==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-SEP-12 4GZW . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.ZHU,I.A.WILSON . 1552 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 905 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 536 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 33 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 . 127 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 5 11 10 29 8 4 5 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 16 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 A 0 0 120 0, 0.0 2,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 126.1 43.2 66.7 30.8 2 83 A E - 0 0 169 103,-0.2 2,-0.3 1,-0.0 151,-0.0 -0.623 360.0 -96.6-103.7 163.9 44.2 70.3 31.1 3 84 A Y - 0 0 46 -2,-0.2 102,-0.2 150,-0.1 2,-0.2 -0.662 38.4-120.6 -77.9 139.5 42.2 73.4 32.0 4 85 A R + 0 0 23 100,-1.9 149,-1.5 -2,-0.3 150,-0.6 -0.564 33.3 171.4 -70.3 138.1 40.8 75.5 29.1 5 86 A N - 0 0 49 147,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.337 38.9-133.0-124.1 4.4 42.0 79.1 29.0 6 87 A W + 0 0 9 1,-0.2 2,-1.7 197,-0.1 197,-0.5 0.826 43.2 166.1 52.6 36.2 40.6 80.0 25.6 7 88 A S + 0 0 68 195,-0.1 -1,-0.2 329,-0.1 195,-0.0 -0.277 37.3 93.4 -87.0 52.7 44.0 81.6 24.9 8 89 A K S S- 0 0 68 -2,-1.7 195,-0.3 -3,-0.1 328,-0.2 -0.965 79.4 -97.7-137.8 152.4 43.6 82.0 21.1 9 90 A P - 0 0 94 0, 0.0 328,-2.4 0, 0.0 2,-0.2 -0.215 46.9 -91.7 -66.1 161.1 42.3 84.9 19.0 10 91 A Q B -a 337 0A 48 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.526 46.8-109.6 -72.7 137.4 38.7 85.1 17.7 11 92 A a - 0 0 19 326,-2.2 2,-0.1 -2,-0.2 -1,-0.1 -0.289 35.7 -96.4 -62.5 151.0 38.1 83.6 14.3 12 93 A D - 0 0 128 355,-0.1 2,-0.4 326,-0.0 -1,-0.1 -0.494 46.3-160.2 -60.4 138.4 37.4 85.8 11.3 13 94 A I + 0 0 13 -2,-0.1 356,-0.2 356,-0.1 3,-0.1 -0.997 31.1 166.7-130.8 130.9 33.6 85.8 10.9 14 95 A T S S- 0 0 54 354,-2.4 2,-0.3 1,-0.5 355,-0.1 0.392 73.0 -59.9-115.9 -5.5 31.7 86.8 7.7 15 96 A G E -B 368 0A 0 353,-0.7 353,-1.9 281,-0.1 -1,-0.5 -0.971 68.3 -60.9 153.3-159.1 28.4 85.4 9.0 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.939 29.6-154.6-130.6 144.0 26.9 82.2 10.2 17 98 A A E -B 366 0A 0 349,-2.7 349,-2.4 -2,-0.4 1280,-0.1 -0.825 38.2 -90.2-112.6 150.0 26.3 78.7 8.7 18 99 A P E +B 365 0A 2 0, 0.0 347,-0.2 0, 0.0 1261,-0.1 -0.327 48.0 163.4 -61.4 142.9 23.6 76.2 9.8 19 100 A F E - 0 0 13 345,-2.4 2,-0.3 1,-0.3 346,-0.2 0.660 52.8 -5.4-131.2 -45.0 24.7 73.8 12.5 20 101 A S E -B 364 0A 4 344,-1.8 344,-2.1 1241,-0.2 2,-0.3 -0.981 41.2-178.0-163.8 147.5 21.8 72.0 14.2 21 102 A K E -B 363 0A 0 -2,-0.3 342,-0.2 342,-0.2 1240,-0.1 -0.986 7.8-166.5-147.2 134.3 18.0 71.7 14.5 22 103 A D - 0 0 3 340,-1.7 5,-0.1 -2,-0.3 341,-0.1 0.605 16.6-150.7-107.1 -9.2 16.1 69.4 16.8 23 104 A N > + 0 0 0 339,-0.5 4,-2.0 1,-0.1 5,-0.2 0.798 33.8 162.1 52.4 35.0 12.5 69.5 15.5 24 105 A S H > + 0 0 2 1,-0.2 4,-1.4 2,-0.2 337,-0.1 0.875 65.3 46.0 -60.6 -44.8 11.2 68.9 19.0 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.875 112.5 50.9 -68.3 -38.1 7.5 70.0 18.6 26 107 A R H >4 S+ 0 0 18 353,-0.3 3,-0.8 1,-0.2 1199,-0.3 0.875 112.2 46.9 -66.1 -38.9 7.0 68.1 15.3 27 108 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.781 100.5 67.8 -73.1 -27.4 8.4 64.9 16.8 28 109 A S G >< S+ 0 0 0 -4,-1.4 3,-0.5 1,-0.3 32,-0.2 0.586 86.7 68.1 -73.4 -9.2 6.2 65.3 19.9 29 110 A A G < S+ 0 0 23 -3,-0.8 1200,-0.3 -4,-0.4 -1,-0.3 0.544 116.3 25.6 -80.7 -8.3 3.0 64.7 17.8 30 111 A G G < S+ 0 0 8 -3,-1.6 2,-0.3 1198,-0.1 -1,-0.2 -0.152 126.8 26.8-147.3 45.5 4.2 61.1 17.3 31 112 A G S < S- 0 0 8 -3,-0.5 2,-0.9 2,-0.1 29,-0.4 -0.949 89.3 -76.6 171.7 169.8 6.4 60.4 20.3 32 113 A D + 0 0 40 -2,-0.3 56,-0.4 27,-0.1 2,-0.4 -0.796 55.1 162.5 -97.8 100.8 7.2 61.2 23.9 33 114 A I - 0 0 1 -2,-0.9 26,-2.6 -5,-0.2 54,-0.2 -0.958 37.9-110.1-120.4 136.4 9.1 64.5 24.0 34 115 A W E -E 58 0B 1 52,-2.5 2,-0.5 -2,-0.4 24,-0.3 -0.306 24.8-120.5 -60.3 139.9 9.6 66.7 27.1 35 116 A V E + 0 0 0 22,-2.4 20,-1.3 324,-0.1 22,-0.3 -0.753 49.7 167.6 -74.4 128.7 7.9 70.1 27.3 36 117 A T E +E 54 0B 2 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.823 23.3 177.4-133.4 169.8 10.7 72.6 27.7 37 118 A R E +E 53 0B 44 16,-1.1 16,-2.4 -2,-0.3 323,-0.1 -0.925 61.6 42.7-157.8 177.4 11.6 76.2 27.6 38 119 A E E S- 0 0 23 -2,-0.3 -1,-0.1 14,-0.2 16,-0.1 0.915 74.1-179.0 51.1 53.6 14.8 78.4 28.1 39 120 A P E + 0 0 3 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.343 7.4 172.4 -78.4 163.6 17.1 76.1 26.1 40 121 A Y E -E 51 0B 1 11,-2.6 11,-3.4 107,-0.1 2,-0.4 -0.956 22.2-127.4-157.8 176.1 20.8 76.7 25.5 41 122 A V E +E 50 0B 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.971 25.5 160.8-132.1 141.2 23.9 75.1 24.2 42 123 A S E -E 49 0B 0 7,-2.0 7,-3.1 -2,-0.4 2,-0.3 -0.960 19.3-148.2-155.9 155.9 27.4 74.4 25.6 43 124 A b E -E 48 0B 4 -2,-0.3 60,-0.4 287,-0.3 5,-0.3 -0.925 8.5-138.1-132.9 148.3 30.2 72.1 24.6 44 125 A D - 0 0 19 3,-2.6 62,-0.0 -2,-0.3 64,-0.0 -0.397 55.4 -80.9 -88.3 175.6 33.1 70.1 26.2 45 126 A P S S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.711 130.9 33.1 -54.1 -21.4 36.5 70.0 24.5 46 127 A D S S- 0 0 98 1,-0.3 2,-0.3 1249,-0.0 -3,-0.0 0.799 124.4 -1.5 -99.9 -35.5 35.2 67.2 22.1 47 128 A K - 0 0 63 1249,-0.0 -3,-2.6 -5,-0.0 -1,-0.3 -0.993 63.6 -99.7-163.5 159.6 31.5 68.0 21.5 48 129 A b E -E 43 0B 8 1247,-0.3 34,-2.7 -2,-0.3 2,-0.3 -0.500 23.8-162.2 -92.8 150.1 28.3 70.1 22.1 49 130 A Y E -EF 42 81B 35 -7,-3.1 -7,-2.0 32,-0.3 2,-0.4 -0.933 12.0-138.8-125.3 151.0 25.3 69.5 24.3 50 131 A Q E -EF 41 80B 1 30,-2.4 30,-2.0 -2,-0.3 2,-0.3 -0.919 21.0-172.6-108.1 137.1 21.8 71.1 24.4 51 132 A F E +EF 40 79B 0 -11,-3.4 -11,-2.6 -2,-0.4 2,-0.3 -0.901 9.2 163.7-120.2 155.8 20.2 72.0 27.7 52 133 A A E - F 0 78B 0 26,-1.0 26,-3.6 -2,-0.3 2,-0.8 -0.963 41.7-103.6-160.4 164.1 16.7 73.2 28.5 53 134 A L E -EF 37 77B 0 -16,-2.4 -16,-1.1 -2,-0.3 24,-0.2 -0.832 40.4-152.7 -94.6 111.6 14.4 73.6 31.5 54 135 A G E -E 36 0B 0 22,-3.0 -18,-0.2 -2,-0.8 22,-0.2 -0.163 14.6-136.9 -73.4 172.9 11.9 70.8 31.4 55 136 A Q E - 0 0 9 -20,-1.3 20,-0.2 2,-0.5 19,-0.1 0.123 47.1-104.0-118.9 17.4 8.4 71.0 32.9 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 1,-0.2 19,-0.1 0.829 95.9 79.4 63.1 31.8 8.3 67.5 34.5 57 138 A T E S- 0 0 0 -22,-0.3 -22,-2.4 359,-0.1 -2,-0.5 -0.987 74.0-122.7-161.6 153.3 6.1 66.4 31.7 58 139 A T E -E 34 0B 0 357,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.550 35.7-111.2 -90.4 168.7 6.0 65.2 28.1 59 140 A L S S+ 0 0 3 -26,-2.6 2,-1.8 1,-0.2 5,-0.2 0.965 111.1 54.6 -69.0 -54.7 3.8 67.0 25.4 60 141 A N S S+ 0 0 88 -29,-0.4 2,-0.3 -32,-0.2 -1,-0.2 -0.592 94.7 99.2 -81.7 84.3 1.2 64.3 24.8 61 142 A N S > S- 0 0 12 -2,-1.8 3,-1.9 -3,-0.2 4,-0.2 -0.933 81.7-122.0-173.0 132.3 0.3 64.2 28.5 62 143 A V G > S+ 0 0 66 356,-0.3 3,-1.2 -2,-0.3 713,-0.1 0.765 108.7 68.4 -58.9 -26.5 -2.4 65.7 30.7 63 144 A H G 3 S+ 0 0 17 352,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.431 80.8 77.1 -75.4 1.2 0.3 67.4 32.8 64 145 A S G X + 0 0 8 -3,-1.9 3,-1.3 -5,-0.2 294,-0.3 0.589 67.3 108.5 -85.9 -10.4 1.2 69.7 29.9 65 146 A N T < S+ 0 0 71 -3,-1.2 292,-0.2 1,-0.2 291,-0.0 -0.425 86.6 13.9 -58.7 135.8 -1.8 71.9 30.5 66 147 A N T > S+ 0 0 99 290,-1.3 3,-1.4 1,-0.1 -1,-0.2 0.670 77.1 144.4 71.1 20.1 -0.8 75.3 32.0 67 148 A T T < + 0 0 8 -3,-1.3 -1,-0.1 289,-0.4 290,-0.1 0.336 48.3 91.4 -73.8 9.8 2.9 74.9 31.1 68 149 A V T 3 + 0 0 88 288,-0.3 -1,-0.3 289,-0.0 2,-0.1 0.800 64.7 101.6 -68.6 -28.6 3.1 78.7 30.4 69 150 A R < - 0 0 174 -3,-1.4 3,-0.1 1,-0.1 289,-0.1 -0.325 61.4-159.2 -59.2 133.2 4.1 78.9 34.1 70 151 A G S S+ 0 0 31 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.813 70.4 48.6 -90.0 -34.5 7.8 79.5 34.5 71 152 A R + 0 0 106 3,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.925 62.8 137.1-121.3 106.1 8.6 78.4 38.1 72 153 A T > - 0 0 26 -2,-0.6 3,-1.1 -3,-0.1 43,-0.1 -0.927 60.1-114.1-134.5 158.8 7.3 75.1 39.5 73 154 A P T 3 S+ 0 0 36 0, 0.0 -17,-0.1 0, 0.0 23,-0.0 0.529 110.7 66.8 -69.1 -6.4 9.0 72.4 41.6 74 155 A Y T 3 S+ 0 0 46 -19,-0.1 2,-0.4 21,-0.1 -18,-0.1 0.493 74.3 111.0 -92.9 -2.3 8.8 69.9 38.7 75 156 A R < + 0 0 2 -3,-1.1 21,-2.3 -20,-0.2 2,-0.3 -0.574 43.4 176.5 -82.6 128.7 11.2 71.9 36.5 76 157 A T E - G 0 95B 0 -2,-0.4 -22,-3.0 19,-0.3 2,-0.6 -0.949 35.5-108.3-131.3 149.6 14.6 70.3 35.8 77 158 A L E -FG 53 94B 0 17,-1.4 16,-2.8 -2,-0.3 17,-0.6 -0.686 38.3-152.1 -77.4 119.2 17.7 71.1 33.7 78 159 A L E -FG 52 92B 0 -26,-3.6 -26,-1.0 -2,-0.6 2,-0.4 -0.653 11.7-169.9 -95.9 148.0 17.8 68.7 30.8 79 160 A M E +FG 51 91B 23 12,-1.8 12,-0.9 -2,-0.3 2,-0.3 -0.956 16.4 148.7-145.7 119.3 21.1 67.6 29.0 80 161 A N E -F 50 0B 19 -30,-2.0 -30,-2.4 -2,-0.4 3,-0.1 -0.927 54.6 -86.1-134.1 164.2 21.6 65.6 25.8 81 162 A E E > S-F 49 0B 72 -2,-0.3 3,-1.9 -32,-0.2 -32,-0.3 -0.407 70.3 -79.9 -64.0 148.7 24.3 65.7 23.1 82 163 A L T 3 S+ 0 0 17 -34,-2.7 -1,-0.1 1,-0.3 -34,-0.1 -0.330 118.2 22.7 -63.1 130.4 23.4 68.3 20.6 83 164 A G T 3 S+ 0 0 0 1,-0.3 1176,-2.5 1175,-0.1 -1,-0.3 0.422 88.8 115.7 92.3 -1.0 20.8 67.2 18.1 84 165 A V < - 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