==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4B7R . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/CALIFORNIA/07/200 . AUTHOR J.LIU,E.VAN DER VRIES,S.G.VACHIERI,X.XIONG,P.J.COLLINS,P.A.W . 1548 4 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 900 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 522 33.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 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 . 94 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 2.5 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 4 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 RESIDUES PER ALPHA HELIX . 7 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 4 12 10 34 8 0 4 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 17 7 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 0 137 0, 0.0 3,-0.1 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 140.9 0.5 22.5 -15.4 2 84 A K - 0 0 91 1,-0.1 2,-0.4 151,-0.1 103,-0.3 -0.174 360.0-109.7 -48.7 138.9 2.0 25.1 -17.9 3 85 A L - 0 0 4 101,-2.6 150,-1.5 1,-0.2 151,-0.7 -0.633 23.1-150.3 -72.4 126.2 5.7 26.0 -17.3 4 86 A A - 0 0 34 -2,-0.4 149,-0.6 148,-0.2 -1,-0.2 0.950 11.6-169.9 -64.1 -51.3 5.8 29.5 -16.0 5 87 A G + 0 0 2 147,-0.2 199,-2.5 196,-0.1 197,-0.2 0.694 50.6 114.3 66.8 20.6 9.2 30.4 -17.4 6 88 A N + 0 0 106 197,-0.2 2,-0.1 198,-0.1 -1,-0.1 0.512 47.0 87.1-104.7 -5.6 9.3 33.6 -15.4 7 89 A S S S- 0 0 26 1,-0.1 196,-2.9 196,-0.1 197,-0.4 -0.415 80.5-105.5 -85.1 170.2 12.2 33.0 -13.0 8 90 A S - 0 0 61 326,-0.3 328,-2.5 194,-0.2 2,-0.2 -0.434 41.2 -81.5 -90.9 169.3 15.7 33.9 -13.9 9 91 A L B -a 336 0A 6 326,-0.2 328,-0.2 261,-0.1 -1,-0.1 -0.501 50.2-109.5 -65.4 134.7 18.6 31.6 -14.8 10 92 A a - 0 0 10 326,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.459 32.7-117.8 -61.3 130.9 20.4 30.0 -11.8 11 93 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.554 38.9-166.5 -66.6 139.5 23.8 31.5 -11.4 12 94 A V - 0 0 14 -2,-0.2 355,-0.2 1,-0.1 3,-0.1 -0.979 29.0-169.4-135.5 146.4 26.3 28.6 -11.8 13 95 A S S S- 0 0 52 353,-2.4 2,-0.3 -2,-0.3 354,-0.2 0.541 74.8 -6.3-109.0 -11.1 30.0 28.3 -11.1 14 96 A G E -B 366 0B 0 352,-1.5 352,-2.6 355,-0.1 2,-0.5 -0.974 69.0 -99.2-171.8 177.7 30.7 25.0 -12.9 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.4 350,-0.2 2,-0.4 -0.951 22.5-156.9-125.1 124.6 29.2 22.1 -14.8 16 98 A A E -B 364 0B 3 348,-2.9 348,-2.5 -2,-0.5 2,-0.1 -0.814 32.6-105.8-100.2 136.3 28.4 18.6 -13.3 17 99 A I E +B 363 0B 8 -2,-0.4 346,-0.3 346,-0.2 466,-0.3 -0.407 40.6 172.7 -67.3 135.1 28.3 15.6 -15.6 18 100 A Y E - 0 0 10 344,-3.4 2,-0.3 1,-0.4 345,-0.2 0.805 54.9 -2.3-111.4 -48.7 24.7 14.5 -16.1 19 101 A S E -B 362 0B 1 343,-1.6 343,-2.2 463,-0.1 -1,-0.4 -0.986 41.1-177.6-148.8 157.0 24.6 11.8 -18.8 20 102 A K E -B 361 0B 1 -2,-0.3 341,-0.2 341,-0.2 462,-0.1 -0.888 5.3-171.3-151.5 128.0 26.7 9.8 -21.3 21 103 A D - 0 0 9 339,-1.7 5,-0.1 -2,-0.3 63,-0.1 0.693 17.0-151.2 -97.8 -20.2 25.2 7.3 -23.7 22 104 A N > + 0 0 4 338,-0.5 4,-2.4 1,-0.1 5,-0.3 0.817 36.0 160.3 55.4 32.9 28.2 5.6 -25.3 23 105 A S H > + 0 0 2 1,-0.2 4,-2.5 2,-0.2 336,-0.1 0.851 64.7 45.2 -58.5 -45.6 26.0 5.0 -28.3 24 106 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.927 113.5 50.1 -70.2 -43.0 28.7 4.3 -30.9 25 107 A R H >4 S+ 0 0 21 352,-0.3 3,-0.7 1,-0.2 420,-0.3 0.926 116.4 42.3 -54.3 -48.2 30.7 2.0 -28.7 26 108 A I H >X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 3,-1.6 0.867 106.9 62.8 -68.8 -36.2 27.5 0.0 -27.9 27 109 A G H 3< S+ 0 0 0 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.602 80.3 81.7 -69.9 -12.5 26.4 0.1 -31.5 28 110 A S T << S+ 0 0 8 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.847 121.6 1.8 -56.9 -34.0 29.4 -1.8 -32.6 29 111 A K T <4 S+ 0 0 40 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.685 123.0 70.6-119.3 -44.4 27.4 -4.9 -31.5 30 112 A G S < S- 0 0 0 -4,-2.8 2,-1.1 -5,-0.1 28,-0.1 -0.149 93.1 -93.3 -76.7 172.5 24.0 -3.8 -30.3 31 113 A D + 0 0 9 26,-0.1 2,-0.4 1162,-0.0 57,-0.4 -0.737 61.0 157.5 -91.7 95.3 21.2 -2.4 -32.5 32 114 A V - 0 0 0 -2,-1.1 26,-2.7 -5,-0.3 54,-0.2 -0.971 40.6-114.4-125.2 132.9 21.7 1.3 -32.3 33 115 A F E -E 57 0C 4 52,-2.8 2,-0.5 -2,-0.4 24,-0.3 -0.346 24.9-118.0 -61.2 141.5 20.4 3.9 -34.9 34 116 A V E + 0 0 0 22,-2.8 20,-1.5 323,-0.1 22,-0.4 -0.740 54.9 167.6 -67.4 124.8 22.9 5.8 -37.0 35 117 A I E +E 53 0C 4 -2,-0.5 323,-0.9 18,-0.2 2,-0.3 -0.945 27.0 178.3-139.7 160.4 22.1 9.4 -35.8 36 118 A R E +E 52 0C 27 16,-1.7 16,-2.1 -2,-0.3 322,-0.0 -0.916 63.1 44.2-146.4 179.9 23.2 12.9 -35.8 37 119 A E E S+ 0 0 9 -2,-0.3 -1,-0.1 14,-0.2 2,-0.1 0.907 70.6 177.1 52.5 51.3 21.9 16.2 -34.5 38 120 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.447 2.0 171.8 -78.3 159.7 20.9 14.9 -31.0 39 121 A F E -E 50 0C 2 11,-2.6 11,-3.5 -2,-0.1 2,-0.4 -0.976 24.9-124.7-158.4 164.0 19.5 17.2 -28.4 40 122 A I E +E 49 0C 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.894 24.1 172.4-115.0 142.8 17.9 17.1 -24.9 41 123 A S E -E 48 0C 1 7,-2.2 7,-3.0 -2,-0.4 2,-0.3 -0.991 16.1-146.2-145.3 148.1 14.6 18.5 -23.7 42 124 A b E -E 47 0C 10 283,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.841 6.6-163.0-117.6 148.4 12.8 18.1 -20.4 43 125 A S - 0 0 10 3,-3.0 284,-0.2 -2,-0.3 63,-0.0 -0.433 51.4 -89.9-103.1-173.8 9.1 17.9 -19.4 44 126 A P S S+ 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.550 128.1 34.5 -74.9 -0.9 8.1 18.4 -15.8 45 127 A L S S+ 0 0 159 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.602 122.8 9.6-123.1 -22.6 8.5 14.7 -15.3 46 128 A E - 0 0 67 2,-0.0 -3,-3.0 34,-0.0 2,-0.4 -0.999 55.3-127.3-157.4 156.0 11.4 13.5 -17.5 47 129 A b E -E 42 0C 10 -2,-0.3 34,-1.9 -5,-0.3 2,-0.3 -0.920 30.7-169.1-104.8 135.9 14.4 14.5 -19.7 48 130 A R E -EF 41 80C 17 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.6 -0.905 20.4-133.0-122.8 151.1 14.6 12.9 -23.1 49 131 A T E -EF 40 79C 4 30,-3.1 30,-2.2 -2,-0.3 2,-0.3 -0.920 23.4-163.4 -99.0 123.9 17.2 12.8 -25.8 50 132 A F E +EF 39 78C 0 -11,-3.5 -11,-2.6 -2,-0.6 2,-0.3 -0.757 15.4 168.6-100.5 152.5 15.8 13.6 -29.3 51 133 A F E - F 0 77C 1 26,-2.1 26,-2.1 -2,-0.3 2,-0.7 -0.993 37.8-116.7-160.3 157.9 17.8 12.7 -32.4 52 134 A L E -EF 36 76C 1 -16,-2.1 -16,-1.7 -2,-0.3 24,-0.2 -0.894 34.5-158.3-101.4 108.4 17.6 12.5 -36.2 53 135 A T E -E 35 0C 0 22,-2.6 22,-0.4 -2,-0.7 -18,-0.2 -0.267 19.7-138.8 -72.7 168.9 18.0 8.9 -37.3 54 136 A Q E - 0 0 10 -20,-1.5 20,-0.2 2,-0.4 -19,-0.1 0.098 49.5-106.4-108.7 17.4 19.1 7.9 -40.8 55 137 A G E S+ 0 0 0 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.851 92.9 91.2 60.3 33.8 16.6 5.0 -40.9 56 138 A A E S- 0 0 0 -22,-0.4 -22,-2.8 7,-0.1 -2,-0.4 -0.980 71.2-119.4-154.0 159.5 19.6 2.6 -40.4 57 139 A L E > -E 33 0C 0 1132,-0.3 3,-1.3 -2,-0.3 6,-0.3 -0.766 36.5 -96.9-104.8 151.1 21.6 0.9 -37.8 58 140 A L T 3 S+ 0 0 0 -26,-2.7 -26,-0.2 -2,-0.3 3,-0.1 -0.343 108.0 22.0 -59.2 144.1 25.3 1.1 -37.0 59 141 A N T 3 S+ 0 0 23 1,-0.3 2,-0.3 -28,-0.1 -1,-0.2 0.649 100.9 111.1 67.3 18.9 27.5 -1.6 -38.5 60 142 A D S X S- 0 0 12 -3,-1.3 3,-2.1 1,-0.1 -1,-0.3 -0.891 80.1-115.6-115.7 154.9 24.9 -2.4 -41.2 61 143 A K G > S+ 0 0 69 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.761 110.2 69.2 -60.1 -26.2 25.2 -1.7 -44.9 62 144 A H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 1127,-0.2 -4,-0.1 0.610 84.6 71.1 -72.3 -5.6 22.3 0.8 -44.8 63 145 A S G X S+ 0 0 0 -3,-2.1 3,-1.5 -6,-0.3 293,-0.3 0.543 73.3 119.1 -79.3 -7.8 24.6 3.1 -42.8 64 146 A N T < S+ 0 0 109 -3,-1.8 291,-0.2 1,-0.2 290,-0.0 -0.394 79.1 11.1 -59.9 127.4 26.5 3.6 -46.1 65 147 A G T > S+ 0 0 37 289,-2.3 3,-2.2 -2,-0.1 -1,-0.2 0.581 77.3 143.6 84.2 12.5 26.5 7.2 -47.2 66 148 A T T < + 0 0 8 -3,-1.5 289,-0.1 288,-0.6 -2,-0.1 0.386 51.5 86.8 -75.5 6.9 25.1 8.7 -44.0 67 149 A I T 3 S+ 0 0 82 287,-0.3 -1,-0.3 282,-0.0 2,-0.1 0.739 70.1 104.4 -60.9 -23.9 27.4 11.8 -44.3 68 150 A K < - 0 0 131 -3,-2.2 288,-0.1 1,-0.1 3,-0.1 -0.400 63.8-156.3 -68.0 130.7 24.3 12.8 -46.4 69 151 A D + 0 0 77 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.851 67.3 37.0 -80.2 -39.3 22.2 15.4 -44.5 70 152 A R + 0 0 67 3,-0.0 -1,-0.2 44,-0.0 47,-0.1 -0.967 61.6 134.9-127.7 133.2 18.7 15.1 -46.0 71 153 A S > - 0 0 13 -2,-0.4 3,-0.8 -3,-0.1 44,-0.1 -0.956 61.7-103.5-160.1 165.8 16.8 12.1 -47.3 72 154 A P T 3 S+ 0 0 19 0, 0.0 -18,-0.0 0, 0.0 24,-0.0 0.541 113.4 66.2 -76.2 -1.2 13.2 10.8 -47.0 73 155 A Y T 3 S+ 0 0 43 -19,-0.1 2,-0.1 22,-0.1 -20,-0.1 0.646 73.7 105.7 -91.8 -16.8 14.5 8.1 -44.5 74 156 A R < - 0 0 2 -3,-0.8 22,-1.5 -20,-0.2 2,-0.4 -0.410 47.6-179.2 -70.6 134.6 15.5 10.5 -41.7 75 157 A T E - G 0 95C 3 -22,-0.4 -22,-2.6 20,-0.3 2,-0.5 -0.985 28.7-125.5-132.4 146.0 13.1 10.5 -38.7 76 158 A L E +FG 52 94C 0 18,-3.2 17,-2.4 -2,-0.4 18,-1.9 -0.801 42.8 161.3 -84.5 127.6 13.0 12.4 -35.4 77 159 A M E -FG 51 92C 7 -26,-2.1 -26,-2.1 -2,-0.5 2,-0.3 -0.864 20.7-151.3-137.0 169.7 12.8 10.0 -32.5 78 160 A S E +FG 50 91C 0 13,-2.1 13,-3.2 -2,-0.3 -28,-0.2 -0.987 11.2 179.3-143.8 157.7 13.5 10.2 -28.8 79 161 A C E -F 49 0C 1 -30,-2.2 -30,-3.1 -2,-0.3 11,-0.1 -0.940 47.2 -71.6-144.9 167.4 14.5 8.0 -25.9 80 162 A P E > -F 48 0C 34 0, 0.0 3,-1.8 0, 0.0 -32,-0.2 -0.344 68.6 -86.0 -59.2 143.9 15.2 8.5 -22.2 81 163 A I T 3 S+ 0 0 23 -34,-1.9 399,-0.3 1,-0.2 3,-0.1 -0.173 111.7 17.7 -53.5 138.6 18.3 10.5 -21.5 82 164 A G T 3 S+ 0 0 4 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.317 97.7 112.9 83.6 -9.0 21.6 8.5 -21.3 83 165 A E S < S- 0 0 28 -3,-1.8 -1,-0.3 397,-0.1 -62,-0.1 -0.686 76.5-101.4 -91.7 151.7 20.1 5.5 -23.0 84 166 A V - 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