==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-07 3B7E . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.XU,X.ZHU,I.A.WILSON . 770 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 57.5 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 . 260 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 . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 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 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 . 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 . 2 0 2 6 6 16 4 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 8 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 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 90 0, 0.0 2,-0.5 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 112.6 -16.9 44.0 -28.1 2 84 A I - 0 0 71 103,-0.1 103,-0.3 104,-0.1 2,-0.2 -0.965 360.0-115.1 -98.2 136.4 -20.2 42.8 -26.6 3 85 A L - 0 0 3 101,-2.1 150,-1.2 -2,-0.5 151,-0.7 -0.496 21.1-152.4 -62.9 127.8 -22.3 41.0 -29.1 4 86 A T - 0 0 54 -2,-0.2 149,-0.2 148,-0.2 -1,-0.2 0.893 7.3-159.6 -74.7 -38.3 -25.4 43.1 -29.7 5 87 A G + 0 0 0 147,-0.2 199,-2.5 196,-0.1 200,-0.2 0.731 53.1 122.2 64.6 22.1 -27.7 40.2 -30.7 6 88 A N + 0 0 105 197,-0.2 2,-0.1 198,-0.1 -1,-0.1 0.548 42.3 97.2 -94.1 -7.5 -30.0 42.7 -32.3 7 89 A S - 0 0 13 196,-0.1 196,-3.0 1,-0.1 197,-0.3 -0.362 68.5-123.8 -82.5 160.6 -30.0 41.3 -35.9 8 90 A S - 0 0 63 326,-0.3 328,-2.8 194,-0.2 -1,-0.1 -0.573 43.6 -76.0 -94.8 163.7 -32.6 39.0 -37.4 9 91 A L B -a 336 0A 17 326,-0.2 328,-0.2 -2,-0.2 -1,-0.1 -0.320 53.2-108.7 -62.2 138.7 -31.9 35.6 -39.0 10 92 A a - 0 0 8 326,-2.5 2,-0.1 1,-0.1 -1,-0.1 -0.361 35.4-103.4 -62.5 145.1 -30.3 35.7 -42.5 11 93 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 356,-0.1 -0.494 51.4 179.5 -66.0 139.1 -32.5 34.7 -45.4 12 94 A I - 0 0 24 -2,-0.1 355,-0.3 355,-0.1 3,-0.1 -0.946 36.4-167.9-140.9 159.2 -31.5 31.2 -46.5 13 95 A S S S- 0 0 61 353,-3.0 2,-0.3 1,-0.3 354,-0.2 0.511 73.7 -26.9-118.9 -16.4 -32.3 28.5 -49.1 14 96 A G E S-B 366 0B 0 352,-1.8 352,-2.5 355,-0.1 2,-0.5 -0.948 70.1 -73.2-178.7-168.3 -30.4 25.6 -47.7 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.4 350,-0.2 2,-0.4 -0.956 27.7-158.8-124.7 123.0 -27.5 24.2 -45.7 16 98 A A E -B 364 0B 38 348,-2.7 348,-2.5 -2,-0.5 2,-0.2 -0.793 33.9-105.8 -98.2 136.3 -23.8 24.2 -46.7 17 99 A I E +B 363 0B 72 -2,-0.4 346,-0.3 346,-0.2 3,-0.1 -0.447 39.9 173.0 -68.8 131.3 -21.5 21.7 -45.0 18 100 A Y E - 0 0 112 344,-3.0 2,-0.3 1,-0.3 345,-0.2 0.792 56.1 -2.5-105.8 -46.2 -19.2 23.4 -42.5 19 101 A S E -B 362 0B 14 343,-1.7 343,-2.1 64,-0.0 -1,-0.3 -0.983 39.6-175.7-150.2 159.5 -17.4 20.7 -40.6 20 102 A K E -B 361 0B 51 -2,-0.3 341,-0.2 341,-0.2 -3,-0.0 -0.844 6.0-171.6-154.8 119.0 -16.9 16.9 -40.1 21 103 A D - 0 0 9 339,-1.9 63,-0.1 -2,-0.3 340,-0.1 0.664 16.1-152.8 -92.2 -16.0 -14.5 15.7 -37.4 22 104 A N > + 0 0 54 338,-0.5 4,-2.6 1,-0.1 5,-0.3 0.820 35.5 160.6 50.6 33.8 -14.4 11.9 -38.2 23 105 A G H > + 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.839 64.4 43.7 -61.4 -39.4 -13.6 11.5 -34.5 24 106 A I H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.916 113.3 50.7 -75.9 -42.6 -14.6 7.8 -34.1 25 107 A R H >4 S+ 0 0 122 352,-0.3 3,-0.8 1,-0.2 4,-0.4 0.939 115.8 43.6 -55.3 -47.0 -12.8 6.7 -37.3 26 108 A I H >X S+ 0 0 80 -4,-2.6 4,-2.8 1,-0.2 3,-1.7 0.903 106.7 61.3 -65.2 -39.8 -9.7 8.5 -36.1 27 109 A G H 3< S+ 0 0 0 -4,-2.1 5,-0.3 1,-0.3 -1,-0.2 0.547 83.0 78.9 -69.7 -9.1 -10.1 7.2 -32.6 28 110 A S T << S+ 0 0 54 -3,-0.8 -1,-0.3 -4,-0.8 356,-0.2 0.833 121.3 6.1 -58.2 -34.3 -9.7 3.6 -33.8 29 111 A K T <4 S+ 0 0 176 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.744 123.7 64.5-116.9 -49.9 -6.0 4.4 -33.9 30 112 A G S < S- 0 0 25 -4,-2.8 2,-1.0 -5,-0.1 28,-0.1 -0.102 94.2 -91.7 -76.3 176.4 -5.4 7.8 -32.4 31 113 A D + 0 0 27 26,-0.1 2,-0.4 -3,-0.0 57,-0.3 -0.789 61.3 159.6 -97.4 96.3 -5.9 9.0 -28.9 32 114 A V - 0 0 4 -2,-1.0 26,-2.6 -5,-0.3 54,-0.3 -0.966 39.2-111.8-125.5 132.9 -9.5 10.3 -29.0 33 115 A F E -E 57 0C 4 52,-2.7 2,-0.5 -2,-0.4 24,-0.3 -0.277 23.2-120.9 -58.3 142.3 -11.9 10.9 -26.0 34 116 A V E + 0 0 0 22,-2.7 20,-2.0 323,-0.1 22,-0.4 -0.796 55.2 162.9 -71.7 126.8 -15.0 8.8 -25.6 35 117 A I E -E 53 0C 5 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.827 28.1-178.7-134.9 172.0 -17.6 11.6 -25.7 36 118 A R E +E 52 0C 23 16,-1.4 16,-2.2 -2,-0.3 322,-0.1 -0.924 62.7 45.7-158.1 178.8 -21.2 12.4 -26.1 37 119 A E E + 0 0 8 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.928 69.6 177.5 53.0 54.3 -23.3 15.5 -26.2 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.441 2.5 173.5 -78.7 158.7 -21.1 17.6 -28.4 39 121 A F E -E 50 0C 2 11,-2.4 11,-3.4 -2,-0.1 2,-0.4 -0.960 24.5-127.3-160.0 155.7 -22.1 21.1 -29.5 40 122 A I E +E 49 0C 2 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.824 25.5 171.7-106.1 141.6 -20.6 24.1 -31.3 41 123 A S E -E 48 0C 0 7,-2.4 7,-2.9 -2,-0.4 2,-0.3 -0.982 13.1-152.9-145.7 149.7 -20.4 27.6 -30.1 42 124 A b E -E 47 0C 9 283,-0.4 61,-0.6 -2,-0.3 5,-0.2 -0.826 6.6-158.7-123.7 155.1 -18.6 30.7 -31.5 43 125 A S - 0 0 8 3,-2.9 284,-0.3 -2,-0.3 287,-0.1 -0.310 52.4 -84.7-103.0-165.3 -17.1 34.0 -30.3 44 126 A H S S+ 0 0 45 -2,-0.1 3,-0.1 1,-0.1 -42,-0.0 0.488 129.8 34.3 -74.6 -6.0 -16.5 37.1 -32.4 45 127 A L S S- 0 0 132 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.634 122.0 -1.2-121.9 -28.6 -13.2 35.5 -33.4 46 128 A E - 0 0 84 2,-0.0 -3,-2.9 34,-0.0 2,-0.4 -0.985 55.8-117.0-161.7 167.6 -13.5 31.6 -33.7 47 129 A b E -E 42 0C 15 -2,-0.3 34,-1.2 -5,-0.2 2,-0.3 -0.928 27.6-170.2-117.2 142.0 -15.7 28.6 -33.4 48 130 A R E -EF 41 80C 20 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.5 -0.946 20.7-132.0-130.0 149.3 -15.2 25.7 -30.9 49 131 A T E -EF 40 79C 4 30,-3.0 30,-2.3 -2,-0.3 2,-0.3 -0.914 23.5-164.8 -98.1 125.0 -16.6 22.3 -30.4 50 132 A F E +EF 39 78C 0 -11,-3.4 -11,-2.4 -2,-0.5 2,-0.3 -0.738 15.5 167.6 -99.7 154.5 -17.6 21.6 -26.7 51 133 A F E - F 0 77C 1 26,-2.0 26,-2.2 -2,-0.3 2,-0.7 -0.985 38.5-114.7-164.9 156.0 -18.3 18.0 -25.5 52 134 A L E -EF 36 76C 1 -16,-2.2 -16,-1.4 -2,-0.3 24,-0.2 -0.880 34.7-156.9 -99.0 109.1 -18.8 15.8 -22.5 53 135 A T E -E 35 0C 0 22,-3.1 22,-0.4 -2,-0.7 -18,-0.3 -0.316 19.6-137.5 -71.0 165.6 -15.9 13.3 -22.2 54 136 A Q E - 0 0 10 -20,-2.0 20,-0.2 2,-0.4 -19,-0.1 0.073 49.5-107.2-101.8 17.3 -16.3 10.1 -20.3 55 137 A G E S+ 0 0 0 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.818 93.7 84.4 63.0 33.4 -12.8 10.6 -18.8 56 138 A A E S- 0 0 0 -22,-0.4 -22,-2.7 356,-0.1 -2,-0.4 -0.962 72.9-118.1-160.9 157.9 -11.5 7.8 -21.1 57 139 A L E -E 33 0C 0 354,-0.3 3,-0.4 -24,-0.3 -24,-0.2 -0.730 34.7 -97.3-104.7 157.8 -10.3 7.2 -24.6 58 140 A L S S+ 0 0 0 -26,-2.6 -26,-0.2 -2,-0.3 3,-0.1 -0.326 103.8 30.2 -66.1 151.3 -11.6 5.0 -27.4 59 141 A N S S+ 0 0 20 1,-0.3 2,-0.3 -28,-0.1 -1,-0.2 0.894 101.1 104.6 63.0 44.3 -10.2 1.5 -28.0 60 142 A D S > S- 0 0 8 -3,-0.4 3,-2.0 325,-0.0 -1,-0.3 -0.984 83.2-113.0-150.6 150.2 -9.4 1.1 -24.3 61 143 A K G > S+ 0 0 70 -2,-0.3 3,-1.8 1,-0.3 -2,-0.1 0.758 110.1 69.6 -62.4 -23.8 -10.9 -0.8 -21.4 62 144 A H G 3 S+ 0 0 1 1,-0.3 -1,-0.3 349,-0.2 -4,-0.1 0.605 83.6 72.7 -71.4 -9.7 -12.0 2.4 -19.7 63 145 A S G X S+ 0 0 0 -3,-2.0 3,-1.6 -6,-0.2 293,-0.3 0.568 73.3 119.3 -73.3 -9.1 -14.6 2.9 -22.5 64 146 A N T < S+ 0 0 95 -3,-1.8 291,-0.2 1,-0.2 290,-0.1 -0.349 78.8 9.7 -60.2 132.4 -16.5 0.1 -20.9 65 147 A G T > S+ 0 0 40 289,-2.1 3,-2.2 1,-0.1 -1,-0.2 0.525 79.9 140.6 83.4 8.4 -20.0 1.1 -19.7 66 148 A T T < + 0 0 8 -3,-1.6 289,-0.1 288,-0.5 -2,-0.1 0.472 51.9 83.2 -74.9 2.8 -20.0 4.5 -21.4 67 149 A V T 3 S+ 0 0 71 287,-0.4 -1,-0.3 282,-0.0 288,-0.1 0.798 72.7 103.8 -60.8 -26.5 -23.6 4.2 -22.5 68 150 A K < - 0 0 131 -3,-2.2 288,-0.1 1,-0.1 3,-0.1 -0.310 68.3-148.0 -63.8 136.8 -24.1 5.5 -18.9 69 151 A D + 0 0 78 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.800 69.5 36.7 -77.5 -36.4 -25.1 9.1 -18.7 70 152 A R + 0 0 60 -16,-0.0 -1,-0.1 3,-0.0 44,-0.1 -0.974 58.4 137.9-133.5 135.4 -23.6 10.4 -15.5 71 153 A S > - 0 0 18 -2,-0.4 3,-0.7 -3,-0.1 44,-0.1 -0.964 58.5-104.6-160.8 164.6 -20.4 9.8 -13.5 72 154 A P T 3 S+ 0 0 22 0, 0.0 -17,-0.0 0, 0.0 24,-0.0 0.555 114.2 62.7 -71.5 -6.1 -17.7 11.7 -11.6 73 155 A Y T 3 S+ 0 0 45 -19,-0.1 2,-0.1 22,-0.1 -20,-0.1 0.640 75.0 107.2 -95.5 -16.8 -15.3 11.3 -14.5 74 156 A R < - 0 0 1 -3,-0.7 22,-1.6 -20,-0.2 2,-0.4 -0.415 47.8-176.7 -71.3 135.3 -17.2 13.2 -17.2 75 157 A T E - G 0 95C 2 -22,-0.4 -22,-3.1 20,-0.3 2,-0.5 -0.991 29.0-125.2-134.8 142.3 -15.8 16.5 -18.1 76 158 A L E +FG 52 94C 0 18,-2.5 17,-2.4 -2,-0.4 18,-1.8 -0.764 44.3 161.9 -80.3 121.8 -16.7 19.4 -20.3 77 159 A M E -FG 51 92C 6 -26,-2.2 -26,-2.0 -2,-0.5 2,-0.3 -0.858 21.9-148.3-134.4 170.0 -13.8 20.1 -22.7 78 160 A S E +FG 50 91C 0 13,-2.2 13,-2.8 -2,-0.3 -28,-0.2 -0.990 13.7 174.5-143.7 153.7 -13.4 21.9 -26.0 79 161 A C E -F 49 0C 1 -30,-2.3 -30,-3.0 -2,-0.3 11,-0.1 -0.917 46.4 -69.9-145.5 168.9 -11.4 21.8 -29.2 80 162 A P E > -F 48 0C 38 0, 0.0 3,-1.8 0, 0.0 -32,-0.2 -0.355 64.8 -89.3 -63.2 146.8 -11.3 23.6 -32.5 81 163 A V T 3 S+ 0 0 33 -34,-1.2 3,-0.1 1,-0.2 -34,-0.1 -0.288 111.1 17.9 -56.2 132.4 -14.2 22.9 -34.9 82 164 A G T 3 S+ 0 0 28 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.347 97.4 114.9 89.5 -5.0 -13.6 19.9 -37.2 83 165 A E S < S- 0 0 87 -3,-1.8 -1,-0.3 6,-0.1 -62,-0.1 -0.720 74.7-106.2 -96.5 146.4 -10.8 18.3 -35.1 84 166 A A - 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