==== 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 4GZT . 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) . 47252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 59.7 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 . 541 34.9 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 136 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 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 . 3 2 4 12 12 27 8 2 7 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 0 119 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 143.0 43.2 42.7 25.4 2 83 A E - 0 0 164 103,-0.3 2,-0.1 1,-0.0 152,-0.1 -0.845 360.0 -95.2-121.9 160.9 44.1 39.0 25.3 3 84 A Y - 0 0 52 -2,-0.3 2,-0.6 1,-0.1 102,-0.3 -0.331 40.3-106.5 -69.0 155.4 42.2 36.0 23.9 4 85 A R + 0 0 16 100,-2.7 149,-1.3 1,-0.2 150,-0.5 -0.791 37.9 170.2 -85.1 122.1 40.0 33.9 26.2 5 86 A N - 0 0 51 -2,-0.6 -1,-0.2 147,-0.3 3,-0.1 0.617 30.8-146.0 -97.1 -19.3 41.5 30.5 26.9 6 87 A W + 0 0 9 1,-0.2 2,-1.8 195,-0.1 197,-0.6 0.859 38.7 160.7 58.2 33.7 39.0 29.5 29.6 7 88 A S + 0 0 65 195,-0.1 -1,-0.2 329,-0.1 -2,-0.0 -0.420 33.7 100.3 -91.0 64.4 41.9 27.7 31.3 8 89 A K S S- 0 0 70 -2,-1.8 195,-0.3 -3,-0.1 328,-0.2 -0.965 78.5 -95.3-143.0 152.2 40.4 27.5 34.7 9 90 A P - 0 0 93 0, 0.0 328,-3.4 0, 0.0 2,-0.4 -0.304 47.7 -96.5 -66.8 156.8 38.6 24.7 36.6 10 91 A Q B -a 337 0A 45 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.599 47.9-107.3 -69.1 126.1 34.8 24.5 36.5 11 92 A a - 0 0 17 326,-2.9 2,-0.2 -2,-0.4 -1,-0.1 -0.124 36.6 -98.5 -43.5 141.5 33.3 26.2 39.6 12 93 A D - 0 0 128 -3,-0.1 2,-0.4 355,-0.1 -1,-0.1 -0.496 44.9-158.1 -56.9 142.6 31.8 23.9 42.3 13 94 A I + 0 0 9 -2,-0.2 356,-0.2 356,-0.1 3,-0.1 -0.988 33.0 168.0-134.6 124.5 28.1 23.9 41.7 14 95 A T S S- 0 0 50 354,-2.8 2,-0.3 -2,-0.4 355,-0.1 0.332 74.9 -64.1-106.3 1.0 25.4 23.0 44.3 15 96 A G E -B 368 0A 0 353,-0.7 353,-2.2 281,-0.1 -1,-0.4 -0.983 70.0 -53.3 144.6-156.8 22.7 24.3 42.0 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.935 30.8-152.0-133.1 138.4 21.6 27.6 40.5 17 98 A A E -B 366 0A 0 349,-3.3 349,-3.2 -2,-0.4 502,-0.1 -0.833 37.7 -94.0-108.9 145.7 20.8 31.1 41.7 18 99 A P E +B 365 0A 4 0, 0.0 347,-0.2 0, 0.0 483,-0.1 -0.359 49.1 161.9 -54.8 134.5 18.4 33.6 40.1 19 100 A F E - 0 0 10 345,-2.2 2,-0.3 1,-0.3 346,-0.2 0.676 51.0 -5.2-127.7 -43.6 20.3 35.9 37.8 20 101 A S E +B 364 0A 3 344,-2.2 344,-2.9 463,-0.2 -1,-0.3 -1.000 40.7 175.4-162.2 154.9 17.9 37.7 35.3 21 102 A K E -B 363 0A 0 -2,-0.3 342,-0.2 342,-0.2 462,-0.1 -0.912 10.9-164.7-162.0 130.1 14.5 38.1 33.9 22 103 A D - 0 0 2 340,-1.4 5,-0.1 -2,-0.3 341,-0.1 0.536 18.2-147.5-108.3 -0.2 13.1 40.5 31.3 23 104 A N > + 0 0 0 339,-0.4 4,-3.0 355,-0.1 5,-0.2 0.772 37.4 162.4 44.1 36.0 9.3 40.4 31.6 24 105 A S H > + 0 0 2 1,-0.2 4,-2.1 2,-0.2 337,-0.1 0.844 65.5 43.8 -59.1 -45.0 9.2 41.1 27.9 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.905 114.8 51.1 -73.8 -38.2 5.6 40.0 27.1 26 107 A R H >4 S+ 0 0 18 353,-0.3 3,-1.0 1,-0.2 421,-0.3 0.925 113.1 45.8 -58.7 -47.1 4.3 41.7 30.2 27 108 A L H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.848 102.8 64.2 -64.1 -35.7 6.1 44.9 29.1 28 109 A S G >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.609 85.9 75.0 -69.5 -5.3 4.9 44.6 25.5 29 110 A A G < S+ 0 0 17 -3,-1.0 422,-0.4 -4,-0.5 -1,-0.3 0.564 116.9 14.8 -82.3 -10.8 1.3 45.1 26.7 30 111 A G G < S+ 0 0 11 -3,-1.6 -1,-0.3 420,-0.2 2,-0.2 -0.314 127.4 47.3-158.6 67.0 2.0 48.8 27.3 31 112 A G S < S- 0 0 7 -3,-0.6 2,-1.0 2,-0.1 29,-0.3 -0.819 89.5 -90.7 170.2 157.2 5.2 49.5 25.4 32 113 A D + 0 0 44 -2,-0.2 2,-0.4 27,-0.1 56,-0.3 -0.770 55.8 162.6 -90.6 102.6 6.9 48.8 22.0 33 114 A I - 0 0 1 -2,-1.0 26,-2.5 -5,-0.2 27,-0.2 -0.938 38.4-104.4-121.2 139.0 8.8 45.5 22.4 34 115 A W E -E 58 0B 1 52,-2.5 2,-0.5 -2,-0.4 24,-0.3 -0.272 22.8-125.1 -58.2 140.5 10.2 43.2 19.8 35 116 A V E + 0 0 0 22,-2.3 20,-2.3 324,-0.1 22,-0.4 -0.786 49.5 163.0 -79.7 124.4 8.5 39.8 18.9 36 117 A T E -E 54 0B 1 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.870 24.7-178.2-135.0 170.6 11.4 37.3 19.3 37 118 A R E +E 53 0B 38 16,-1.6 16,-2.0 -2,-0.3 323,-0.1 -0.928 61.9 43.2-157.8 172.8 12.1 33.6 19.6 38 119 A E E S- 0 0 20 -2,-0.3 -1,-0.1 14,-0.2 15,-0.1 0.938 73.6-178.4 53.7 59.0 15.3 31.4 20.1 39 120 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.308 8.5 173.4 -79.1 166.8 17.0 33.6 22.7 40 121 A Y E -E 51 0B 0 11,-2.3 11,-3.3 107,-0.1 2,-0.4 -0.974 23.9-128.1-166.7 165.0 20.3 33.1 24.3 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.945 26.5 164.2-120.1 136.9 22.8 34.7 26.5 42 123 A S E -E 49 0B 0 7,-1.8 7,-3.3 -2,-0.4 2,-0.4 -0.971 19.0-148.6-146.4 155.7 26.5 35.2 25.9 43 124 A b E -E 48 0B 4 -2,-0.3 60,-0.4 287,-0.3 5,-0.3 -0.939 8.4-140.2-126.3 146.2 29.0 37.5 27.7 44 125 A D - 0 0 14 3,-2.8 62,-0.0 -2,-0.4 5,-0.0 -0.372 55.4 -83.6 -82.8 175.6 32.1 39.5 27.0 45 126 A P S S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.801 129.6 34.7 -54.7 -26.2 34.9 39.5 29.6 46 127 A D S S+ 0 0 100 1,-0.2 2,-0.3 471,-0.0 -3,-0.0 0.832 123.5 0.4 -93.0 -39.1 33.0 42.4 31.4 47 128 A K - 0 0 61 471,-0.0 -3,-2.8 34,-0.0 2,-0.2 -0.959 64.7-104.0-155.1 167.2 29.3 41.8 31.0 48 129 A b E -E 43 0B 11 -2,-0.3 34,-2.1 -5,-0.3 2,-0.4 -0.608 23.3-158.8-101.0 152.5 26.5 39.7 29.6 49 130 A Y E -EF 42 81B 34 -7,-3.3 -7,-1.8 32,-0.3 2,-0.4 -0.957 12.7-137.6-126.2 146.8 24.2 40.2 26.6 50 131 A Q E -EF 41 80B 0 30,-2.5 30,-2.3 -2,-0.4 2,-0.3 -0.881 24.7-171.5-102.0 137.6 20.9 38.8 25.7 51 132 A F E +EF 40 79B 1 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.3 -0.898 11.0 160.9-122.1 151.1 20.5 37.8 22.1 52 133 A A E - F 0 78B 0 26,-1.7 26,-3.9 -2,-0.3 2,-0.7 -0.962 42.2-107.2-161.9 164.3 17.4 36.7 20.2 53 134 A L E -EF 37 77B 0 -16,-2.0 -16,-1.6 -2,-0.3 24,-0.2 -0.882 39.7-149.4 -95.7 115.8 16.1 36.4 16.7 54 135 A G E -E 36 0B 0 22,-3.3 22,-0.4 -2,-0.7 -18,-0.3 -0.355 14.9-133.2 -80.1 164.2 13.6 39.1 16.2 55 136 A Q E - 0 0 6 -20,-2.3 20,-0.2 2,-0.5 -19,-0.1 -0.028 47.7-106.4-102.5 30.3 10.6 38.7 13.8 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 20,-0.2 19,-0.1 0.674 95.5 75.4 55.9 17.6 11.2 42.1 12.2 57 138 A T E S- 0 0 0 -22,-0.4 -22,-2.3 1137,-0.1 -2,-0.5 -0.957 77.2-118.6-148.0 158.9 8.1 43.5 14.1 58 139 A T E -E 34 0B 0 1135,-0.3 -24,-0.3 -2,-0.3 6,-0.2 -0.533 35.6-110.4 -88.6 171.7 7.1 44.7 17.6 59 140 A L S S+ 0 0 2 -26,-2.5 2,-1.5 1,-0.2 5,-0.3 0.957 110.8 55.1 -75.9 -52.0 4.3 42.9 19.5 60 141 A N S S+ 0 0 84 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.639 93.3 94.2 -83.4 89.0 1.7 45.6 19.3 61 142 A N S > S- 0 0 11 -2,-1.5 3,-1.6 -3,-0.1 4,-0.3 -0.939 85.3-114.1-178.4 139.0 1.8 45.9 15.6 62 143 A V G > S+ 0 0 68 1134,-0.3 3,-1.1 -2,-0.3 1135,-0.1 0.786 111.7 68.0 -68.3 -18.4 -0.2 44.4 12.7 63 144 A H G 3 S+ 0 0 10 1130,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.595 77.6 79.8 -79.5 -6.9 2.9 42.6 11.6 64 145 A S G X + 0 0 11 -3,-1.6 3,-1.4 -5,-0.3 294,-0.4 0.677 66.7 108.3 -68.5 -18.9 3.0 40.3 14.8 65 146 A N T < S+ 0 0 73 -3,-1.1 292,-0.2 -4,-0.3 291,-0.0 -0.347 86.0 13.3 -50.7 133.4 0.3 38.1 13.2 66 147 A N T > S+ 0 0 72 290,-1.7 3,-1.6 1,-0.1 -1,-0.2 0.712 74.2 141.4 72.2 23.0 1.8 34.7 12.1 67 148 A T T < + 0 0 7 -3,-1.4 -1,-0.1 289,-0.3 290,-0.1 0.424 51.1 91.8 -76.1 3.1 5.1 35.1 14.0 68 149 A V T 3 + 0 0 70 288,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.730 67.6 93.3 -61.5 -24.9 4.6 31.4 14.7 69 150 A R < - 0 0 154 -3,-1.6 3,-0.1 1,-0.1 289,-0.1 -0.573 65.2-159.5 -80.1 137.1 6.7 31.0 11.5 70 151 A G + 0 0 29 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.622 68.3 51.5-101.4 -19.2 10.4 30.7 12.2 71 152 A R + 0 0 110 -16,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.942 61.7 136.7-123.7 108.1 12.2 31.6 9.0 72 153 A T > - 0 0 24 -2,-0.5 3,-0.8 -3,-0.1 43,-0.1 -0.880 61.5-111.6-131.0 169.5 11.4 34.8 7.2 73 154 A P T 3 S+ 0 0 36 0, 0.0 -17,-0.0 0, 0.0 23,-0.0 0.501 112.5 67.0 -73.2 -8.3 13.6 37.5 5.5 74 155 A Y T 3 S+ 0 0 53 -19,-0.1 2,-0.3 21,-0.1 -18,-0.1 0.473 74.7 106.7 -91.0 -4.0 12.6 39.9 8.3 75 156 A R < + 0 0 1 -3,-0.8 21,-1.9 -20,-0.2 2,-0.3 -0.628 43.6 173.0 -84.3 132.2 14.3 38.1 11.1 76 157 A T E - G 0 95B 0 -22,-0.4 -22,-3.3 -2,-0.3 2,-0.6 -0.931 39.7-102.3-133.4 154.2 17.5 39.6 12.6 77 158 A L E -FG 53 94B 0 17,-2.4 16,-2.7 -2,-0.3 17,-0.6 -0.756 38.3-152.8 -78.2 113.8 19.8 38.8 15.5 78 159 A L E -FG 52 92B 0 -26,-3.9 -26,-1.7 -2,-0.6 2,-0.4 -0.749 11.5-170.2 -88.1 142.7 18.9 41.3 18.4 79 160 A M E +FG 51 91B 24 12,-1.8 12,-0.8 -2,-0.3 2,-0.3 -0.982 16.3 150.6-139.8 115.0 21.6 42.1 20.9 80 161 A N E -F 50 0B 15 -30,-2.3 -30,-2.5 -2,-0.4 3,-0.1 -0.922 54.6 -85.8-130.3 165.4 21.2 44.1 24.2 81 162 A E E > -F 49 0B 68 -2,-0.3 3,-2.5 -32,-0.3 -32,-0.3 -0.444 69.4 -82.9 -64.2 146.2 22.9 44.0 27.6 82 163 A L T 3 S+ 0 0 16 -34,-2.1 -1,-0.1 1,-0.3 -34,-0.1 -0.325 117.9 20.5 -62.1 129.0 21.2 41.3 29.6 83 164 A G T 3 S+ 0 0 0 1,-0.3 398,-2.4 397,-0.1 -1,-0.3 0.404 90.4 114.5 91.5 -4.8 18.0 42.5 31.3 84 165 A V S < S- 0 0 15 -3,-2.5 -1,-0.3 396,-0.2 396,-0.2 -0.928 70.8-131.9 -86.9 114.8 17.6 45.4 28.9 85 166 A P - 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