==== 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 4GZS . 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) . 47492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 914 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 535 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 . 32 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 . 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 . 134 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 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 . 5 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 . 6 0 5 11 13 27 8 2 6 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 15 9 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 0 117 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 113.3 43.2 42.6 25.7 2 83 A E - 0 0 162 103,-0.1 152,-0.1 1,-0.1 3,-0.0 -0.713 360.0 -93.0-109.8 161.4 44.2 38.9 25.3 3 84 A Y - 0 0 63 -2,-0.3 2,-0.4 102,-0.1 102,-0.3 -0.304 45.8-103.5 -65.7 156.3 42.2 36.1 23.9 4 85 A R + 0 0 18 100,-2.4 149,-2.2 1,-0.1 150,-0.7 -0.707 37.9 173.7 -83.2 136.5 40.1 33.9 26.3 5 86 A N - 0 0 50 -2,-0.4 -1,-0.1 147,-0.3 3,-0.1 0.539 27.3-147.4-112.8 -20.4 41.7 30.6 27.1 6 87 A W + 0 0 8 1,-0.2 2,-1.0 197,-0.1 197,-0.6 0.828 39.4 157.5 52.7 39.8 39.2 29.5 29.8 7 88 A S + 0 0 70 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.395 31.4 100.1-100.8 55.4 42.1 27.7 31.5 8 89 A K S S- 0 0 69 -2,-1.0 195,-0.2 -3,-0.1 329,-0.2 -0.979 79.2 -97.6-134.3 144.0 40.7 27.5 35.0 9 90 A P - 0 0 100 0, 0.0 328,-2.2 0, 0.0 2,-0.2 -0.180 49.4 -92.0 -53.8 151.5 39.0 24.5 36.7 10 91 A Q B -a 337 0A 49 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.477 48.7-107.2 -65.8 137.0 35.1 24.4 36.8 11 92 A a - 0 0 17 326,-2.5 328,-0.1 -2,-0.2 -1,-0.1 -0.312 36.2 -95.9 -64.7 147.1 33.6 26.0 39.9 12 93 A D - 0 0 128 355,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.376 43.2-158.3 -55.6 137.3 32.1 23.9 42.7 13 94 A I + 0 0 11 1,-0.1 356,-0.2 356,-0.1 3,-0.1 -0.942 32.9 164.7-131.6 115.2 28.3 23.8 42.2 14 95 A T S S- 0 0 53 354,-2.2 2,-0.3 -2,-0.5 355,-0.1 0.503 76.0 -66.3 -94.8 -9.2 25.8 23.0 44.9 15 96 A G E -B 368 0A 0 353,-0.9 353,-2.0 -3,-0.1 2,-0.4 -0.977 68.6 -48.2 150.6-159.3 23.1 24.3 42.6 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.859 33.2-155.4-121.5 141.3 21.9 27.5 40.9 17 98 A A E -B 366 0A 0 349,-2.9 349,-2.6 -2,-0.4 2,-0.2 -0.794 36.0 -96.5-109.1 151.0 21.2 31.0 42.1 18 99 A P E +B 365 0A 5 0, 0.0 347,-0.2 0, 0.0 483,-0.1 -0.516 48.1 163.0 -69.7 138.2 18.8 33.5 40.6 19 100 A F E - 0 0 12 345,-2.6 2,-0.3 1,-0.3 346,-0.2 0.706 52.7 -5.9-124.2 -44.8 20.6 35.9 38.3 20 101 A S E -B 364 0A 3 344,-2.0 344,-3.1 463,-0.2 -1,-0.3 -0.984 41.1-177.4-161.5 150.0 18.3 37.7 35.8 21 102 A K E -B 363 0A 0 -2,-0.3 342,-0.2 342,-0.2 462,-0.1 -0.980 7.2-167.0-146.8 135.0 14.7 38.0 34.6 22 103 A D - 0 0 2 340,-1.8 341,-0.1 -2,-0.3 5,-0.1 0.622 15.7-151.1-110.2 -11.9 13.6 40.3 31.9 23 104 A N > + 0 0 0 339,-0.5 4,-1.8 1,-0.1 5,-0.2 0.750 33.5 160.9 56.9 34.7 9.7 40.3 32.1 24 105 A S H > + 0 0 0 2,-0.2 4,-2.0 1,-0.2 337,-0.1 0.782 63.9 46.1 -65.8 -38.5 9.3 41.0 28.4 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.960 113.4 49.0 -72.5 -49.7 5.7 39.9 27.7 26 107 A R H >4 S+ 0 0 22 353,-0.3 3,-0.5 1,-0.2 421,-0.4 0.820 114.0 47.7 -53.6 -37.0 4.3 41.7 30.8 27 108 A L H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.897 102.4 62.4 -73.6 -38.7 6.2 44.9 29.7 28 109 A S G >< S+ 0 0 1 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.562 86.9 75.5 -63.9 -7.3 5.0 44.5 26.1 29 110 A A G < S+ 0 0 15 -3,-0.5 422,-0.3 -4,-0.5 -1,-0.3 0.620 117.3 13.6 -77.6 -15.9 1.4 45.0 27.4 30 111 A G G < S+ 0 0 10 -3,-2.1 -1,-0.3 420,-0.1 2,-0.2 -0.390 126.8 43.3-158.6 72.4 2.1 48.7 27.8 31 112 A G S < S- 0 0 7 -3,-0.5 2,-1.0 2,-0.1 29,-0.2 -0.744 91.7 -82.6 157.8 156.7 5.3 49.5 26.0 32 113 A D + 0 0 40 -2,-0.2 56,-0.5 27,-0.1 2,-0.4 -0.689 56.0 164.4 -90.0 96.7 7.0 48.7 22.6 33 114 A I - 0 0 1 -2,-1.0 26,-3.3 -5,-0.2 27,-0.2 -0.893 34.7-113.3-116.3 139.9 8.7 45.4 22.9 34 115 A W E -E 58 0B 0 52,-2.3 2,-0.5 -2,-0.4 24,-0.3 -0.250 23.6-118.6 -62.1 153.0 10.0 43.1 20.2 35 116 A V E + 0 0 0 22,-2.6 20,-2.1 324,-0.1 22,-0.4 -0.860 48.3 169.0 -89.3 127.0 8.6 39.7 19.3 36 117 A T E +E 54 0B 2 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.952 22.2 177.4-136.2 155.5 11.3 37.2 19.9 37 118 A R E +E 53 0B 39 16,-1.6 16,-2.2 -2,-0.3 323,-0.1 -0.916 64.7 38.1-142.4 175.6 12.0 33.5 20.1 38 119 A E E S+ 0 0 22 -2,-0.3 -1,-0.1 14,-0.2 16,-0.1 0.904 75.7 178.5 51.8 52.8 15.1 31.3 20.5 39 120 A P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.272 4.9 169.9 -77.0 171.0 16.8 33.7 23.0 40 121 A Y E -E 51 0B 0 11,-2.5 11,-2.9 107,-0.1 2,-0.4 -0.963 24.9-120.9-172.8 170.8 20.2 33.1 24.7 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.981 26.1 161.8-130.7 133.4 22.9 34.6 26.8 42 123 A S E -E 49 0B 0 7,-1.8 7,-2.6 -2,-0.4 2,-0.4 -0.974 20.3-146.8-144.9 157.4 26.7 35.2 26.3 43 124 A b E -E 48 0B 5 -2,-0.3 60,-0.4 5,-0.3 5,-0.3 -0.958 8.7-142.4-130.4 141.1 29.1 37.5 28.0 44 125 A D - 0 0 15 3,-2.1 62,-0.0 -2,-0.4 5,-0.0 -0.202 57.3 -82.2 -76.1-178.8 32.3 39.5 27.2 45 126 A P S S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.851 129.1 36.1 -56.4 -30.0 34.9 39.6 30.0 46 127 A D S S+ 0 0 95 1,-0.2 2,-0.3 472,-0.0 -3,-0.0 0.895 122.6 0.4 -91.2 -43.3 33.0 42.4 31.7 47 128 A K - 0 0 66 471,-0.0 -3,-2.1 -5,-0.0 -1,-0.2 -0.956 64.5-107.3-153.2 158.8 29.3 41.8 31.4 48 129 A b E -E 43 0B 9 -2,-0.3 34,-2.0 469,-0.3 2,-0.4 -0.520 23.4-154.8 -93.5 158.5 26.6 39.6 29.9 49 130 A Y E -EF 42 81B 32 -7,-2.6 -7,-1.8 32,-0.3 2,-0.6 -0.984 11.3-137.0-130.1 143.8 24.3 40.1 27.0 50 131 A Q E -EF 41 80B 0 30,-2.7 30,-2.0 -2,-0.4 2,-0.3 -0.911 24.2-172.4-101.2 119.6 20.9 38.8 26.1 51 132 A F E +EF 40 79B 1 -11,-2.9 -11,-2.5 -2,-0.6 2,-0.3 -0.723 10.0 163.1 -99.4 155.2 20.5 37.8 22.5 52 133 A A E - F 0 78B 0 26,-0.9 26,-2.6 -2,-0.3 2,-0.7 -0.956 40.6-102.5-158.9 172.2 17.3 36.7 20.8 53 134 A L E -EF 37 77B 0 -16,-2.2 -16,-1.6 -2,-0.3 24,-0.2 -0.915 37.6-144.7-106.3 112.3 15.8 36.3 17.3 54 135 A G E -E 36 0B 0 22,-3.6 22,-0.4 -2,-0.7 -18,-0.2 -0.349 13.8-146.4 -73.3 148.9 13.5 39.1 16.3 55 136 A Q E - 0 0 6 -20,-2.1 20,-0.2 2,-0.4 -1,-0.1 0.025 51.3-108.2 -92.7 22.3 10.5 38.7 14.2 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 20,-0.2 19,-0.1 0.831 92.9 82.4 54.5 32.5 11.2 42.2 12.8 57 138 A T E S- 0 0 0 -22,-0.4 -22,-2.6 7,-0.1 -2,-0.4 -0.972 75.2-122.5-159.2 147.6 8.1 43.5 14.7 58 139 A T E -E 34 0B 0 -24,-0.3 -24,-0.3 -2,-0.3 3,-0.1 -0.476 37.8-108.9 -83.2 167.9 7.2 44.7 18.2 59 140 A L S S+ 0 0 2 -26,-3.3 2,-1.5 1,-0.2 5,-0.2 0.876 108.6 59.1 -71.9 -44.0 4.3 43.0 20.1 60 141 A N S S+ 0 0 78 -29,-0.2 2,-0.3 -27,-0.2 -1,-0.2 -0.618 93.1 96.7 -84.9 77.3 1.6 45.6 19.9 61 142 A N S > S- 0 0 21 -2,-1.5 3,-0.7 -3,-0.1 4,-0.2 -0.973 84.1-113.9-160.5 155.4 1.5 45.8 16.2 62 143 A V G > S+ 0 0 60 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.884 112.0 62.6 -66.4 -34.9 -0.3 44.5 13.1 63 144 A H G 3 S+ 0 0 12 1130,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.452 81.3 80.5 -76.3 2.1 2.9 42.6 12.1 64 145 A S G X + 0 0 8 -3,-0.7 3,-1.3 -5,-0.2 294,-0.4 0.698 64.8 107.3 -81.0 -19.4 3.0 40.3 15.2 65 146 A N T < S+ 0 0 79 -3,-1.2 292,-0.2 1,-0.2 291,-0.0 -0.374 86.7 15.0 -57.9 132.0 0.3 38.0 13.7 66 147 A N T > S+ 0 0 66 290,-1.5 3,-1.7 1,-0.1 -1,-0.2 0.712 73.1 141.3 70.4 27.5 1.9 34.6 12.7 67 148 A T T < + 0 0 8 -3,-1.3 290,-0.1 289,-0.4 -2,-0.1 0.468 56.2 86.6 -76.7 1.1 5.2 35.1 14.5 68 149 A V T 3 + 0 0 62 288,-0.3 -1,-0.3 -31,-0.0 2,-0.1 0.752 66.5 103.8 -64.9 -27.2 4.7 31.4 15.2 69 150 A R < - 0 0 142 -3,-1.7 3,-0.1 1,-0.1 289,-0.1 -0.351 66.1-149.9 -56.9 134.5 6.5 31.0 11.8 70 151 A G S S+ 0 0 37 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.914 74.6 33.9 -75.0 -48.2 10.2 29.9 12.3 71 152 A R + 0 0 102 3,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.960 62.3 141.8-123.4 116.0 11.9 31.5 9.2 72 153 A T > - 0 0 17 -2,-0.5 3,-0.7 -3,-0.1 43,-0.1 -0.873 57.4-111.7-132.9 166.4 11.1 34.8 7.5 73 154 A P T 3 S+ 0 0 35 0, 0.0 -18,-0.0 0, 0.0 43,-0.0 0.338 110.4 67.5 -81.4 10.5 13.4 37.4 5.9 74 155 A Y T 3 S+ 0 0 46 -19,-0.1 2,-0.2 1473,-0.1 -18,-0.1 0.553 72.5 108.9-102.8 -9.2 12.4 39.9 8.7 75 156 A R < + 0 0 1 -3,-0.7 21,-0.9 -20,-0.2 2,-0.3 -0.499 44.2 175.8 -68.9 134.5 14.1 38.0 11.5 76 157 A T E - G 0 95B 0 -22,-0.4 -22,-3.6 19,-0.2 2,-0.6 -0.915 36.0-106.0-134.4 156.9 17.3 39.7 13.0 77 158 A L E -FG 53 94B 0 17,-2.5 16,-2.9 -2,-0.3 17,-0.5 -0.831 38.0-150.9 -88.7 118.1 19.6 38.8 15.9 78 159 A L E -FG 52 92B 0 -26,-2.6 -26,-0.9 -2,-0.6 2,-0.3 -0.491 9.9-165.6 -89.8 150.1 19.0 41.3 18.8 79 160 A M E +FG 51 91B 25 12,-1.6 12,-0.8 -28,-0.2 2,-0.3 -0.834 18.3 149.2-147.6 108.2 21.6 42.3 21.3 80 161 A N E -F 50 0B 16 -30,-2.0 -30,-2.7 -2,-0.3 3,-0.1 -0.922 52.3 -89.9-124.1 158.4 21.2 44.0 24.6 81 162 A E E > -F 49 0B 62 -2,-0.3 3,-2.5 -32,-0.3 -32,-0.3 -0.343 66.2 -81.9 -55.2 142.5 22.9 44.0 27.9 82 163 A L T 3 S+ 0 0 16 -34,-2.0 -1,-0.1 1,-0.3 -34,-0.1 -0.311 118.8 20.8 -56.0 122.4 21.4 41.4 30.2 83 164 A G T 3 S+ 0 0 0 1,-0.3 398,-2.2 397,-0.1 -1,-0.3 0.309 91.7 114.1 97.5 -8.9 18.3 42.7 31.9 84 165 A V < - 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