==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-11 3SAL . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR M.Y.WANG,J.X.QI,Y.LIU,C.J.VAVRICKA,Y.WU,Q.LI,G.F.GAO . 788 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 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 . 57 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 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 . 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 6 6 4 14 4 2 2 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 6 6 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 P 0 0 149 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 135.2 -8.2 -8.0 44.9 2 83 A E - 0 0 169 104,-0.3 2,-0.1 105,-0.0 153,-0.1 -0.899 360.0 -92.9-131.2 159.9 -11.3 -10.0 45.9 3 84 A F - 0 0 52 -2,-0.3 2,-0.4 103,-0.1 103,-0.3 -0.471 44.4-113.1 -69.3 142.6 -13.8 -12.3 44.2 4 85 A L - 0 0 17 101,-2.4 150,-1.3 1,-0.2 151,-0.7 -0.645 16.9-150.2 -76.7 126.7 -16.9 -10.6 42.9 5 86 A N + 0 0 91 -2,-0.4 149,-1.1 148,-0.2 -1,-0.2 0.988 22.2 175.3 -57.4 -61.3 -20.0 -11.8 44.8 6 87 A N + 0 0 12 147,-0.2 199,-0.4 1,-0.1 -1,-0.1 0.813 37.8 121.1 58.0 33.0 -22.3 -11.3 41.8 7 88 A T + 0 0 48 197,-0.1 -1,-0.1 198,-0.1 3,-0.1 0.306 39.0 116.4-107.2 6.0 -25.2 -12.7 43.8 8 89 A E S S- 0 0 45 196,-0.2 196,-2.1 1,-0.1 197,-0.5 -0.232 75.2 -93.1 -68.6 160.3 -27.4 -9.6 43.5 9 90 A P - 0 0 54 0, 0.0 333,-2.5 0, 0.0 2,-0.2 -0.423 45.2-101.5 -67.7 151.8 -30.8 -9.6 41.6 10 91 A L B -a 342 0A 10 331,-0.2 333,-0.2 1,-0.1 193,-0.1 -0.548 45.8-105.0 -68.7 139.5 -30.7 -8.7 38.0 11 92 A a - 0 0 2 331,-3.0 2,-0.5 -2,-0.2 -1,-0.1 -0.356 22.8-125.4 -62.8 143.1 -31.9 -5.1 37.5 12 93 A N - 0 0 118 265,-0.1 2,-0.3 -3,-0.1 265,-0.1 -0.835 37.5-170.4 -82.8 126.2 -35.4 -4.4 36.1 13 94 A V - 0 0 4 -2,-0.5 361,-0.2 1,-0.1 3,-0.1 -0.913 29.3-163.1-124.7 150.6 -34.9 -2.2 33.1 14 95 A S S S+ 0 0 45 359,-2.4 363,-0.3 -2,-0.3 2,-0.3 0.445 75.9 4.6-109.1 -4.1 -37.3 -0.2 30.9 15 96 A G E -B 373 0B 4 358,-1.2 358,-2.6 361,-0.2 2,-0.4 -0.981 65.1-117.1-167.5 170.5 -35.0 0.4 28.0 16 97 A F E -B 372 0B 4 361,-0.3 2,-0.4 -2,-0.3 356,-0.2 -0.987 22.1-158.9-126.3 127.1 -31.6 -0.3 26.4 17 98 A A E -B 371 0B 29 354,-2.9 354,-2.5 -2,-0.4 2,-0.2 -0.831 27.7-108.0-105.5 139.7 -29.0 2.4 25.7 18 99 A I E +B 370 0B 60 -2,-0.4 352,-0.3 352,-0.2 3,-0.1 -0.472 36.4 174.1 -68.2 132.6 -26.2 2.1 23.2 19 100 A V E - 0 0 78 350,-3.6 2,-0.3 1,-0.4 351,-0.2 0.749 58.3 -4.3-108.8 -40.0 -22.8 1.8 25.0 20 101 A S E -B 369 0B 16 349,-1.3 349,-2.2 64,-0.0 -1,-0.4 -0.989 41.3-167.7-154.9 162.2 -20.4 1.1 22.2 21 102 A K E -B 368 0B 48 -2,-0.3 347,-0.2 347,-0.2 64,-0.1 -0.898 10.8-160.1-152.8 122.0 -19.9 0.5 18.5 22 103 A D - 0 0 7 345,-1.4 5,-0.1 -2,-0.3 346,-0.1 0.742 9.1-157.0 -85.0 -22.0 -16.5 -0.8 17.2 23 104 A N > + 0 0 56 344,-0.5 4,-2.4 1,-0.1 5,-0.2 0.793 35.1 156.5 54.4 29.2 -16.8 0.2 13.5 24 105 A G H > + 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.827 63.4 46.6 -61.3 -38.9 -14.2 -2.5 12.9 25 106 A I H 4 S+ 0 0 1 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.910 112.0 50.6 -74.6 -40.0 -14.9 -3.3 9.3 26 107 A R H >4 S+ 0 0 131 358,-0.3 3,-1.1 1,-0.2 4,-0.3 0.940 115.0 44.5 -56.7 -48.5 -15.0 0.4 8.3 27 108 A I H >X S+ 0 0 78 -4,-2.4 4,-3.1 1,-0.2 3,-1.8 0.906 106.7 61.1 -62.6 -40.9 -11.6 0.9 10.1 28 109 A G T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.488 79.1 84.8 -69.6 -5.0 -10.3 -2.3 8.5 29 110 A S T <4 S- 0 0 53 -3,-1.1 -1,-0.3 -4,-0.5 362,-0.2 0.829 123.0 -3.1 -60.7 -30.3 -10.7 -0.9 5.0 30 111 A R T <4 S+ 0 0 235 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.592 123.9 76.0-131.3 -37.7 -7.3 0.7 5.6 31 112 A G S < S- 0 0 29 -4,-3.1 2,-1.0 -5,-0.2 28,-0.1 -0.146 92.0 -95.8 -72.9 174.8 -6.2 -0.2 9.2 32 113 A H + 0 0 94 26,-0.1 56,-2.5 -3,-0.0 2,-0.4 -0.782 61.5 156.3 -99.0 96.0 -5.0 -3.6 10.3 33 114 A V B -E 87 0C 2 -2,-1.0 26,-3.1 54,-0.3 54,-0.3 -0.963 39.8-115.0-129.4 133.5 -8.0 -5.3 11.7 34 115 A F E -F 58 0D 24 52,-2.6 2,-0.5 -2,-0.4 24,-0.3 -0.316 23.0-120.0 -65.3 146.1 -8.8 -9.0 12.1 35 116 A V E + 0 0 14 22,-2.5 20,-0.6 329,-0.1 22,-0.3 -0.793 54.3 174.1 -77.7 125.9 -11.6 -10.7 10.2 36 117 A I E -F 54 0D 5 -2,-0.5 2,-0.3 329,-0.2 18,-0.2 -0.785 33.9-158.0-132.9 169.4 -13.7 -11.9 13.1 37 118 A R E S+F 53 0D 47 16,-1.6 16,-2.2 -2,-0.3 3,-0.2 -0.935 71.5 22.9-137.9 166.4 -16.9 -13.6 14.3 38 119 A E - 0 0 12 -2,-0.3 2,-2.4 1,-0.2 -1,-0.1 0.888 58.4-166.1 44.9 66.6 -18.8 -13.5 17.6 39 120 A P + 0 0 1 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.423 24.3 175.9 -74.3 66.7 -17.6 -10.2 19.2 40 121 A F - 0 0 0 -2,-2.4 11,-3.4 11,-0.3 2,-0.4 -0.326 20.4-135.0 -78.4 158.6 -19.0 -11.1 22.6 41 122 A V E +G 50 0D 0 9,-0.2 108,-0.5 288,-0.1 2,-0.3 -0.906 21.2 176.5-117.7 142.0 -18.5 -9.0 25.7 42 123 A A E -G 49 0D 1 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.992 15.3-147.1-139.8 147.5 -17.5 -9.9 29.3 43 124 A b E -G 48 0D 15 -2,-0.3 61,-0.5 288,-0.3 5,-0.3 -0.935 9.1-168.8-122.2 136.5 -17.0 -7.6 32.2 44 125 A G - 0 0 1 3,-3.6 3,-0.2 -2,-0.4 63,-0.0 -0.343 54.1 -77.3 -96.9-170.8 -14.7 -7.6 35.2 45 126 A P S S+ 0 0 23 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.831 127.8 12.3 -58.1 -36.4 -14.9 -5.3 38.3 46 127 A T S S+ 0 0 129 1,-0.2 2,-0.3 290,-0.0 -3,-0.0 0.275 124.8 49.4-126.8 7.8 -13.4 -2.3 36.5 47 128 A E - 0 0 67 -3,-0.2 -3,-3.6 2,-0.0 2,-0.4 -0.976 51.5-157.0-158.3 132.2 -13.3 -3.3 32.8 48 129 A b E -G 43 0D 28 -2,-0.3 34,-2.2 -5,-0.3 2,-0.3 -0.910 21.4-168.4-106.6 143.5 -15.4 -4.7 30.0 49 130 A R E -GH 42 81D 19 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.6 -0.961 21.3-131.2-131.2 146.6 -13.7 -6.3 27.0 50 131 A T E -GH 41 80D 6 30,-2.7 30,-2.2 -2,-0.3 2,-0.3 -0.886 26.3-164.5 -92.9 119.7 -14.8 -7.5 23.6 51 132 A F E + H 0 79D 0 -11,-3.4 -11,-0.3 -2,-0.6 2,-0.3 -0.681 13.3 172.0 -96.2 157.4 -13.7 -11.0 22.9 52 133 A F E - H 0 78D 0 26,-2.2 26,-2.4 -2,-0.3 2,-0.4 -0.989 30.9-120.9-160.8 156.4 -13.7 -12.5 19.3 53 134 A L E +FH 37 77D 0 -16,-2.2 -16,-1.6 -2,-0.3 2,-0.3 -0.873 33.5 175.9 -99.6 139.0 -12.7 -15.4 17.2 54 135 A T E -FH 36 76D 0 22,-2.2 22,-2.7 -2,-0.4 43,-0.2 -0.979 39.2-138.2-139.2 153.5 -10.3 -14.9 14.3 55 136 A Q E - 0 0 43 -20,-0.6 3,-0.1 -2,-0.3 20,-0.1 0.329 61.5-103.1 -84.1 5.0 -8.6 -17.1 11.7 56 137 A G E S+ 0 0 48 -21,-0.3 2,-0.4 1,-0.3 -20,-0.1 0.833 85.8 125.1 73.4 31.8 -5.5 -14.9 12.2 57 138 A A E - 0 0 5 -22,-0.3 -22,-2.5 7,-0.1 -1,-0.3 -0.944 53.4-133.8-122.8 146.4 -6.2 -13.1 9.0 58 139 A L E > -F 34 0D 43 -2,-0.4 3,-1.6 -24,-0.3 6,-0.3 -0.699 30.0 -94.1 -99.2 150.9 -6.6 -9.3 8.4 59 140 A L T 3 S+ 0 0 8 -26,-3.1 -26,-0.2 -2,-0.3 3,-0.1 -0.304 111.2 19.9 -54.8 141.6 -9.3 -7.5 6.4 60 141 A N T 3 S+ 0 0 35 1,-0.3 2,-0.3 -28,-0.1 -1,-0.3 0.608 101.5 115.0 67.4 15.2 -8.2 -6.7 2.9 61 142 A D S X S- 0 0 64 -3,-1.6 3,-2.2 1,-0.1 -1,-0.3 -0.877 77.0-119.6-112.1 151.8 -5.6 -9.4 2.9 62 143 A K G > S+ 0 0 146 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.767 109.4 67.8 -58.4 -27.7 -5.5 -12.6 0.8 63 144 A H G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -5,-0.1 4,-0.2 0.639 86.3 69.9 -70.4 -11.1 -5.6 -14.8 4.0 64 145 A S G < S+ 0 0 4 -3,-2.2 299,-0.4 -6,-0.3 -1,-0.3 0.553 70.4 122.9 -80.1 -8.5 -9.1 -13.5 4.6 65 146 A N S < S- 0 0 69 -3,-1.8 2,-2.5 -4,-0.2 3,-0.3 -0.311 76.2-118.4 -51.9 130.6 -10.2 -15.6 1.6 66 147 A N S S+ 0 0 75 295,-2.6 -1,-0.1 1,-0.2 -2,-0.1 -0.421 80.4 115.8 -74.7 69.9 -13.0 -18.0 2.7 67 148 A T + 0 0 108 -2,-2.5 2,-0.4 -4,-0.2 -1,-0.2 0.252 57.3 73.6-121.9 7.2 -10.9 -21.1 1.8 68 149 A V S S- 0 0 55 -3,-0.3 4,-0.1 4,-0.0 -13,-0.0 -0.966 83.9-111.2-125.3 140.5 -10.5 -22.5 5.3 69 150 A K - 0 0 127 -2,-0.4 3,-0.1 2,-0.1 -2,-0.1 -0.262 29.5-113.7 -66.2 156.8 -13.1 -24.2 7.4 70 151 A D S S+ 0 0 100 1,-0.2 2,-1.8 2,-0.0 5,-0.1 0.915 111.9 59.4 -56.7 -46.9 -14.4 -22.5 10.6 71 152 A R S S+ 0 0 91 3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.577 82.2 146.7 -87.5 78.1 -12.8 -25.1 12.8 72 153 A S > - 0 0 2 -2,-1.8 3,-0.8 -3,-0.1 44,-0.1 -0.654 63.9-113.8-110.5 165.0 -9.3 -24.6 11.7 73 154 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.575 115.1 59.5 -72.1 -8.0 -5.9 -24.9 13.5 74 155 A Y T 3 S+ 0 0 143 22,-0.1 -20,-0.1 2,-0.0 2,-0.1 0.639 76.0 114.6 -92.3 -16.9 -5.5 -21.1 13.0 75 156 A R < + 0 0 18 -3,-0.8 22,-2.1 -5,-0.1 2,-0.3 -0.323 43.2 175.9 -64.8 130.5 -8.6 -20.0 14.9 76 157 A A E -HI 54 96D 8 -22,-2.7 -22,-2.2 20,-0.3 2,-0.5 -0.966 30.8-129.2-136.8 150.0 -7.9 -18.0 18.0 77 158 A L E +HI 53 95D 0 18,-3.3 17,-2.6 -2,-0.3 18,-1.8 -0.865 37.9 163.7 -94.5 129.0 -9.8 -16.2 20.8 78 159 A M E -HI 52 93D 25 -26,-2.4 -26,-2.2 -2,-0.5 2,-0.3 -0.844 18.3-150.3-133.9 172.7 -8.5 -12.6 21.4 79 160 A S E -HI 51 92D 0 13,-1.8 13,-2.8 -2,-0.3 -28,-0.2 -0.991 10.5-176.0-146.3 155.5 -9.9 -9.5 23.2 80 161 A V E -H 50 0D 0 -30,-2.2 -30,-2.7 -2,-0.3 3,-0.1 -0.922 47.6 -76.1-136.2 164.1 -9.7 -5.7 23.1 81 162 A P E > -H 49 0D 54 0, 0.0 3,-2.4 0, 0.0 -32,-0.3 -0.317 69.0 -81.7 -56.9 147.3 -11.2 -3.1 25.4 82 163 A L T 3 S+ 0 0 43 -34,-2.2 3,-0.1 1,-0.3 -34,-0.1 -0.286 119.5 20.6 -55.7 126.3 -15.0 -2.6 24.8 83 164 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.3 -3,-0.1 -62,-0.2 0.147 95.7 120.6 100.2 -19.3 -15.5 -0.4 21.9 84 164AA S S < S- 0 0 28 -3,-2.4 -1,-0.4 1,-0.1 -60,-0.1 -0.437 70.4-108.0 -73.8 150.7 -12.1 -0.9 20.3 85 165 A S - 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