==== 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 26-JUL-06 2HTR . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.J.RUSSELL,L.F.HAIRE,D.J.STEVENS,P.J.COLLINS,Y.P.LIN,G.M.BL . 387 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 61.0 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 . 133 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 7 1.8 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 . 35 9.0 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 . 7 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 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 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 4 4 4 3 1 1 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 5 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 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 83 A T 0 0 147 0, 0.0 2,-0.1 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 168.0 11.3 10.6 -15.1 2 84 A Y - 0 0 53 151,-0.1 2,-0.6 1,-0.1 103,-0.3 -0.404 360.0-115.9 -78.7 151.4 13.5 13.2 -13.4 3 85 A M - 0 0 7 101,-3.2 150,-1.7 1,-0.2 151,-0.6 -0.780 20.2-155.2 -86.1 119.7 12.2 16.4 -11.7 4 86 A N + 0 0 88 -2,-0.6 149,-0.6 148,-0.2 -1,-0.2 0.969 16.8 177.9 -59.8 -54.7 13.5 19.4 -13.7 5 87 A N + 0 0 16 147,-0.2 199,-0.3 1,-0.1 197,-0.1 0.904 37.1 125.8 48.9 47.2 13.3 21.8 -10.7 6 88 A T + 0 0 52 197,-0.1 -1,-0.1 198,-0.1 199,-0.1 0.447 40.3 104.8-108.9 -7.5 14.8 24.5 -12.9 7 89 A E S S- 0 0 53 196,-0.2 196,-1.1 1,-0.1 197,-0.7 -0.092 76.5-104.3 -66.0 172.2 11.9 27.0 -12.3 8 90 A A - 0 0 32 328,-0.3 330,-2.7 194,-0.3 194,-0.1 -0.660 41.8 -87.6 -98.9 156.8 12.4 30.0 -9.9 9 91 A I B -a 338 0A 16 -2,-0.2 330,-0.2 328,-0.2 2,-0.2 -0.341 49.4-108.0 -61.4 142.2 11.1 30.2 -6.4 10 92 A a - 0 0 7 328,-1.9 2,-0.9 1,-0.1 -1,-0.1 -0.494 26.9-118.5 -72.4 142.8 7.5 31.6 -6.2 11 93 A D - 0 0 96 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.756 41.2-167.7 -84.5 108.1 7.2 35.1 -4.8 12 94 A A - 0 0 0 -2,-0.9 357,-0.2 1,-0.1 356,-0.1 -0.656 28.0-159.0-101.0 155.5 5.1 34.6 -1.7 13 95 A K S S- 0 0 105 355,-1.5 2,-0.3 1,-0.4 356,-0.2 0.569 77.7 -23.7-103.3 -17.1 3.3 37.1 0.5 14 96 A G - 0 0 0 354,-1.2 2,-0.4 353,-0.6 -1,-0.4 -0.939 69.2-101.8-175.9 178.5 3.0 34.9 3.5 15 97 A F - 0 0 0 -2,-0.3 352,-0.2 357,-0.1 353,-0.1 -0.978 22.5-151.6-127.3 138.3 2.9 31.2 4.4 16 98 A A E -B 366 0B 30 350,-2.1 350,-2.4 -2,-0.4 2,-0.1 -0.758 33.8 -93.1-105.9 150.8 -0.0 29.0 5.3 17 99 A P E +B 365 0B 62 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.369 36.7 177.8 -62.9 135.7 -0.0 25.9 7.6 18 100 A F E - 0 0 89 346,-4.2 2,-0.3 1,-0.4 347,-0.2 0.797 61.6 -26.2-101.2 -50.7 0.5 22.6 5.7 19 101 A S E -B 364 0B 23 345,-1.1 345,-2.4 64,-0.0 -1,-0.4 -0.962 39.9-155.6-158.1 172.9 0.6 20.2 8.6 20 102 A K E -B 363 0B 52 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.862 6.8-165.8-157.3 117.5 1.2 19.5 12.3 21 103 A D - 0 0 8 341,-1.3 63,-0.2 -2,-0.3 342,-0.1 0.800 16.8-149.2 -81.1 -29.1 2.0 16.0 13.6 22 104 A N > + 0 0 52 340,-0.4 4,-2.2 61,-0.1 5,-0.3 0.866 33.4 165.8 61.4 35.8 1.5 16.5 17.4 23 105 A G H > + 0 0 1 1,-0.2 4,-1.9 2,-0.2 338,-0.1 0.873 66.7 39.5 -51.0 -48.5 4.2 13.9 17.8 24 106 A I H 4 S+ 0 0 2 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.920 113.2 51.5 -73.1 -46.3 4.9 14.4 21.5 25 107 A R H >4 S+ 0 0 131 1,-0.2 3,-1.2 354,-0.2 4,-0.3 0.941 116.6 43.1 -55.4 -47.7 1.3 15.0 22.7 26 108 A I H >X S+ 0 0 79 -4,-2.2 4,-2.8 1,-0.3 3,-2.0 0.902 104.0 65.3 -63.6 -42.8 0.3 11.7 21.0 27 109 A G T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.3 5,-0.2 0.559 80.7 83.0 -59.0 -6.8 3.5 10.0 22.3 28 110 A S T <4 S+ 0 0 53 -3,-1.2 -1,-0.3 -4,-0.5 358,-0.2 0.871 119.0 2.6 -65.3 -37.2 2.0 10.4 25.8 29 111 A R T <4 S+ 0 0 237 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.1 0.664 124.2 73.4-117.4 -34.9 -0.0 7.3 25.2 30 112 A G S < S- 0 0 25 -4,-2.8 2,-1.1 -5,-0.1 28,-0.0 -0.097 89.5 -97.2 -79.2 178.0 1.0 6.1 21.7 31 113 A H + 0 0 94 26,-0.1 56,-2.0 28,-0.0 2,-0.4 -0.734 57.0 160.4-100.3 85.6 4.2 4.4 20.4 32 114 A I B -E 86 0C 6 -2,-1.1 26,-2.8 54,-0.2 54,-0.2 -0.886 41.1-116.9-111.3 134.2 6.1 7.3 19.0 33 115 A F E -F 57 0D 27 52,-2.3 2,-0.5 -2,-0.4 24,-0.3 -0.362 29.8-117.2 -63.9 147.2 9.9 7.4 18.3 34 116 A V E + 0 0 0 22,-2.5 20,-1.3 325,-0.1 22,-0.3 -0.764 53.2 175.4 -82.1 131.3 11.8 9.9 20.4 35 117 A I E +F 53 0D 3 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.644 29.5 179.6-130.5-169.5 13.2 12.2 17.7 36 118 A R E +F 52 0D 23 16,-0.6 16,-1.9 -2,-0.2 324,-0.1 -0.862 66.1 40.3 176.9 158.0 15.1 15.3 16.9 37 119 A E E S+ 0 0 8 -2,-0.3 2,-0.2 14,-0.2 62,-0.1 0.914 70.0 178.5 55.6 49.7 16.2 17.0 13.6 38 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.536 4.1 169.0 -81.1 153.4 12.9 16.4 11.7 39 121 A F E -F 50 0D 1 11,-2.5 11,-3.4 -2,-0.2 2,-0.4 -0.989 27.0-119.7-158.2 163.7 12.7 17.8 8.2 40 122 A V E +F 49 0D 1 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.884 26.8 162.6-116.3 142.9 10.6 17.7 5.0 41 123 A S E -F 48 0D 3 7,-1.6 7,-2.8 -2,-0.4 2,-0.3 -0.969 22.9-142.0-148.8 148.6 11.4 16.7 1.4 42 124 A b E -F 47 0D 12 -2,-0.3 61,-0.6 285,-0.3 5,-0.3 -0.892 8.9-156.6-124.6 152.3 9.0 15.9 -1.4 43 125 A S - 0 0 6 3,-3.7 3,-0.1 -2,-0.3 65,-0.0 -0.626 48.5 -96.3-107.5 169.7 8.6 13.4 -4.3 44 126 A P S S+ 0 0 31 0, 0.0 3,-0.1 0, 0.0 284,-0.0 0.446 125.8 40.1 -72.0 11.1 6.4 14.3 -7.2 45 127 A I S S- 0 0 139 1,-0.4 2,-0.3 287,-0.0 -3,-0.0 0.624 125.6 -5.1-125.7 -28.1 3.7 12.3 -5.5 46 128 A E - 0 0 52 -3,-0.1 -3,-3.7 2,-0.0 -1,-0.4 -0.985 58.7-119.9-162.1 164.3 3.9 13.1 -1.8 47 129 A b E -F 42 0D 8 -2,-0.3 34,-1.9 -5,-0.3 2,-0.3 -0.918 30.1-160.3-112.3 141.5 5.9 14.9 0.8 48 130 A R E -FG 41 80D 7 -7,-2.8 -7,-1.6 -2,-0.4 2,-0.6 -0.836 16.2-131.0-121.4 158.5 7.5 13.1 3.7 49 131 A T E -FG 40 79D 4 30,-3.7 30,-1.7 -2,-0.3 2,-0.2 -0.942 25.1-161.5-111.1 115.9 8.8 14.0 7.1 50 132 A F E +FG 39 78D 0 -11,-3.4 -11,-2.5 -2,-0.6 2,-0.3 -0.641 15.1 169.9 -94.3 154.6 12.3 12.7 7.8 51 133 A F E - G 0 77D 1 26,-2.1 26,-2.3 -13,-0.2 2,-0.5 -0.995 34.2-120.1-161.3 158.9 13.7 12.3 11.3 52 134 A L E -FG 36 76D 0 -16,-1.9 -16,-0.6 -2,-0.3 24,-0.2 -0.917 32.7-159.2-105.7 125.8 16.5 11.0 13.4 53 135 A T E -FG 35 75D 0 22,-3.1 22,-1.3 -2,-0.5 -18,-0.2 -0.606 24.8-140.3-101.9 164.9 15.4 8.6 16.1 54 136 A Q E - 0 0 13 -20,-1.3 20,-0.2 2,-0.4 3,-0.1 0.151 53.0-109.0-103.7 13.3 17.2 7.5 19.3 55 137 A G E S+ 0 0 50 -21,-0.3 2,-0.3 1,-0.3 19,-0.1 0.765 91.1 96.5 63.8 25.2 16.0 4.0 18.6 56 138 A S E - 0 0 7 -22,-0.3 -22,-2.5 7,-0.1 -2,-0.4 -0.900 69.4-117.2-140.1 167.4 13.6 4.5 21.6 57 139 A L E > -F 33 0D 41 -2,-0.3 3,-1.1 -24,-0.3 6,-0.3 -0.823 31.9 -97.9-113.5 149.6 10.0 5.5 22.3 58 140 A L T 3 S+ 0 0 7 -26,-2.8 -26,-0.2 -2,-0.3 3,-0.1 -0.280 108.8 22.4 -59.1 144.4 8.4 8.4 24.2 59 141 A N T 3 S+ 0 0 46 1,-0.3 2,-0.3 4,-0.1 -1,-0.2 0.708 103.1 111.5 66.9 25.4 7.4 7.5 27.8 60 142 A D S X S- 0 0 66 -3,-1.1 3,-1.9 1,-0.1 -1,-0.3 -0.916 79.4-117.1-126.5 153.1 9.9 4.7 27.9 61 143 A K G > S+ 0 0 162 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.741 110.0 67.8 -60.2 -26.0 13.1 4.3 29.9 62 144 A H G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.596 84.4 72.6 -72.0 -9.2 15.2 4.1 26.8 63 145 A S G X S+ 0 0 2 -3,-1.9 3,-0.8 -6,-0.3 295,-0.4 0.306 74.1 110.9 -86.8 12.4 14.3 7.8 26.1 64 146 A N T < S+ 0 0 93 -3,-1.3 2,-2.0 1,-0.2 -2,-0.1 0.931 81.4 16.7 -52.1-100.7 16.7 8.7 29.0 65 147 A G T > S+ 0 0 45 1,-0.2 2,-2.2 292,-0.1 3,-1.5 -0.015 80.2 143.8 -72.1 40.8 19.9 10.5 27.9 66 148 A T T < + 0 0 7 -2,-2.0 -1,-0.2 -3,-0.8 292,-0.2 -0.171 52.6 76.7 -74.8 46.9 18.3 11.3 24.5 67 149 A V T 3 + 0 0 43 -2,-2.2 -1,-0.2 3,-0.1 -2,-0.1 0.510 61.9 93.3-126.6 -19.4 20.0 14.6 24.4 68 150 A K S < S- 0 0 119 -3,-1.5 -2,-0.1 1,-0.1 -3,-0.0 0.616 80.3-138.6 -53.5 -21.5 23.6 13.6 23.4 69 151 A D S S+ 0 0 73 29,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.034 73.8 52.3 84.2 -27.6 23.0 14.1 19.7 70 152 A R + 0 0 77 -16,-0.0 -3,-0.1 44,-0.0 -2,-0.1 -0.984 52.8 134.8-143.2 153.7 24.8 10.9 18.6 71 153 A S > - 0 0 9 -2,-0.3 3,-0.7 44,-0.1 44,-0.1 -0.912 61.3 -98.0 178.2 162.7 24.9 7.2 19.4 72 154 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.0 0, 0.0 25,-0.0 0.546 120.3 58.4 -73.8 -3.9 25.0 3.9 17.5 73 155 A F T 3 S+ 0 0 132 -19,-0.1 -20,-0.1 2,-0.1 23,-0.1 0.670 75.5 116.5 -95.2 -22.2 21.2 3.6 17.9 74 156 A R < - 0 0 1 -3,-0.7 22,-0.8 -20,-0.2 2,-0.3 -0.249 46.0-178.4 -50.8 123.8 20.5 6.8 16.1 75 157 A T E -GH 53 95D 19 -22,-1.3 -22,-3.1 20,-0.2 2,-0.5 -0.966 26.9-130.9-135.1 146.8 18.5 6.0 12.9 76 158 A L E +GH 52 94D 0 18,-3.9 17,-2.5 -2,-0.3 18,-1.3 -0.836 40.5 151.3 -97.0 129.6 17.0 8.0 9.9 77 159 A M E -GH 51 92D 15 -26,-2.3 -26,-2.1 -2,-0.5 2,-0.3 -0.856 23.6-146.7-144.9 178.2 13.4 7.2 9.1 78 160 A S E -GH 50 91D 0 13,-1.8 13,-1.8 -2,-0.3 2,-0.3 -0.998 13.5-179.2-155.5 157.3 10.3 8.8 7.5 79 161 A V E -G 49 0D 1 -30,-1.7 -30,-3.7 -2,-0.3 2,-0.2 -0.847 49.7 -78.1-140.9 172.8 6.5 9.1 7.4 80 162 A E E > -G 48 0D 88 -32,-0.3 3,-2.5 -2,-0.3 -32,-0.3 -0.584 67.4 -80.0 -79.5 142.9 4.2 11.2 5.3 81 163 A V T 3 S+ 0 0 28 -34,-1.9 -1,-0.1 1,-0.3 3,-0.1 -0.072 118.5 25.7 -42.9 132.9 4.0 14.9 6.3 82 164 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.3 -63,-0.1 2,-0.2 0.094 93.9 112.6 98.5 -23.0 1.6 15.4 9.2 83 165 A Q S < S- 0 0 44 -3,-2.5 -1,-0.4 1,-0.1 -62,-0.2 -0.594 73.6-112.8 -83.0 146.7 2.0 11.9 10.6 84 166 A S - 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0 0 0 -22,-0.8 18,-0.2 -2,-0.8 -43,-0.2 -0.997 54.4-172.0-159.1 149.6 22.4 8.0 11.0 97 178 A W S S+ 0 0 13 16,-2.9 2,-0.2 1,-0.4 17,-0.1 0.084 99.9 30.5-122.0 15.5 22.9 10.6 13.7 98 179 A S S S+ 0 0 2 15,-0.5 15,-2.7 -24,-0.1 -1,-0.4 -0.790 82.1 164.2-170.1 126.4 23.0 13.2 11.0 99 180 A A E -I 112 0E 0 -2,-0.2 47,-2.8 13,-0.2 48,-0.5 -0.854 26.0-165.5-144.8 177.8 21.1 13.1 7.7 100 181 A T E -I 111 0E 0 11,-1.0 11,-1.9 -2,-0.3 2,-0.3 -0.925 15.1-172.4-163.0 144.9 19.7 14.6 4.5 101 182 A A E +I 110 0E 0 46,-0.4 48,-1.7 -2,-0.3 2,-0.3 -0.985 9.2 162.5-144.8 154.3 17.2 13.3 1.9 102 183 A c E -I 109 0E 3 7,-2.0 7,-2.7 -2,-0.3 2,-0.4 -0.956 27.8-130.3-168.1 151.7 15.8 14.3 -1.5 103 184 A H E -I 108 0E 23 -61,-0.6 48,-0.2 -2,-0.3 5,-0.2 -0.907 5.1-161.4-110.7 135.2 13.8 12.8 -4.4 104 185 A D - 0 0 1 3,-1.6 -101,-3.2 -2,-0.4 50,-0.3 0.460 59.9 -90.2 -93.4 -1.4 15.0 13.2 -8.1 105 186 A G S S+ 0 0 13 2,-0.4 3,-0.1 -103,-0.3 -103,-0.1 0.173 121.7 50.9 114.0 -17.4 11.7 12.3 -9.6 106 187 A K S S- 0 0 106 1,-0.4 2,-0.3 -103,-0.1 -104,-0.1 0.736 117.6 -6.7-114.4 -53.3 12.3 8.6 -9.9 107 188 A K S S- 0 0 101 -5,-0.0 -3,-1.6 -64,-0.0 -1,-0.4 -0.874 71.4 -94.2-140.8 172.3 13.5 7.5 -6.5 108 189 A W E -I 103 0E 31 -2,-0.3 19,-1.9 -5,-0.2 2,-0.5 -0.710 28.8-161.0 -91.5 140.8 14.6 8.7 -3.0 109 190 A M E -IJ 102 126E 2 -7,-2.7 -7,-2.0 -2,-0.3 2,-0.3 -0.981 12.9-178.1-120.3 128.6 18.2 9.3 -2.1 110 191 A T E -IJ 101 125E 3 15,-1.6 15,-2.5 -2,-0.5 2,-0.4 -0.865 16.2-157.1-124.2 161.6 19.2 9.5 1.5 111 192 A V E -IJ 100 124E 0 -11,-1.9 -11,-1.0 -2,-0.3 2,-0.5 -0.914 12.8-178.2-140.2 108.2 22.5 10.2 3.3 112 193 A G E -IJ 99 123E 0 11,-2.3 11,-2.7 -2,-0.4 2,-0.5 -0.932 11.5-155.8-111.7 130.1 23.0 8.9 6.8 113 194 A V E + J 0 122E 0 -15,-2.7 -16,-2.9 -2,-0.5 -15,-0.5 -0.897 29.8 144.3-105.1 129.7 26.2 9.6 8.7 114 195 A T E + J 0 121E 25 7,-2.7 7,-2.9 -2,-0.5 28,-0.1 -0.802 21.3 75.4-146.3-175.1 27.1 7.2 11.5 115 196 A G S S- 0 0 26 -2,-0.2 5,-0.2 5,-0.2 -44,-0.1 -0.327 86.3 -21.4 96.2 179.2 30.2 5.6 13.1 116 197 A P > - 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