==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-AUG-10 3O9K . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/DUCK/UKRAINE/1/19 . AUTHOR R.J.RUSSELL,P.S.KERRY . 387 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 57.1 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 . 132 34.1 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 . 29 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 3 4 3 6 1 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 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 0 140 0, 0.0 153,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.2 -10.4 -11.0 22.3 2 84 A Y - 0 0 62 1,-0.1 2,-0.4 103,-0.1 103,-0.3 -0.169 360.0-105.5 -65.2 158.8 -12.9 -13.3 20.6 3 85 A M - 0 0 3 101,-2.8 150,-1.2 2,-0.0 2,-0.9 -0.719 19.1-145.8 -85.9 131.0 -16.1 -12.2 18.9 4 86 A N + 0 0 87 -2,-0.4 3,-0.3 148,-0.2 326,-0.2 -0.867 26.9 167.3 -90.6 100.8 -19.4 -12.8 20.7 5 87 A N + 0 0 8 -2,-0.9 199,-0.3 1,-0.2 197,-0.1 -0.372 40.5 111.9-108.7 55.0 -21.8 -13.5 17.8 6 88 A T + 0 0 48 -2,-0.2 -1,-0.2 197,-0.1 198,-0.2 0.548 48.9 105.1-101.2 -14.1 -24.5 -14.8 20.0 7 89 A E S S- 0 0 47 -3,-0.3 196,-1.4 196,-0.2 197,-0.6 0.052 77.5 -91.5 -63.0 172.6 -27.0 -11.9 19.5 8 90 A A - 0 0 44 328,-0.3 330,-2.8 194,-0.2 2,-0.3 -0.589 41.8-100.6 -84.4 149.8 -30.1 -12.0 17.3 9 91 A I B -a 338 0A 14 328,-0.2 330,-0.2 -2,-0.2 265,-0.2 -0.570 49.2-107.2 -63.6 126.3 -30.1 -11.0 13.7 10 92 A a - 0 0 5 328,-1.4 2,-1.0 -2,-0.3 -1,-0.1 -0.226 27.0-115.8 -55.0 147.1 -31.5 -7.4 13.5 11 93 A D - 0 0 92 262,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.763 42.3-168.3 -88.7 101.6 -35.1 -7.1 12.2 12 94 A A - 0 0 0 -2,-1.0 357,-0.2 1,-0.1 356,-0.1 -0.718 26.2-164.4-101.8 139.3 -34.5 -5.1 9.0 13 95 A K S S- 0 0 95 355,-1.1 2,-0.3 -2,-0.3 359,-0.2 0.666 74.0 -14.5 -87.2 -20.8 -37.1 -3.4 6.8 14 96 A G - 0 0 0 354,-1.2 2,-0.4 353,-0.5 356,-0.2 -0.963 68.7 -99.8-172.7 177.3 -34.9 -2.8 3.8 15 97 A F - 0 0 0 -2,-0.3 352,-0.2 357,-0.2 353,-0.1 -0.957 19.9-156.8-131.5 131.5 -31.3 -2.8 2.5 16 98 A A E -B 366 0B 26 350,-1.6 350,-2.4 -2,-0.4 2,-0.1 -0.772 35.2 -97.2-105.1 146.2 -28.9 0.1 1.9 17 99 A P E +B 365 0B 67 0, 0.0 348,-0.3 0, 0.0 3,-0.1 -0.416 37.6 178.8 -57.6 128.3 -25.9 -0.0 -0.5 18 100 A F E - 0 0 82 346,-4.8 2,-0.3 1,-0.4 347,-0.2 0.859 59.9 -21.9 -95.1 -59.3 -22.7 -0.8 1.4 19 101 A S E -B 364 0B 18 345,-0.9 345,-2.2 64,-0.0 -1,-0.4 -0.954 42.7-159.4-147.8 163.0 -20.2 -0.8 -1.4 20 102 A K E -B 363 0B 57 -2,-0.3 343,-0.2 343,-0.2 64,-0.1 -0.952 5.8-164.4-144.2 131.3 -19.6 -1.2 -5.2 21 103 A D - 0 0 10 341,-1.2 63,-0.2 -2,-0.3 342,-0.1 0.789 12.6-154.3 -90.1 -24.7 -16.2 -2.2 -6.5 22 104 A N > + 0 0 57 340,-0.5 4,-2.7 61,-0.1 5,-0.3 0.750 35.5 159.5 56.3 24.1 -16.6 -1.3 -10.2 23 105 A G H > + 0 0 2 1,-0.2 4,-2.4 2,-0.2 338,-0.1 0.823 63.8 43.2 -45.5 -48.7 -13.9 -3.9 -10.8 24 106 A I H 4 S+ 0 0 1 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.876 113.9 48.5 -75.8 -39.2 -14.6 -4.6 -14.4 25 107 A R H >4 S+ 0 0 133 354,-0.3 3,-1.2 -3,-0.2 4,-0.2 0.945 116.6 46.1 -57.8 -48.0 -15.1 -1.1 -15.6 26 108 A I H >X S+ 0 0 80 -4,-2.7 4,-2.1 1,-0.3 3,-1.6 0.886 105.9 59.3 -62.8 -41.2 -11.9 -0.2 -13.8 27 109 A G T 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 5,-0.3 0.470 79.4 87.3 -73.0 -2.0 -10.0 -3.2 -15.2 28 110 A S T <4 S+ 0 0 50 -3,-1.2 -1,-0.3 -4,-0.3 358,-0.2 0.770 118.1 3.8 -62.9 -26.3 -10.6 -2.0 -18.7 29 111 A R T <4 S+ 0 0 233 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.553 126.1 68.0-130.3 -26.2 -7.4 0.0 -18.3 30 112 A G S < S- 0 0 26 -4,-2.1 2,-1.0 1,-0.0 28,-0.1 -0.181 92.0 -91.2 -91.1-174.9 -6.1 -0.9 -14.8 31 113 A H + 0 0 90 26,-0.1 56,-2.2 -2,-0.1 2,-0.4 -0.740 58.3 156.4-107.9 88.4 -4.7 -4.1 -13.4 32 114 A I B -E 86 0C 4 -2,-1.0 26,-2.5 -5,-0.3 54,-0.2 -0.858 41.2-116.4-116.5 139.9 -7.6 -6.1 -12.0 33 115 A F E -F 57 0D 19 52,-2.6 2,-0.7 -2,-0.4 24,-0.2 -0.430 25.1-119.8 -68.0 150.3 -7.8 -9.8 -11.5 34 116 A V E + 0 0 12 22,-1.3 20,-0.9 325,-0.1 22,-0.3 -0.884 54.4 172.0 -86.4 117.1 -10.4 -11.8 -13.4 35 117 A I E -F 53 0D 4 -2,-0.7 2,-0.3 325,-0.2 18,-0.2 -0.585 31.8-157.3-122.3 176.6 -12.3 -13.2 -10.5 36 118 A R E S+F 52 0D 52 16,-1.1 16,-1.9 -2,-0.2 3,-0.2 -0.946 70.2 27.6-148.2 164.0 -15.4 -15.1 -9.4 37 119 A E - 0 0 13 -2,-0.3 2,-2.1 1,-0.2 -1,-0.2 0.930 60.3-165.6 48.2 66.7 -17.3 -15.3 -6.1 38 120 A P + 0 0 2 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 -0.424 23.9 173.2 -75.2 66.2 -16.6 -11.8 -4.6 39 121 A F - 0 0 0 -2,-2.1 11,-2.9 11,-0.4 2,-0.4 -0.297 20.3-138.0 -79.4 163.2 -17.9 -12.8 -1.1 40 122 A V E +G 49 0D 0 9,-0.2 108,-0.5 285,-0.1 2,-0.3 -0.938 23.3 166.3-127.1 136.2 -17.6 -10.6 2.0 41 123 A S E -G 48 0D 6 7,-1.8 7,-3.2 -2,-0.4 2,-0.4 -0.952 22.9-135.7-140.8 162.1 -16.7 -11.3 5.7 42 124 A b E -G 47 0D 7 -2,-0.3 61,-0.5 5,-0.3 5,-0.3 -0.956 6.6-158.9-126.9 135.0 -15.9 -8.9 8.5 43 125 A S - 0 0 5 3,-3.1 63,-0.0 -2,-0.4 65,-0.0 -0.405 52.2 -91.0 -88.8 178.9 -13.2 -8.8 11.3 44 126 A P S S+ 0 0 35 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.496 126.7 36.1 -70.9 5.7 -14.0 -6.7 14.3 45 127 A I S S+ 0 0 135 1,-0.4 2,-0.3 287,-0.0 -3,-0.0 0.663 124.3 1.5-128.1 -30.7 -12.2 -3.8 12.4 46 128 A E - 0 0 50 2,-0.0 -3,-3.1 34,-0.0 -1,-0.4 -0.983 59.7-123.2-157.7 158.2 -13.0 -4.0 8.7 47 129 A b E -G 42 0D 9 -2,-0.3 34,-2.3 -5,-0.3 2,-0.3 -0.831 29.2-159.7-104.2 149.7 -14.9 -6.0 6.2 48 130 A R E -GH 41 80D 6 -7,-3.2 -7,-1.8 -2,-0.3 2,-0.7 -0.937 17.6-131.3-130.0 152.7 -13.1 -7.6 3.2 49 131 A T E -GH 40 79D 7 30,-2.9 30,-1.8 -2,-0.3 -9,-0.2 -0.895 25.4-162.6 -98.3 110.5 -14.1 -8.9 -0.2 50 132 A F E + H 0 78D 0 -11,-2.9 -11,-0.4 -2,-0.7 2,-0.3 -0.594 15.5 170.5 -87.1 154.1 -12.6 -12.4 -0.8 51 133 A F E - H 0 77D 0 26,-2.0 26,-2.1 -2,-0.2 2,-0.4 -0.990 33.5-119.7-159.1 153.0 -12.4 -13.7 -4.3 52 134 A L E -FH 36 76D 1 -16,-1.9 -16,-1.1 -2,-0.3 2,-0.3 -0.825 31.7-168.9 -92.9 134.8 -10.9 -16.5 -6.4 53 135 A T E -FH 35 75D 1 22,-2.5 22,-1.7 -2,-0.4 -18,-0.2 -0.804 28.3-143.3-116.5 164.1 -8.5 -15.5 -9.2 54 136 A Q E - 0 0 31 -20,-0.9 20,-0.2 -2,-0.3 3,-0.1 0.155 57.0-103.6-103.6 13.8 -7.1 -17.5 -12.1 55 137 A G E S+ 0 0 53 1,-0.3 2,-0.2 -21,-0.2 19,-0.1 0.512 89.7 114.4 74.8 5.2 -3.8 -15.6 -11.7 56 138 A S E - 0 0 5 -22,-0.3 -22,-1.3 6,-0.1 2,-0.3 -0.581 59.0-131.8-107.0 169.8 -4.7 -13.6 -14.7 57 139 A L E > -F 33 0D 41 -24,-0.2 3,-0.7 -2,-0.2 6,-0.3 -0.887 31.8 -95.7-118.7 149.8 -5.6 -9.9 -15.4 58 140 A L T 3 S+ 0 0 8 -26,-2.5 -26,-0.2 -2,-0.3 3,-0.1 -0.337 109.2 23.5 -60.5 143.1 -8.4 -8.3 -17.3 59 141 A N T 3 S+ 0 0 43 1,-0.2 2,-0.3 328,-0.1 -1,-0.2 0.839 101.6 113.4 65.2 38.1 -7.6 -7.4 -20.9 60 142 A D S X S- 0 0 60 -3,-0.7 3,-2.7 327,-0.1 -1,-0.2 -0.987 79.5-115.0-139.3 147.8 -4.8 -10.0 -21.1 61 143 A K G > S+ 0 0 156 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.790 112.5 65.0 -51.3 -29.2 -4.3 -13.2 -23.1 62 144 A H G 3 S+ 0 0 114 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.617 84.3 71.1 -75.2 -10.7 -4.3 -15.2 -19.8 63 145 A S G < + 0 0 4 -3,-2.7 295,-0.4 -6,-0.3 -1,-0.3 0.436 64.5 127.7 -77.4 2.1 -8.0 -14.2 -19.2 64 146 A N < - 0 0 72 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.510 56.0-153.7 -41.4 -19.9 -8.6 -16.6 -22.1 65 147 A G S S+ 0 0 33 -3,-0.5 -1,-0.2 1,-0.2 292,-0.1 0.443 72.6 101.8 62.4 -1.4 -11.1 -18.5 -20.0 66 148 A T + 0 0 111 2,-0.1 -1,-0.2 290,-0.0 -2,-0.1 0.605 63.7 108.7 -76.8 -16.0 -10.7 -21.8 -21.8 67 149 A V S S- 0 0 54 -5,-0.1 2,-0.1 1,-0.1 4,-0.0 -0.249 81.7-101.2 -57.7 148.1 -8.7 -22.3 -18.6 68 150 A K > - 0 0 111 1,-0.1 3,-0.9 2,-0.1 -1,-0.1 -0.403 12.4-129.3 -82.0 148.2 -10.4 -24.7 -16.1 69 151 A D T 3 S+ 0 0 107 1,-0.3 2,-1.0 -2,-0.1 -1,-0.1 0.951 110.1 44.6 -54.3 -52.3 -12.4 -23.7 -13.0 70 152 A R T 3 S+ 0 0 74 3,-0.0 -1,-0.3 44,-0.0 47,-0.1 -0.326 88.7 151.6 -94.8 56.5 -10.3 -26.1 -10.8 71 153 A S X - 0 0 2 -2,-1.0 3,-1.0 -3,-0.9 44,-0.2 -0.312 60.2-113.9 -83.5 162.7 -6.9 -25.1 -12.2 72 154 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.731 115.3 56.7 -66.9 -17.6 -3.6 -25.2 -10.5 73 155 A F T 3 S+ 0 0 123 -19,-0.1 2,-0.2 22,-0.1 -20,-0.1 0.465 76.6 116.4 -92.2 -3.8 -3.4 -21.3 -10.7 74 156 A R < + 0 0 14 -3,-1.0 22,-0.7 -20,-0.2 2,-0.3 -0.464 42.1 172.1 -69.3 133.3 -6.7 -20.7 -8.9 75 157 A T E -HI 53 95D 24 -22,-1.7 -22,-2.5 20,-0.2 2,-0.5 -0.995 34.5-126.6-144.4 149.7 -6.2 -18.8 -5.6 76 158 A L E +HI 52 94D 0 18,-3.4 18,-2.5 -2,-0.3 17,-2.3 -0.839 40.6 156.2 -90.8 128.7 -8.2 -17.0 -2.8 77 159 A M E -HI 51 92D 26 -26,-2.1 -26,-2.0 -2,-0.5 2,-0.3 -0.786 21.4-147.3-135.1-175.6 -7.0 -13.4 -2.2 78 160 A S E -HI 50 91D 0 13,-1.7 13,-2.0 -2,-0.2 2,-0.3 -0.998 14.1-172.2-159.3 150.3 -8.8 -10.4 -0.7 79 161 A V E -H 49 0D 0 -30,-1.8 -30,-2.9 -2,-0.3 2,-0.1 -0.865 47.0 -75.4-131.9 171.3 -9.2 -6.6 -0.6 80 162 A E E > -H 48 0D 86 -2,-0.3 3,-2.5 -32,-0.3 -32,-0.3 -0.431 67.6 -85.0 -66.3 139.4 -11.0 -4.2 1.6 81 163 A V T 3 S+ 0 0 30 -34,-2.3 -1,-0.1 1,-0.3 3,-0.1 -0.206 117.0 19.8 -49.7 125.3 -14.8 -4.2 1.0 82 164 A G T 3 S+ 0 0 23 1,-0.4 -1,-0.3 -63,-0.1 2,-0.2 0.015 96.0 109.9 103.4 -28.4 -15.5 -1.9 -1.9 83 165 A Q S < S- 0 0 57 -3,-2.5 -1,-0.4 1,-0.1 -4,-0.1 -0.525 76.0-109.1 -75.6 149.6 -12.0 -1.8 -3.4 84 166 A S - 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