==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-SEP-12 4H52 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.J.VAVRICKA,Y.LIU,H.KIYOTA,N.SRIWILAIJAROEN,J.QI,K.TANAKA,Y . 776 2 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 59.3 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 . 273 35.2 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 . 20 2.6 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 . 62 8.0 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 . 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 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 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 . 3 0 2 6 6 12 4 3 3 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 0 153 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 150.3 15.0 -8.4 -8.8 2 83 A E - 0 0 159 103,-0.2 2,-0.1 1,-0.1 152,-0.1 -0.754 360.0 -94.5-115.7 153.7 14.1 -10.6 -11.8 3 84 A Y - 0 0 52 -2,-0.3 102,-0.3 1,-0.1 2,-0.2 -0.411 43.8-111.9 -62.8 140.8 16.1 -13.3 -13.8 4 85 A R + 0 0 18 100,-2.7 149,-2.6 1,-0.1 150,-0.5 -0.525 34.5 174.7 -68.1 139.9 17.8 -12.1 -17.0 5 86 A N - 0 0 55 147,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.537 29.3-143.9-117.6 -16.6 16.3 -13.4 -20.2 6 87 A W + 0 0 10 1,-0.2 2,-1.5 197,-0.1 197,-0.5 0.810 41.6 158.4 56.3 32.6 18.5 -11.4 -22.7 7 88 A S + 0 0 73 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.395 31.8 99.0 -92.6 59.0 15.3 -11.2 -24.9 8 89 A K S S- 0 0 68 -2,-1.5 195,-0.2 -3,-0.1 328,-0.2 -0.943 80.7 -95.2-132.4 155.4 16.3 -8.2 -26.9 9 90 A P - 0 0 94 0, 0.0 328,-2.4 0, 0.0 2,-0.2 -0.310 49.5 -93.9 -64.7 156.1 17.7 -8.1 -30.4 10 91 A Q B -a 337 0A 31 326,-0.2 328,-0.2 1,-0.1 192,-0.0 -0.516 47.1-102.9 -68.9 136.6 21.5 -7.8 -30.8 11 92 A a - 0 0 21 326,-2.8 2,-0.9 -2,-0.2 -1,-0.1 -0.327 29.7-123.7 -57.9 141.5 22.7 -4.3 -31.2 12 93 A Q - 0 0 119 -3,-0.1 2,-0.2 355,-0.1 -1,-0.1 -0.794 39.8-166.2 -92.5 104.7 23.6 -3.4 -34.8 13 94 A I - 0 0 14 -2,-0.9 356,-0.3 1,-0.1 3,-0.1 -0.490 34.6-162.5-101.7 160.3 27.2 -2.2 -34.6 14 95 A T S S- 0 0 51 354,-3.0 2,-0.3 1,-0.4 355,-0.2 0.353 75.0 -60.4-111.7 -1.6 29.7 -0.4 -36.8 15 96 A G E S-B 368 0A 0 353,-0.7 353,-2.3 281,-0.1 -1,-0.4 -0.974 72.1 -58.0 147.6-156.7 32.7 -1.4 -34.9 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.3 324,-0.1 -0.913 31.7-152.6-129.4 150.0 34.0 -1.0 -31.3 17 98 A A E -B 366 0A 0 349,-3.1 349,-2.6 -2,-0.3 502,-0.1 -0.903 37.6 -90.5-119.5 150.7 34.8 1.9 -29.0 18 99 A P E +B 365 0A 3 0, 0.0 347,-0.2 0, 0.0 483,-0.1 -0.318 47.3 164.6 -59.6 139.1 37.2 2.0 -26.1 19 100 A F E - 0 0 10 345,-2.7 2,-0.3 1,-0.4 346,-0.2 0.689 53.4 -7.9-125.1 -45.8 35.7 1.0 -22.7 20 101 A S E -B 364 0A 2 344,-2.1 344,-3.0 463,-0.2 -1,-0.4 -0.998 41.5-176.7-160.4 153.7 38.3 0.2 -20.1 21 102 A K E -B 363 0A 1 -2,-0.3 342,-0.2 342,-0.2 462,-0.1 -0.965 7.7-165.9-152.3 137.4 42.0 -0.3 -19.4 22 103 A D - 0 0 2 340,-1.7 341,-0.1 -2,-0.3 5,-0.1 0.668 16.9-150.1-106.9 -15.0 43.6 -1.3 -16.1 23 104 A N > + 0 0 0 339,-0.5 4,-2.2 1,-0.1 5,-0.2 0.786 34.3 161.7 58.7 31.7 47.4 -0.6 -16.6 24 105 A S H > + 0 0 2 1,-0.2 4,-1.6 2,-0.2 337,-0.1 0.824 65.8 44.9 -57.0 -43.2 48.2 -3.4 -14.2 25 106 A I H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.899 111.3 52.1 -75.6 -40.9 51.8 -4.0 -15.1 26 107 A R H >4 S+ 0 0 2 353,-0.3 3,-1.0 1,-0.2 421,-0.3 0.927 113.6 46.0 -54.7 -44.6 52.8 -0.3 -15.2 27 108 A L H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.833 99.7 68.3 -69.8 -31.3 51.3 0.0 -11.7 28 109 A S H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.679 90.9 63.8 -61.8 -20.3 53.1 -3.1 -10.5 29 110 A A T << S+ 0 0 20 -3,-1.0 422,-0.4 -4,-0.6 -1,-0.3 0.476 117.5 25.1 -82.4 -4.6 56.4 -1.3 -10.8 30 111 A G T < S+ 0 0 7 -3,-2.3 -1,-0.2 1,-0.2 2,-0.2 -0.256 125.0 25.1-155.5 56.1 55.2 1.2 -8.1 31 112 A G S < S- 0 0 7 -3,-0.6 2,-0.8 2,-0.1 29,-0.3 -0.817 90.2 -77.6 158.9 163.3 52.7 -0.5 -5.9 32 113 A D + 0 0 75 -2,-0.2 56,-0.5 27,-0.1 2,-0.4 -0.769 57.0 164.4 -93.3 109.6 51.5 -3.9 -4.7 33 114 A I - 0 0 1 -2,-0.8 26,-2.2 -5,-0.2 27,-0.2 -0.973 37.5-104.4-131.0 136.3 49.5 -5.5 -7.5 34 115 A W E -E 58 0B 21 52,-3.0 2,-0.5 -2,-0.4 24,-0.3 -0.232 25.7-123.5 -57.2 141.7 48.5 -9.2 -8.0 35 116 A V E + 0 0 0 22,-2.7 20,-1.7 324,-0.1 22,-0.4 -0.777 49.5 163.6 -79.1 129.7 50.2 -11.5 -10.5 36 117 A T E +E 54 0B 1 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.878 26.2 177.9-139.2 169.4 47.5 -12.7 -12.8 37 118 A R E +E 53 0B 36 16,-1.2 16,-2.4 -2,-0.3 323,-0.1 -0.924 62.5 46.1-159.2 176.6 46.5 -14.4 -16.1 38 119 A E E S- 0 0 19 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.922 73.1-180.0 52.3 55.7 43.3 -15.6 -17.8 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.333 7.1 170.3 -77.8 164.6 41.3 -12.4 -17.1 40 121 A Y E -E 51 0B 1 11,-2.3 11,-3.3 107,-0.1 2,-0.4 -0.968 24.0-126.7-159.6 176.8 37.8 -11.7 -18.2 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.978 24.2 166.0-129.6 142.9 34.9 -9.3 -17.7 42 123 A S E -E 49 0B 0 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.981 19.1-145.7-152.0 149.4 31.3 -9.9 -16.8 43 124 A b E -E 48 0B 4 287,-0.3 60,-0.3 -2,-0.3 5,-0.3 -0.933 6.2-144.3-123.5 140.1 28.6 -7.5 -15.7 44 125 A D - 0 0 27 3,-2.4 62,-0.0 -2,-0.4 64,-0.0 -0.343 55.6 -83.3 -79.6 176.1 25.6 -7.6 -13.3 45 126 A P S S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.745 129.5 34.4 -59.2 -19.7 22.5 -5.7 -14.4 46 127 A G S S+ 0 0 34 1,-0.3 2,-0.3 471,-0.0 -3,-0.0 0.842 123.3 2.2 -99.3 -44.7 24.1 -2.4 -13.1 47 128 A K - 0 0 72 471,-0.0 -3,-2.4 -5,-0.0 -1,-0.3 -0.953 63.6-106.4-149.9 167.2 27.8 -2.6 -13.6 48 129 A b E -E 43 0B 9 -2,-0.3 34,-2.5 -5,-0.3 2,-0.3 -0.638 23.2-161.3-100.2 151.8 30.8 -4.5 -14.9 49 130 A Y E -EF 42 81B 35 -7,-2.7 -7,-2.0 32,-0.3 2,-0.4 -0.943 12.7-136.7-128.1 146.7 33.5 -6.4 -13.1 50 131 A Q E -EF 41 80B 0 30,-2.4 30,-2.4 -2,-0.3 2,-0.3 -0.876 23.5-172.2-102.4 138.6 37.0 -7.6 -14.0 51 132 A F E +EF 40 79B 1 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.3 -0.879 10.3 161.1-121.9 155.0 38.1 -11.1 -13.1 52 133 A A E - F 0 78B 0 26,-1.3 26,-3.3 -2,-0.3 2,-0.7 -0.959 41.9-104.1-162.9 163.9 41.4 -12.9 -13.3 53 134 A L E -EF 37 77B 0 -16,-2.4 -16,-1.2 -2,-0.3 24,-0.2 -0.832 39.0-147.4 -92.3 115.2 43.2 -15.9 -11.9 54 135 A G E -E 36 0B 0 22,-3.1 22,-0.3 -2,-0.7 -18,-0.2 -0.254 12.2-139.0 -72.8 167.0 45.8 -14.8 -9.3 55 136 A Q E - 0 0 7 -20,-1.7 20,-0.2 2,-0.5 -19,-0.1 0.072 50.7-102.3-111.8 21.7 49.0 -16.6 -8.8 56 137 A G E S+ 0 0 37 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.762 95.3 70.5 69.1 25.9 48.8 -16.2 -5.0 57 138 A T E S- 0 0 9 -22,-0.4 -22,-2.7 7,-0.1 -2,-0.5 -0.985 78.1-112.1-163.0 158.9 51.3 -13.4 -5.0 58 139 A T E -E 34 0B 14 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.487 36.4-114.9 -88.0 171.7 52.0 -9.8 -5.9 59 140 A L S S+ 0 0 1 -26,-2.2 2,-1.9 1,-0.2 5,-0.2 0.931 109.6 57.0 -78.2 -47.9 54.4 -8.9 -8.7 60 141 A D S S+ 0 0 90 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.609 93.7 94.3 -82.8 80.4 57.1 -7.1 -6.7 61 142 A N S > S- 0 0 58 -2,-1.9 3,-2.2 -3,-0.2 4,-0.1 -0.903 84.1-121.5-173.0 131.6 57.5 -10.2 -4.4 62 143 A K G > S+ 0 0 198 1,-0.3 3,-1.4 -2,-0.3 4,-0.1 0.763 108.8 70.6 -62.3 -21.2 59.9 -13.0 -4.7 63 144 A H G > S+ 0 0 114 1,-0.3 3,-1.7 2,-0.1 -1,-0.3 0.586 74.3 87.0 -70.9 -7.2 57.0 -15.4 -4.9 64 145 A S G X S+ 0 0 2 -3,-2.2 3,-1.1 1,-0.3 294,-0.4 0.676 71.2 72.3 -68.0 -13.9 56.3 -14.1 -8.4 65 146 A N G X S+ 0 0 78 -3,-1.4 3,-1.2 1,-0.2 -1,-0.3 0.589 75.1 89.0 -74.4 -3.7 58.8 -16.6 -9.9 66 147 A D G X + 0 0 41 -3,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.589 60.9 84.3 -66.6 -13.7 56.1 -19.2 -9.1 67 148 A T G < + 0 0 21 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.511 69.8 80.0 -77.0 5.0 54.4 -18.7 -12.5 68 149 A V G < S+ 0 0 112 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.730 86.7 70.0 -78.5 -19.1 56.9 -21.2 -13.9 69 150 A H S < S- 0 0 103 -3,-1.7 3,-0.3 -4,-0.1 2,-0.3 -0.701 85.1-125.3 -94.8 151.6 54.6 -23.9 -12.5 70 151 A D S S- 0 0 118 -2,-0.3 -2,-0.1 1,-0.2 27,-0.0 -0.687 75.9 -5.1 -95.8 145.7 51.2 -24.7 -13.9 71 152 A R S S- 0 0 67 -2,-0.3 -1,-0.2 26,-0.2 44,-0.2 0.821 77.1-170.3 48.9 50.6 47.9 -24.8 -12.0 72 153 A I > - 0 0 15 -3,-0.3 3,-1.7 1,-0.1 -1,-0.1 -0.347 32.9-117.7 -72.9 153.1 49.3 -24.2 -8.5 73 154 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.610 109.7 68.1 -67.4 -7.0 46.9 -24.6 -5.5 74 155 A H T 3 S+ 0 0 113 -19,-0.1 -18,-0.2 21,-0.1 2,-0.2 0.536 70.5 112.1 -91.9 -6.1 47.4 -21.0 -4.7 75 156 A R < + 0 0 13 -3,-1.7 21,-1.8 -20,-0.2 2,-0.3 -0.478 45.0 177.0 -67.2 132.9 45.6 -19.7 -7.7 76 157 A T E - G 0 95B 15 19,-0.3 -22,-3.1 -22,-0.3 2,-0.5 -0.966 34.8-104.9-136.0 153.4 42.4 -17.9 -6.8 77 158 A L E -FG 53 94B 0 17,-2.1 16,-3.1 -2,-0.3 17,-0.6 -0.700 35.7-156.2 -81.8 122.2 39.7 -16.1 -8.7 78 159 A L E -FG 52 92B 0 -26,-3.3 -26,-1.3 -2,-0.5 2,-0.4 -0.751 9.4-171.7 -97.9 146.7 40.0 -12.3 -8.2 79 160 A M E +FG 51 91B 13 12,-1.5 12,-0.7 -2,-0.3 2,-0.3 -0.944 14.3 153.3-144.7 117.9 37.0 -10.0 -8.7 80 161 A N E -F 50 0B 16 -30,-2.4 -30,-2.4 -2,-0.4 3,-0.1 -0.899 53.4 -83.2-129.5 163.5 37.0 -6.2 -8.8 81 162 A E E > -F 49 0B 71 -2,-0.3 3,-2.3 -32,-0.3 -32,-0.3 -0.419 68.4 -84.5 -58.9 146.0 34.8 -3.5 -10.4 82 163 A L T 3 S+ 0 0 14 -34,-2.5 -1,-0.1 1,-0.3 -34,-0.1 -0.328 118.5 23.5 -58.6 128.5 36.0 -3.0 -13.9 83 164 A G T 3 S+ 0 0 0 1,-0.3 398,-1.8 397,-0.1 -1,-0.3 0.278 90.6 113.4 97.6 -13.4 38.9 -0.6 -14.0 84 165 A V < - 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