7.5 -59.3 130.3 85.5 80.3 78.4 66 147 A D T > S+ 0 0 84 290,-2.2 3,-0.9 1,-0.1 -1,-0.3 0.801 74.5 148.6 64.4 41.0 88.1 82.8 77.2 67 148 A T T < + 0 0 11 -3,-1.1 -1,-0.1 289,-0.5 290,-0.1 0.278 43.2 102.3 -85.3 10.9 87.2 83.0 73.6 68 149 A V T 3 + 0 0 36 288,-0.3 -1,-0.2 2,-0.0 289,-0.1 0.819 58.6 101.1 -60.2 -31.6 88.3 86.7 73.5 69 150 A H < - 0 0 95 -3,-0.9 3,-0.1 1,-0.1 289,-0.1 -0.259 66.1-149.9 -65.9 135.2 91.5 85.5 71.8 70 151 A D S S+ 0 0 76 1,-0.2 2,-0.4 5,-0.0 -1,-0.1 0.746 75.8 43.4 -77.9 -24.0 91.7 85.9 68.2 71 152 A R + 0 0 91 3,-0.0 -1,-0.2 -16,-0.0 26,-0.1 -0.954 55.4 138.8-133.0 118.4 93.9 83.0 67.2 72 153 A I > - 0 0 57 -2,-0.4 3,-1.3 -3,-0.1 24,-0.1 -0.936 59.0-109.2-140.3 159.9 93.8 79.4 68.4 73 154 A P T 3 S+ 0 0 89 0, 0.0 23,-0.1 0, 0.0 -17,-0.1 0.687 111.4 66.5 -68.0 -13.5 94.2 76.2 66.1 74 155 A H T 3 S+ 0 0 117 -19,-0.1 2,-0.3 21,-0.1 -18,-0.2 0.467 70.0 110.5 -87.7 -0.3 90.5 75.4 66.4 75 156 A R < + 0 0 1 -3,-1.3 21,-2.0 -20,-0.2 2,-0.3 -0.606 43.8 175.5 -79.0 135.3 89.1 78.3 64.6 76 157 A T E - H 0 95C 16 -22,-0.3 -22,-2.9 -2,-0.3 2,-0.6 -0.925 36.9-102.6-135.2 159.5 87.5 77.3 61.3 77 158 A L E -GH 53 94C 0 17,-1.8 16,-1.7 -2,-0.3 17,-0.6 -0.765 36.2-156.2 -86.5 124.3 85.5 79.2 58.7 78 159 A L E -GH 52 92C 0 -26,-3.2 -26,-1.3 -2,-0.6 2,-0.4 -0.772 9.5-169.2 -95.9 145.9 81.8 78.5 59.0 79 160 A M E +GH 51 91C 25 12,-1.4 12,-0.8 -2,-0.3 2,-0.3 -0.992 15.0 151.0-142.4 130.4 79.5 79.0 56.0 80 161 A N E -G 50 0C 20 -30,-2.4 -30,-2.1 -2,-0.4 3,-0.1 -0.949 52.7 -80.1-147.0 164.6 75.7 79.0 55.7 81 162 A E E > -G 49 0C 87 -2,-0.3 3,-2.1 -32,-0.3 -32,-0.3 -0.425 68.8 -87.8 -65.2 145.4 72.8 80.5 53.6 82 163 A L T 3 S+ 0 0 32 -34,-3.0 -1,-0.1 1,-0.3 -34,-0.1 -0.455 115.9 24.7 -58.6 122.5 72.3 84.0 54.8 83 164 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.3 -2,-0.2 -34,-0.1 -0.059 90.5 104.1 110.0 -30.1 69.8 83.8 57.6 84 165 A V S < S- 0 0 54 -3,-2.1 -1,-0.3 -34,-0.0 -34,-0.2 -0.766 71.1-132.6 -87.8 125.8 70.3 80.2 58.9 85 166 A P - 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0 0 0 -21,-2.0 18,-0.2 -2,-0.4 3,-0.1 -0.951 47.3-178.3-171.0 136.5 91.4 79.7 59.7 97 178 A W S S+ 0 0 13 16,-3.2 2,-0.3 1,-0.4 17,-0.1 0.132 97.7 30.9-116.1 11.0 91.8 82.5 62.2 98 179 A S S S+ 0 0 3 15,-0.5 15,-2.4 -23,-0.1 -1,-0.4 -0.848 80.2 164.1-161.7 133.1 91.7 85.0 59.3 99 180 A S E -I 112 0D 0 -2,-0.3 47,-2.3 13,-0.2 48,-0.5 -0.892 27.0-168.8-147.3 179.2 89.7 84.6 55.9 100 181 A S E -I 111 0D 0 11,-1.1 11,-2.7 -2,-0.3 2,-0.3 -0.811 14.7-176.2-171.5 124.9 88.3 86.0 52.7 101 182 A S E +I 110 0D 0 -2,-0.3 48,-1.4 46,-0.2 2,-0.3 -0.940 7.5 165.3-126.1 153.1 85.9 84.1 50.4 102 183 A d E -I 109 0D 2 7,-1.7 7,-2.6 -2,-0.3 2,-0.5 -0.959 29.6-128.8-157.8 161.8 84.5 85.2 47.0 103 184 A H E -I 108 0D 18 -60,-0.3 48,-0.3 -2,-0.3 5,-0.2 -0.977 9.1-159.9-120.8 128.9 82.7 83.5 44.1 104 185 A D - 0 0 1 3,-1.7 -100,-2.1 -2,-0.5 2,-0.3 0.265 55.7 -90.2 -92.3 17.5 84.0 84.1 40.6 105 186 A G S S+ 0 0 6 -102,-0.3 -102,-0.2 2,-0.2 -103,-0.1 -0.431 124.8 47.5 104.5 -52.7 81.0 83.1 38.7 106 187 A K S S- 0 0 96 -2,-0.3 2,-0.3 1,-0.2 -103,-0.1 0.750 120.2 -11.8 -96.5 -22.8 82.0 79.5 38.4 107 188 A A S S- 0 0 7 21,-0.0 -3,-1.7 20,-0.0 2,-0.3 -0.971 71.6 -86.8-168.3 165.5 83.1 78.4 42.1 108 189 A W E -I 103 0D 33 -2,-0.3 19,-2.3 -5,-0.2 2,-0.4 -0.700 28.5-157.1 -83.9 151.1 84.0 79.6 45.5 109 190 A L E -IJ 102 126D 2 -7,-2.6 -7,-1.7 -2,-0.3 2,-0.4 -0.942 11.7-176.8-119.8 129.2 87.5 80.8 46.5 110 191 A H E -IJ 101 125D 12 15,-2.2 15,-2.4 -2,-0.4 2,-0.6 -0.999 10.9-164.2-129.3 129.3 88.4 80.7 50.2 111 192 A V E -IJ 100 124D 0 -11,-2.7 -11,-1.1 -2,-0.4 2,-0.4 -0.988 18.2-174.7-111.3 128.8 91.7 82.0 51.5 112 193 A c E -IJ 99 123D 1 11,-1.9 11,-2.7 -2,-0.6 2,-0.5 -0.973 11.0-157.5-126.1 136.9 92.2 80.6 55.0 113 194 A I E + J 0 122D 0 -15,-2.4 -16,-3.2 -2,-0.4 -15,-0.5 -0.953 24.6 146.9-120.8 123.1 95.0 81.5 57.4 114 195 A T E + J 0 121D 26 7,-2.2 7,-2.6 -2,-0.5 2,-0.2 -0.905 26.4 75.8-139.1 170.7 96.1 79.3 60.3 115 196 A G S S- 0 0 35 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.667 80.3 -20.9 123.6-178.1 99.3 78.6 62.0 116 197 A D > - 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