==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4B7M . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR E.VAN DER VRIES,S.G.VACHIERI,X.XIONG,J.LIU,P.J.COLLINS,P.A.W . 772 2 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 33.8 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 . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 3 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 0 4 4 7 17 3 0 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 9 3 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 V 0 0 142 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.5 57.7 -51.9 -13.6 2 84 A K - 0 0 97 1,-0.1 103,-0.3 151,-0.1 2,-0.3 -0.357 360.0 -99.5 -71.2 144.2 56.3 -50.4 -10.3 3 85 A L - 0 0 9 101,-2.2 150,-1.7 1,-0.1 151,-0.6 -0.457 22.1-154.7 -67.6 128.1 58.7 -49.0 -7.7 4 86 A A - 0 0 33 -2,-0.3 -1,-0.1 148,-0.2 149,-0.1 0.936 14.2-171.1 -65.8 -49.2 59.4 -51.3 -4.8 5 87 A G + 0 0 2 147,-0.2 199,-2.2 1,-0.1 197,-0.3 0.706 46.1 117.5 63.8 24.8 60.2 -48.4 -2.4 6 88 A N + 0 0 97 197,-0.2 2,-0.2 198,-0.1 -1,-0.1 0.503 45.2 89.3-105.9 -1.7 61.5 -50.8 0.3 7 89 A S S S- 0 0 26 196,-0.1 196,-2.3 1,-0.1 197,-0.3 -0.569 77.6-107.6 -90.2 159.4 65.1 -49.8 0.6 8 90 A S - 0 0 64 194,-0.3 328,-2.3 -2,-0.2 -1,-0.1 -0.239 44.8 -77.5 -79.0 170.0 66.4 -47.2 3.1 9 91 A L B -a 336 0A 6 326,-0.2 328,-0.2 261,-0.2 -1,-0.2 -0.302 53.0-101.6 -62.2 150.5 67.7 -43.7 2.2 10 92 A a - 0 0 10 326,-2.0 2,-0.1 -3,-0.1 -1,-0.1 -0.592 36.0-108.7 -73.6 132.9 71.2 -43.4 0.8 11 93 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.466 43.6-164.5 -53.9 130.9 73.9 -42.2 3.2 12 94 A V + 0 0 16 -2,-0.1 355,-0.2 1,-0.1 3,-0.1 -0.986 31.1 169.1-135.9 121.7 74.7 -38.7 2.2 13 95 A S S S+ 0 0 51 353,-1.4 2,-0.3 -2,-0.4 354,-0.2 0.537 72.9 6.1-103.7 -12.2 77.8 -36.5 3.1 14 96 A G E -B 366 0B 0 352,-1.4 352,-2.4 355,-0.1 2,-0.5 -0.991 65.2-112.7-165.6 168.2 77.1 -33.8 0.6 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.4 350,-0.2 2,-0.4 -0.945 22.6-161.1-119.5 115.8 75.0 -32.2 -2.1 16 98 A A E -B 364 0B 36 348,-2.6 348,-2.8 -2,-0.5 2,-0.2 -0.773 32.0-105.9 -93.4 137.1 76.0 -32.1 -5.7 17 99 A I E +B 363 0B 69 -2,-0.4 346,-0.3 346,-0.2 3,-0.1 -0.432 39.2 174.7 -66.4 131.8 74.3 -29.6 -8.0 18 100 A Y E - 0 0 104 344,-3.7 2,-0.3 1,-0.4 345,-0.2 0.787 56.0 -2.8-109.0 -43.0 71.9 -31.3 -10.4 19 101 A S E -B 362 0B 15 343,-1.6 343,-2.0 63,-0.0 -1,-0.4 -0.985 40.7-177.6-151.7 161.5 70.1 -28.5 -12.3 20 102 A K E -B 361 0B 54 -2,-0.3 341,-0.2 341,-0.2 357,-0.0 -0.826 5.0-172.8-159.1 121.5 69.6 -24.8 -12.8 21 103 A D - 0 0 6 339,-1.7 5,-0.1 -2,-0.2 340,-0.1 0.660 20.5-147.2 -96.6 -18.1 67.1 -23.4 -15.3 22 104 A N > + 0 0 50 338,-0.4 4,-2.4 3,-0.1 5,-0.3 0.865 34.1 165.4 52.3 44.2 67.8 -19.6 -15.3 23 105 A S H > + 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.893 67.4 41.2 -59.5 -50.9 64.1 -18.9 -16.0 24 106 A I H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.858 114.2 52.9 -73.6 -34.8 63.9 -15.2 -15.2 25 107 A R H >4 S+ 0 0 144 352,-0.2 3,-0.6 1,-0.2 4,-0.2 0.935 118.5 36.7 -60.3 -48.0 67.2 -14.4 -16.9 26 108 A I H >X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 3,-1.3 0.852 109.7 63.6 -73.2 -36.2 66.0 -16.2 -20.1 27 109 A G H 3< S+ 0 0 0 -4,-3.0 5,-0.3 1,-0.3 -1,-0.2 0.565 79.1 85.6 -68.0 -10.0 62.4 -14.9 -19.6 28 110 A S T << S- 0 0 51 -3,-0.6 -1,-0.3 -4,-0.6 356,-0.2 0.866 120.0 -0.9 -57.4 -39.2 63.6 -11.3 -20.0 29 111 A K T <4 S+ 0 0 188 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.1 0.663 123.0 79.2-116.9 -42.2 63.3 -11.8 -23.8 30 112 A G S < S- 0 0 27 -4,-2.5 2,-1.3 -5,-0.1 28,-0.1 -0.169 91.9 -98.4 -69.1 163.1 62.1 -15.4 -24.2 31 113 A D + 0 0 31 26,-0.1 2,-0.4 385,-0.0 57,-0.3 -0.689 61.1 157.7 -86.3 90.5 58.6 -16.6 -23.8 32 114 A V - 0 0 3 -2,-1.3 26,-2.5 -5,-0.3 54,-0.2 -0.959 40.7-113.6-122.9 131.8 58.7 -18.0 -20.2 33 115 A F E -E 57 0C 3 52,-3.1 2,-0.6 -2,-0.4 24,-0.3 -0.250 24.8-118.1 -57.5 143.1 55.8 -18.6 -17.8 34 116 A V E - 0 0 15 22,-3.2 20,-0.6 323,-0.1 22,-0.4 -0.807 54.5-176.3 -75.7 118.7 55.5 -16.6 -14.6 35 117 A I E -E 53 0C 2 -2,-0.6 323,-1.1 323,-0.2 2,-0.3 -0.836 30.4-172.3-127.0 157.8 55.8 -19.5 -12.2 36 118 A R E +E 52 0C 44 16,-2.0 16,-2.9 -2,-0.3 321,-0.0 -0.947 68.3 25.8-135.8 161.3 55.7 -20.5 -8.5 37 119 A E E - 0 0 12 -2,-0.3 2,-2.0 14,-0.2 -1,-0.2 0.932 61.5-169.3 57.9 60.9 56.5 -23.8 -6.8 38 120 A P E + 0 0 1 0, 0.0 13,-0.2 0, 0.0 2,-0.2 -0.499 18.3 174.1 -83.5 76.6 58.9 -25.5 -9.2 39 121 A F E -E 50 0C 1 -2,-2.0 11,-3.4 11,-0.8 2,-0.4 -0.540 21.5-136.6 -85.7 150.7 58.9 -28.9 -7.7 40 122 A I E +E 49 0C 0 9,-0.2 108,-0.4 -2,-0.2 2,-0.3 -0.825 22.8 171.8-108.2 142.7 60.7 -31.9 -9.2 41 123 A S E -E 48 0C 0 7,-2.1 7,-3.3 -2,-0.4 2,-0.4 -0.985 18.9-138.8-144.8 151.4 59.5 -35.5 -9.5 42 124 A b E -E 47 0C 15 283,-0.3 61,-0.4 -2,-0.3 5,-0.3 -0.917 8.7-163.7-122.9 135.9 61.0 -38.5 -11.3 43 125 A S - 0 0 7 3,-3.1 284,-0.0 -2,-0.4 63,-0.0 -0.605 47.5 -98.1 -95.7 167.9 59.7 -41.4 -13.5 44 126 A P S S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.593 126.5 39.5 -63.6 -7.2 61.9 -44.5 -14.2 45 127 A L S S- 0 0 169 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.738 125.9 -4.8-108.0 -35.3 62.8 -42.8 -17.5 46 128 A E - 0 0 68 2,-0.0 -3,-3.1 34,-0.0 2,-0.4 -0.920 57.6-115.9-151.5 171.0 63.2 -39.1 -16.6 47 129 A b E -E 42 0C 10 -2,-0.3 34,-1.5 -5,-0.3 2,-0.3 -0.982 33.7-162.8-117.6 135.0 63.0 -36.3 -14.0 48 130 A R E -EF 41 80C 9 -7,-3.3 -7,-2.1 -2,-0.4 2,-0.6 -0.849 17.9-133.8-120.9 150.4 60.5 -33.5 -14.5 49 131 A T E -EF 40 79C 3 30,-3.2 30,-2.5 -2,-0.3 2,-0.3 -0.916 22.6-165.3-101.9 116.0 59.9 -30.0 -13.2 50 132 A F E +EF 39 78C 0 -11,-3.4 -11,-0.8 -2,-0.6 2,-0.3 -0.742 15.9 166.9 -94.7 149.5 56.3 -29.2 -12.2 51 133 A F E - F 0 77C 2 26,-2.5 26,-2.2 -2,-0.3 2,-0.4 -0.982 32.1-119.1-156.5 161.7 55.1 -25.6 -11.5 52 134 A L E -EF 36 76C 1 -16,-2.9 -16,-2.0 -2,-0.3 2,-0.3 -0.903 30.6-179.7-109.2 140.3 52.1 -23.4 -11.1 53 135 A T E -EF 35 75C 1 22,-1.7 22,-2.0 -2,-0.4 -18,-0.2 -0.981 36.9-141.6-139.0 148.1 51.3 -20.5 -13.4 54 136 A Q E - 0 0 30 -20,-0.6 20,-0.1 -2,-0.3 3,-0.1 0.320 65.6 -99.2 -82.5 7.3 48.6 -17.8 -13.7 55 137 A G E S+ 0 0 1 -21,-0.3 2,-0.3 1,-0.3 -20,-0.1 0.910 87.6 122.9 70.2 46.0 48.8 -18.4 -17.5 56 138 A A E - 0 0 1 -22,-0.4 -22,-3.2 7,-0.1 2,-0.3 -0.980 52.5-137.3-138.9 149.1 51.1 -15.4 -18.0 57 139 A L E > -E 33 0C 0 -2,-0.3 3,-1.2 355,-0.3 6,-0.4 -0.766 33.2 -93.7-107.3 153.4 54.6 -14.8 -19.4 58 140 A L T 3 S+ 0 0 0 -26,-2.5 -26,-0.2 -2,-0.3 3,-0.1 -0.270 108.5 21.7 -62.9 147.6 57.4 -12.6 -18.1 59 141 A N T 3 S+ 0 0 26 1,-0.3 2,-0.3 -28,-0.1 -1,-0.2 0.622 101.2 114.2 64.1 16.3 57.7 -9.0 -19.4 60 142 A D S X S- 0 0 12 -3,-1.2 3,-1.6 1,-0.1 -1,-0.3 -0.857 78.1-118.4-112.6 152.8 54.0 -9.1 -20.4 61 143 A K G > S+ 0 0 51 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.764 109.6 65.5 -58.9 -29.2 51.2 -7.0 -18.8 62 144 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 350,-0.2 -4,-0.1 0.650 81.3 77.5 -72.0 -16.0 49.3 -10.1 -17.6 63 145 A S G < + 0 0 6 -3,-1.6 293,-0.3 -6,-0.4 -1,-0.3 0.508 64.9 129.1 -69.6 -4.8 52.2 -10.9 -15.2 64 146 A N X - 0 0 57 -3,-1.5 2,-1.3 1,-0.2 3,-0.9 -0.369 64.2-135.3 -52.4 117.3 50.6 -8.1 -13.1 65 147 A G T 3 S+ 0 0 35 289,-3.4 -1,-0.2 1,-0.2 290,-0.1 -0.041 76.1 109.8 -75.5 36.1 50.3 -9.7 -9.6 66 148 A T T 3 + 0 0 103 -2,-1.3 -1,-0.2 288,-0.1 2,-0.1 0.723 56.2 91.9 -79.3 -25.1 46.8 -8.3 -9.1 67 149 A I S < S- 0 0 52 -3,-0.9 4,-0.1 1,-0.1 2,-0.0 -0.442 82.1-113.7 -73.1 144.4 45.4 -11.9 -9.4 68 150 A K - 0 0 125 -2,-0.1 3,-0.4 1,-0.1 -1,-0.1 -0.289 21.2-113.4 -73.7 161.2 44.9 -13.9 -6.2 69 151 A D S S+ 0 0 101 1,-0.2 2,-1.0 -2,-0.0 -1,-0.1 0.898 112.5 50.6 -60.1 -43.1 46.8 -17.1 -5.5 70 152 A R S S+ 0 0 63 3,-0.0 -1,-0.2 44,-0.0 47,-0.1 -0.589 84.4 143.7-102.6 72.8 43.7 -19.3 -5.7 71 153 A S > - 0 0 1 -2,-1.0 3,-0.8 -3,-0.4 44,-0.1 -0.625 62.7-113.5-111.6 164.4 42.3 -18.2 -9.0 72 154 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.643 112.1 59.9 -69.4 -15.6 40.5 -19.9 -11.9 73 155 A Y T 3 S+ 0 0 35 22,-0.1 2,-0.2 2,-0.0 -20,-0.1 0.657 76.7 111.4 -88.1 -19.6 43.5 -19.3 -14.3 74 156 A R < - 0 0 16 -3,-0.8 22,-1.0 -20,-0.1 2,-0.3 -0.377 45.3-178.1 -67.4 128.4 46.1 -21.2 -12.3 75 157 A T E -FG 53 95C 3 -22,-2.0 -22,-1.7 20,-0.3 2,-0.5 -0.939 27.3-129.3-129.1 145.5 47.3 -24.4 -13.9 76 158 A L E +FG 52 94C 0 18,-4.0 17,-2.5 -2,-0.3 18,-1.8 -0.840 39.4 165.6 -90.3 129.3 49.7 -27.2 -13.0 77 159 A M E -FG 51 92C 8 -26,-2.2 -26,-2.5 -2,-0.5 2,-0.4 -0.944 21.6-147.4-142.0 161.2 52.3 -27.9 -15.8 78 160 A S E +FG 50 91C 0 13,-2.2 13,-3.3 -2,-0.3 -28,-0.2 -0.994 12.1 177.8-138.5 141.0 55.6 -29.7 -16.2 79 161 A C E -F 49 0C 1 -30,-2.5 -30,-3.2 -2,-0.4 11,-0.1 -0.905 46.1 -78.0-131.9 159.7 58.7 -29.3 -18.3 80 162 A P E > -F 48 0C 31 0, 0.0 3,-1.7 0, 0.0 -32,-0.2 -0.324 64.2 -90.2 -58.1 142.0 62.0 -31.3 -18.5 81 163 A I T 3 S+ 0 0 38 -34,-1.5 3,-0.1 1,-0.2 -34,-0.1 -0.249 110.5 16.1 -59.0 134.0 64.4 -30.5 -15.6 82 164 A G T 3 S+ 0 0 28 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.197 102.0 108.5 87.9 -16.7 66.8 -27.6 -16.2 83 165 A E S < S- 0 0 90 -3,-1.7 -1,-0.4 1,-0.1 -62,-0.1 -0.586 79.2 -98.4 -85.2 155.0 64.8 -26.3 -19.2 84 166 A V - 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