==== 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 25-JUL-06 2HT5 . 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) . 14807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 33.6 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 . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 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 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 . 2 1 2 4 3 5 3 0 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 4 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 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 0 142 0, 0.0 2,-0.1 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 158.4 101.8 10.5 96.7 2 84 A Y - 0 0 69 103,-0.1 2,-0.5 151,-0.1 103,-0.3 -0.407 360.0-109.6 -75.5 152.9 104.1 13.0 98.3 3 85 A M - 0 0 6 101,-2.8 150,-1.7 -2,-0.1 2,-1.4 -0.722 17.7-141.4 -88.6 122.0 102.8 16.1 100.0 4 86 A N + 0 0 93 -2,-0.5 2,-0.6 148,-0.2 3,-0.5 -0.682 29.5 167.1 -81.1 91.9 103.3 19.4 98.3 5 87 A N + 0 0 5 -2,-1.4 199,-0.3 1,-0.2 -1,-0.1 -0.465 41.5 116.1-101.6 57.7 104.0 21.6 101.3 6 88 A T + 0 0 58 -2,-0.6 -1,-0.2 197,-0.1 198,-0.1 0.657 46.4 98.2 -95.8 -26.1 105.2 24.2 98.8 7 89 A E S S- 0 0 51 -3,-0.5 196,-1.2 196,-0.2 197,-0.6 0.065 77.9 -98.4 -62.1 172.0 102.6 26.9 99.5 8 90 A A - 0 0 37 328,-0.3 330,-2.6 194,-0.3 2,-0.3 -0.491 43.4 -91.9 -89.5 162.1 102.9 29.9 101.7 9 91 A I B -a 338 0A 16 328,-0.2 330,-0.2 -2,-0.2 265,-0.1 -0.582 49.6-108.5 -73.7 134.1 101.6 30.1 105.3 10 92 A a - 0 0 6 328,-1.7 2,-0.7 -2,-0.3 -1,-0.1 -0.362 27.4-116.1 -64.0 142.6 98.1 31.5 105.4 11 93 A D - 0 0 102 328,-0.1 2,-0.3 262,-0.1 -1,-0.1 -0.717 42.4-170.4 -80.5 116.5 97.7 35.0 106.7 12 94 A A - 0 0 1 -2,-0.7 357,-0.2 1,-0.1 356,-0.1 -0.865 28.7-161.1-114.8 146.4 95.6 34.5 109.9 13 95 A K S S- 0 0 111 355,-1.3 359,-0.3 -2,-0.3 2,-0.3 0.486 76.5 -20.4 -99.6 -5.5 94.0 37.1 112.1 14 96 A G - 0 0 0 354,-1.1 2,-0.4 353,-0.2 -1,-0.2 -0.972 69.1 -94.8-179.7-178.3 93.6 34.8 115.1 15 97 A F - 0 0 0 -2,-0.3 352,-0.2 357,-0.2 353,-0.2 -0.974 21.9-154.4-129.3 127.1 93.4 31.2 116.2 16 98 A A E -B 366 0B 31 350,-1.8 350,-1.8 -2,-0.4 2,-0.2 -0.680 36.8 -96.7 -93.9 147.7 90.4 29.0 116.8 17 99 A P E -B 365 0B 70 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.461 38.5-180.0 -65.7 128.3 90.6 26.0 119.2 18 100 A F E - 0 0 90 346,-4.2 2,-0.3 1,-0.3 347,-0.2 0.903 57.5 -22.5 -92.2 -59.8 91.3 22.7 117.4 19 101 A S E -B 364 0B 22 345,-0.9 345,-2.4 64,-0.0 -1,-0.3 -0.969 41.0-159.6-152.0 166.2 91.3 20.2 120.2 20 102 A K E -B 363 0B 56 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.938 2.7-169.5-149.6 122.7 91.8 19.5 124.0 21 103 A D - 0 0 8 341,-1.0 63,-0.2 -2,-0.3 5,-0.1 0.836 14.1-155.5 -86.2 -32.2 92.6 16.1 125.3 22 104 A N > + 0 0 51 340,-0.5 4,-2.5 61,-0.1 5,-0.3 0.832 31.5 163.3 59.0 30.9 92.1 16.6 129.1 23 105 A G H > + 0 0 2 1,-0.2 4,-1.5 2,-0.2 338,-0.1 0.856 66.2 46.1 -48.1 -45.5 94.5 13.7 129.5 24 106 A I H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.884 111.0 48.8 -71.0 -41.6 95.2 14.5 133.2 25 107 A R H >4 S+ 0 0 132 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.957 116.0 46.6 -59.9 -48.5 91.6 15.0 134.4 26 108 A I H >X S+ 0 0 74 -4,-2.5 4,-3.2 1,-0.3 3,-1.5 0.830 103.5 65.0 -59.6 -34.8 90.8 11.8 132.6 27 109 A G H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -5,-0.3 5,-0.2 0.684 78.1 81.6 -65.7 -18.7 93.9 10.3 134.2 28 110 A S T << S- 0 0 56 -3,-1.4 -1,-0.3 -4,-0.7 358,-0.2 0.821 122.6 -0.9 -56.3 -29.5 92.4 10.6 137.7 29 111 A R T <4 S+ 0 0 232 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.603 121.4 73.7-131.0 -33.0 90.5 7.4 136.9 30 112 A G S < S- 0 0 28 -4,-3.2 2,-1.0 -5,-0.2 28,-0.0 -0.118 90.2 -93.7 -79.0-177.9 91.4 6.2 133.3 31 113 A H + 0 0 96 26,-0.1 56,-1.7 -3,-0.0 2,-0.4 -0.759 59.2 161.4-102.2 89.7 94.6 4.6 132.1 32 114 A I B -E 86 0C 5 -2,-1.0 26,-2.1 54,-0.2 54,-0.2 -0.860 39.3-117.0-114.7 143.7 96.7 7.5 130.8 33 115 A F B -F 57 0D 18 52,-2.3 2,-0.8 -2,-0.4 24,-0.2 -0.526 24.9-123.4 -75.6 138.8 100.3 7.8 130.1 34 116 A V + 0 0 15 22,-1.7 20,-0.7 -2,-0.2 22,-0.3 -0.779 54.6 178.8 -77.8 116.3 102.3 10.3 132.2 35 117 A I - 0 0 6 -2,-0.8 2,-0.3 325,-0.3 18,-0.2 -0.395 31.3-158.4-114.4-166.6 103.6 12.2 129.2 36 118 A R S S+ 0 0 40 16,-0.4 16,-2.3 -2,-0.1 3,-0.2 -0.898 70.3 20.8-171.3 142.1 105.7 15.1 128.1 37 119 A E - 0 0 10 -2,-0.3 2,-3.0 1,-0.2 13,-0.1 0.954 59.7-167.7 59.0 58.4 105.9 17.2 124.8 38 120 A P + 0 0 1 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.301 23.8 173.4 -74.1 63.7 102.4 16.4 123.4 39 121 A F - 0 0 0 -2,-3.0 11,-3.0 -3,-0.2 2,-0.4 -0.313 21.8-134.3 -73.3 156.3 103.4 17.8 120.0 40 122 A V E +G 49 0E 0 9,-0.2 108,-0.6 285,-0.1 2,-0.3 -0.885 26.2 165.6-116.1 143.4 101.2 17.6 116.9 41 123 A S E -G 48 0E 4 7,-1.8 7,-2.8 -2,-0.4 2,-0.3 -0.973 22.2-139.7-149.1 146.7 101.9 16.7 113.3 42 124 A b E -G 47 0E 6 285,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.873 6.5-156.7-119.1 147.8 99.5 15.9 110.5 43 125 A S - 0 0 6 3,-3.6 3,-0.1 -2,-0.3 65,-0.0 -0.576 48.9 -94.5-103.4 171.4 99.4 13.4 107.6 44 126 A P S S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.591 127.5 41.0 -67.6 -1.6 97.2 14.1 104.6 45 127 A I S S- 0 0 139 1,-0.4 2,-0.3 287,-0.0 -3,-0.0 0.698 125.5 -8.1-113.2 -28.8 94.5 12.0 106.3 46 128 A E - 0 0 47 -3,-0.1 -3,-3.6 2,-0.0 2,-0.5 -0.995 57.2-116.0-164.9 161.3 94.7 13.1 110.0 47 129 A b E -G 42 0E 11 -2,-0.3 34,-2.5 -5,-0.3 2,-0.3 -0.886 32.8-163.4-104.7 136.1 96.6 15.0 112.7 48 130 A R E -GH 41 80E 8 -7,-2.8 -7,-1.8 -2,-0.5 2,-0.6 -0.839 18.2-132.0-119.2 157.2 98.1 13.0 115.5 49 131 A T E -GH 40 79E 7 30,-2.9 30,-1.9 -2,-0.3 -9,-0.2 -0.940 25.8-165.2-107.3 114.5 99.4 14.0 119.0 50 132 A F E + H 0 78E 0 -11,-3.0 2,-0.3 -2,-0.6 28,-0.2 -0.614 15.3 164.5 -94.2 160.4 102.8 12.4 119.6 51 133 A F E - H 0 77E 0 26,-1.9 26,-2.2 -2,-0.2 2,-0.4 -0.988 35.3-104.2-167.9 164.6 104.3 12.3 123.1 52 134 A L E - H 0 76E 1 -16,-2.3 -16,-0.4 -2,-0.3 2,-0.3 -0.792 33.2-168.4-100.4 142.2 107.0 10.8 125.4 53 135 A T E - H 0 75E 0 22,-2.3 22,-1.9 -2,-0.4 43,-0.2 -0.961 29.0-157.8-132.1 150.7 106.2 8.1 127.9 54 136 A Q - 0 0 29 -20,-0.7 20,-0.1 -2,-0.3 3,-0.1 0.219 61.2-103.7-103.0 8.1 108.0 6.5 130.8 55 137 A G S S+ 0 0 51 1,-0.3 2,-0.2 -21,-0.2 8,-0.1 0.634 87.0 127.3 76.4 14.1 105.7 3.5 130.5 56 138 A S - 0 0 8 -22,-0.3 -22,-1.7 6,-0.1 2,-0.4 -0.688 51.5-142.9-105.0 157.4 104.0 4.9 133.5 57 139 A L B > -F 33 0D 42 -2,-0.2 3,-0.9 -24,-0.2 6,-0.4 -0.945 30.8 -98.8-121.3 140.2 100.3 5.7 134.2 58 140 A L T 3 S+ 0 0 8 -26,-2.1 -26,-0.2 -2,-0.4 3,-0.1 -0.215 109.7 25.9 -53.5 144.7 98.9 8.6 136.2 59 141 A N T 3 S+ 0 0 42 1,-0.3 2,-0.3 328,-0.3 -1,-0.2 0.741 101.1 109.6 69.7 26.1 97.9 7.6 139.7 60 142 A D S X S- 0 0 63 -3,-0.9 3,-1.6 327,-0.2 -1,-0.3 -0.939 80.2-118.5-127.6 152.3 100.4 4.7 139.7 61 143 A K G > S+ 0 0 153 -2,-0.3 3,-0.9 1,-0.3 -3,-0.1 0.670 109.5 68.9 -63.8 -17.4 103.6 4.5 141.7 62 144 A H G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -5,-0.2 3,-0.3 0.715 82.2 70.9 -75.3 -19.6 105.6 4.3 138.5 63 145 A S G < + 0 0 3 -3,-1.6 295,-0.3 -6,-0.4 -1,-0.3 0.241 63.3 134.9 -78.3 16.3 104.7 7.9 137.7 64 146 A N < - 0 0 71 -3,-0.9 2,-1.3 1,-0.2 -1,-0.2 0.418 56.5-147.0 -48.0 -0.6 107.1 8.6 140.6 65 147 A G S S+ 0 0 38 -3,-0.3 -1,-0.2 1,-0.2 292,-0.1 0.328 76.2 101.7 50.0 -11.6 108.7 11.3 138.5 66 148 A T + 0 0 99 -2,-1.3 -1,-0.2 290,-0.2 2,-0.2 0.660 54.5 105.8 -74.4 -14.7 112.1 10.5 140.1 67 149 A V S S- 0 0 50 -5,-0.2 4,-0.1 1,-0.1 -13,-0.0 -0.458 84.1-105.6 -67.3 133.8 113.0 8.6 136.9 68 150 A K > - 0 0 140 -2,-0.2 3,-0.6 2,-0.1 -1,-0.1 -0.202 19.9-123.1 -58.6 148.8 115.5 10.6 134.8 69 151 A D T 3 S+ 0 0 97 1,-0.3 2,-1.6 -3,-0.1 5,-0.2 0.959 112.3 50.9 -58.3 -49.7 114.1 12.3 131.6 70 152 A R T 3 S+ 0 0 84 3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.437 86.0 147.3 -88.8 64.6 116.6 10.4 129.5 71 153 A S < - 0 0 3 -2,-1.6 3,-0.3 -3,-0.6 44,-0.2 -0.459 63.3-109.9 -94.2 168.6 115.8 6.9 131.0 72 154 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.417 115.2 56.2 -78.5 5.6 115.9 3.6 129.2 73 155 A F S S+ 0 0 118 22,-0.0 23,-0.1 2,-0.0 -20,-0.1 0.735 73.5 115.1-104.8 -30.9 112.1 3.4 129.3 74 156 A R + 0 0 14 -3,-0.3 22,-1.2 -5,-0.2 2,-0.3 -0.131 41.7 173.3 -45.9 128.1 111.2 6.6 127.5 75 157 A T E -HI 53 95E 22 -22,-1.9 -22,-2.3 20,-0.3 2,-0.5 -0.980 32.4-122.1-140.5 151.1 109.4 5.9 124.3 76 158 A L E +HI 52 94E 0 18,-3.9 17,-2.4 -2,-0.3 18,-1.6 -0.809 41.5 159.9 -94.7 130.5 107.6 8.0 121.6 77 159 A M E -HI 51 92E 24 -26,-2.2 -26,-1.9 -2,-0.5 2,-0.3 -0.809 16.5-156.7-138.3 178.5 104.0 7.0 121.1 78 160 A S E -HI 50 91E 0 13,-1.7 13,-2.5 -2,-0.3 2,-0.3 -0.999 15.1-174.5-161.7 162.6 100.9 8.7 119.6 79 161 A V E -H 49 0E 1 -30,-1.9 -30,-2.9 -2,-0.3 2,-0.2 -0.844 49.2 -72.3-144.4 176.9 97.1 9.0 119.3 80 162 A E E > -H 48 0E 84 -32,-0.3 3,-2.2 -2,-0.3 -32,-0.3 -0.565 68.4 -82.9 -78.6 144.9 94.8 11.1 117.1 81 163 A V T 3 S+ 0 0 24 -34,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.167 116.9 21.4 -47.3 131.1 94.7 14.8 118.0 82 164 A G T 3 S+ 0 0 21 1,-0.4 -1,-0.3 -63,-0.1 -62,-0.1 -0.049 95.5 108.7 99.6 -33.7 92.3 15.4 120.9 83 165 A Q S < S- 0 0 53 -3,-2.2 -1,-0.4 1,-0.1 -60,-0.1 -0.455 78.0-107.4 -73.7 153.5 92.3 11.9 122.3 84 166 A S - 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