==== 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 20-AUG-12 4B7J . 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 . 387 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 33.1 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 . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 1 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 . 1 0 1 3 4 7 2 0 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 V 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.9 42.5 -2.0 45.8 2 84 A K - 0 0 102 1,-0.1 103,-0.3 103,-0.1 2,-0.1 -0.381 360.0-101.9 -70.8 141.0 39.3 -3.1 44.1 3 85 A L - 0 0 8 101,-1.7 150,-1.0 1,-0.1 151,-0.7 -0.381 24.1-150.7 -59.3 133.6 37.0 -0.6 42.4 4 86 A A - 0 0 33 148,-0.2 149,-0.2 149,-0.2 -1,-0.1 0.917 12.8-169.5 -74.8 -44.4 34.0 0.2 44.6 5 87 A G + 0 0 2 147,-0.2 199,-2.7 1,-0.1 200,-0.2 0.634 50.0 114.4 65.7 16.7 31.6 1.0 41.8 6 88 A N + 0 0 101 197,-0.3 2,-0.1 198,-0.1 -1,-0.1 0.542 46.8 89.6-100.2 -8.4 29.0 2.4 44.2 7 89 A S S S- 0 0 23 196,-0.1 196,-2.6 1,-0.1 197,-0.3 -0.451 77.6-112.9 -81.7 161.5 28.9 6.1 43.2 8 90 A S - 0 0 64 326,-0.3 328,-2.2 194,-0.2 -1,-0.1 -0.409 42.5 -75.7 -89.1 169.6 26.5 7.4 40.6 9 91 A L B -a 336 0A 9 326,-0.2 328,-0.2 261,-0.2 -1,-0.2 -0.347 52.5-108.5 -60.1 143.2 27.4 8.8 37.1 10 92 A a - 0 0 10 326,-2.1 -1,-0.1 1,-0.1 2,-0.1 -0.499 37.9-102.0 -68.5 140.6 28.8 12.3 37.1 11 93 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.426 44.4-162.0 -59.6 141.3 26.4 15.0 35.7 12 94 A V + 0 0 18 1,-0.1 355,-0.2 355,-0.1 3,-0.1 -0.994 29.0 172.2-137.6 128.5 27.5 15.8 32.2 13 95 A S S S- 0 0 47 353,-2.1 2,-0.3 -2,-0.4 354,-0.2 0.564 72.8 -6.8-107.5 -14.0 26.6 18.8 30.0 14 96 A G E -B 366 0B 0 352,-1.6 352,-2.5 355,-0.1 2,-0.5 -0.978 68.0-101.0-170.4 174.4 29.0 18.1 27.1 15 97 A W E -B 365 0B 3 -2,-0.3 356,-0.5 350,-0.2 2,-0.4 -0.948 21.5-157.5-122.9 122.5 31.8 15.9 25.7 16 98 A A E -B 364 0B 37 348,-2.7 348,-2.6 -2,-0.5 354,-0.1 -0.800 32.4-108.0 -95.8 133.8 35.5 16.9 25.5 17 99 A I E +B 363 0B 70 -2,-0.4 346,-0.3 346,-0.2 3,-0.1 -0.359 37.8 177.6 -63.0 136.6 37.7 15.1 23.0 18 100 A Y E - 0 0 103 344,-4.5 2,-0.3 1,-0.4 345,-0.2 0.773 54.3 -11.2-111.9 -42.9 40.0 12.6 24.8 19 101 A S E -B 362 0B 16 343,-1.7 343,-2.1 63,-0.0 -1,-0.4 -0.980 40.5-174.5-155.9 166.4 41.9 10.9 22.1 20 102 A K E -B 361 0B 49 -2,-0.3 341,-0.2 341,-0.2 -3,-0.0 -0.837 5.3-169.5-163.5 128.8 42.4 10.2 18.4 21 103 A D - 0 0 9 339,-1.5 5,-0.1 -2,-0.3 340,-0.1 0.651 21.1-145.4-101.2 -16.9 45.0 7.7 17.0 22 104 A N > + 0 0 52 338,-0.4 4,-2.1 3,-0.1 5,-0.2 0.871 36.7 163.8 53.6 40.4 44.9 8.5 13.2 23 105 A S H > + 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.913 65.6 44.0 -58.2 -53.9 45.5 4.8 12.6 24 106 A I H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.925 113.3 51.8 -62.0 -45.6 44.5 4.4 8.9 25 107 A R H >4 S+ 0 0 138 352,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.911 117.2 39.4 -54.5 -46.6 46.4 7.6 7.9 26 108 A I H >X S+ 0 0 82 -4,-2.1 4,-2.9 1,-0.2 3,-2.0 0.869 107.6 61.9 -74.4 -39.2 49.6 6.4 9.6 27 109 A G H 3< S+ 0 0 1 -4,-3.3 5,-0.2 1,-0.3 -1,-0.2 0.606 81.3 84.7 -63.4 -11.2 49.2 2.8 8.5 28 110 A S T << S- 0 0 53 -4,-0.7 -1,-0.3 -3,-0.5 356,-0.2 0.832 121.9 -3.0 -59.4 -29.9 49.4 4.1 5.0 29 111 A K T <4 S+ 0 0 192 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.619 122.6 77.3-124.3 -47.7 53.2 3.9 5.6 30 112 A G S < S- 0 0 28 -4,-2.9 2,-1.2 1,-0.1 28,-0.1 0.040 92.1 -93.9 -64.2 173.6 53.7 2.7 9.2 31 113 A D + 0 0 67 26,-0.1 2,-0.4 -3,-0.0 57,-0.4 -0.724 62.6 159.2 -93.3 87.9 53.4 -0.8 10.5 32 114 A V - 0 0 2 -2,-1.2 26,-2.7 -5,-0.2 54,-0.2 -0.934 40.2-114.1-119.8 131.8 49.8 -0.7 11.8 33 115 A F E -E 57 0C 24 52,-2.7 2,-0.5 -2,-0.4 24,-0.3 -0.305 23.6-121.9 -59.6 137.5 47.5 -3.6 12.4 34 116 A V E + 0 0 0 22,-2.9 20,-1.3 323,-0.1 22,-0.4 -0.730 53.9 165.2 -69.5 127.8 44.4 -4.1 10.3 35 117 A I E -E 53 0C 4 -2,-0.5 323,-0.8 18,-0.2 2,-0.3 -0.902 27.9-176.1-141.8 168.9 41.7 -4.0 13.0 36 118 A R E +E 52 0C 26 16,-1.3 16,-1.8 -2,-0.3 321,-0.0 -0.947 63.7 36.6-156.6 178.0 38.0 -3.6 13.8 37 119 A E E S+ 0 0 9 -2,-0.3 -1,-0.2 14,-0.2 2,-0.2 0.921 72.5 177.4 34.4 66.7 35.7 -3.5 16.8 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.491 3.0 176.3 -83.1 163.0 38.2 -1.4 19.0 39 121 A F E -E 50 0C 3 11,-2.5 11,-3.8 -2,-0.2 2,-0.4 -0.978 22.7-122.5-163.5 162.9 37.2 -0.3 22.5 40 122 A I E +E 49 0C 2 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.862 25.2 169.2-115.8 142.7 38.7 1.5 25.5 41 123 A S E -E 48 0C 2 7,-2.1 7,-2.9 -2,-0.4 2,-0.4 -0.986 19.5-139.1-149.6 151.9 39.0 0.4 29.1 42 124 A b E -E 47 0C 15 283,-0.3 61,-0.5 -2,-0.3 5,-0.3 -0.904 6.1-160.8-121.6 136.1 40.8 1.9 32.1 43 125 A S - 0 0 12 3,-3.1 284,-0.1 -2,-0.4 63,-0.0 -0.535 50.0 -93.3 -93.7 172.7 42.9 0.5 34.9 44 126 A P S S+ 0 0 36 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.557 127.2 36.3 -64.8 -3.6 43.5 2.6 38.1 45 127 A L S S+ 0 0 160 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.668 124.0 1.0-119.7 -30.2 46.7 3.7 36.4 46 128 A E - 0 0 73 2,-0.0 -3,-3.1 34,-0.0 2,-0.5 -0.959 58.0-117.4-154.3 171.4 46.1 4.1 32.7 47 129 A b E -E 42 0C 9 -2,-0.3 34,-2.1 -5,-0.3 2,-0.3 -0.973 32.0-168.2-118.8 128.4 43.6 3.8 29.8 48 130 A R E -EF 41 80C 10 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.6 -0.816 19.5-129.8-118.0 155.1 44.2 1.3 27.0 49 131 A T E -EF 40 79C 5 30,-3.2 30,-1.9 -2,-0.3 2,-0.3 -0.912 22.3-162.2-101.3 123.6 42.7 0.6 23.6 50 132 A F E +EF 39 78C 0 -11,-3.8 -11,-2.5 -2,-0.6 2,-0.3 -0.754 17.1 165.7-100.0 152.4 41.7 -2.9 22.9 51 133 A F E - F 0 77C 0 26,-2.1 26,-2.5 -2,-0.3 2,-0.7 -0.989 37.9-117.2-161.4 155.5 41.1 -4.2 19.4 52 134 A L E -EF 36 76C 1 -16,-1.8 -16,-1.3 -2,-0.3 24,-0.2 -0.904 33.0-154.5-100.2 113.5 40.7 -7.3 17.3 53 135 A T E -E 35 0C 1 22,-2.8 22,-0.5 -2,-0.7 -18,-0.2 -0.290 17.1-143.5 -74.2 168.1 43.5 -7.7 14.7 54 136 A Q E - 0 0 21 -20,-1.3 20,-0.2 2,-0.4 -19,-0.1 0.101 51.4-105.5-112.2 15.0 43.1 -9.6 11.5 55 137 A G E S+ 0 0 49 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.837 92.0 92.7 63.9 34.4 46.7 -10.9 11.8 56 138 A A E - 0 0 7 -22,-0.4 -22,-2.9 7,-0.1 -2,-0.4 -0.975 69.6-122.1-152.2 159.9 47.7 -8.5 9.1 57 139 A L E > -E 33 0C 45 -2,-0.3 3,-1.0 -24,-0.3 6,-0.3 -0.804 37.8 -96.6-106.3 150.5 49.1 -5.0 8.5 58 140 A L T 3 S+ 0 0 7 -26,-2.7 -26,-0.2 -2,-0.3 3,-0.1 -0.268 108.1 24.0 -57.2 147.9 47.5 -2.2 6.5 59 141 A N T 3 S+ 0 0 34 1,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.748 101.7 110.2 64.1 24.9 48.8 -1.8 2.9 60 142 A D S X S- 0 0 61 -3,-1.0 3,-1.3 1,-0.1 -1,-0.3 -0.895 79.5-115.7-122.9 159.3 49.9 -5.4 2.8 61 143 A K G > S+ 0 0 142 -2,-0.3 3,-1.9 1,-0.2 -2,-0.1 0.812 110.3 65.1 -63.4 -31.4 48.5 -8.4 0.9 62 144 A H G 3 S+ 0 0 123 1,-0.3 -1,-0.2 -5,-0.1 -4,-0.1 0.652 85.6 72.9 -70.4 -13.0 47.4 -10.3 4.0 63 145 A S G X S+ 0 0 0 -3,-1.3 3,-1.2 -6,-0.3 293,-0.4 0.612 75.7 118.2 -70.4 -12.7 44.9 -7.4 4.7 64 146 A N T < S+ 0 0 99 -3,-1.9 291,-0.2 1,-0.2 290,-0.0 -0.299 75.1 13.1 -61.1 135.1 43.0 -8.9 1.8 65 147 A G T > S+ 0 0 36 289,-2.5 3,-1.7 1,-0.1 -1,-0.2 0.680 76.7 143.8 76.5 20.0 39.5 -10.2 2.5 66 148 A T T < + 0 0 9 -3,-1.2 289,-0.1 288,-0.7 -2,-0.1 0.434 49.0 88.9 -76.3 2.5 39.4 -8.6 6.0 67 149 A I T 3 + 0 0 83 287,-0.3 -1,-0.3 282,-0.0 288,-0.1 0.792 68.3 103.2 -60.4 -27.9 35.6 -7.8 5.5 68 150 A K < - 0 0 128 -3,-1.7 288,-0.1 1,-0.1 3,-0.1 -0.308 65.5-151.4 -64.3 136.4 35.3 -11.3 7.0 69 151 A D + 0 0 87 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.940 69.1 32.8 -77.1 -50.7 34.2 -11.3 10.7 70 152 A R + 0 0 60 3,-0.0 -1,-0.1 44,-0.0 47,-0.1 -0.885 61.8 133.4-121.7 141.7 35.6 -14.5 12.2 71 153 A S > - 0 0 16 -2,-0.4 3,-0.8 -3,-0.1 44,-0.1 -0.960 60.2-101.7-171.4 164.4 38.8 -16.5 11.6 72 154 A P T 3 S+ 0 0 92 0, 0.0 24,-0.0 0, 0.0 -1,-0.0 0.682 113.6 63.6 -70.5 -17.3 41.7 -18.3 13.4 73 155 A Y T 3 S+ 0 0 163 -19,-0.1 -20,-0.1 22,-0.1 -18,-0.1 0.726 78.3 102.1 -80.4 -22.7 44.1 -15.4 12.6 74 156 A R < - 0 0 3 -3,-0.8 22,-0.8 -20,-0.2 2,-0.3 -0.351 50.3-179.7 -67.1 139.1 42.1 -12.7 14.6 75 157 A T E - G 0 95C 25 -22,-0.5 -22,-2.8 20,-0.3 2,-0.6 -0.983 30.5-118.8-139.8 151.2 43.5 -11.8 18.0 76 158 A L E +FG 52 94C 0 18,-4.3 17,-2.6 -2,-0.3 18,-1.9 -0.811 44.1 163.2 -88.7 120.1 42.7 -9.5 20.9 77 159 A M E -FG 51 92C 20 -26,-2.5 -26,-2.1 -2,-0.6 2,-0.3 -0.886 19.5-155.2-131.9 164.3 45.5 -6.9 21.5 78 160 A S E +FG 50 91C 0 13,-2.4 13,-3.6 -2,-0.3 -28,-0.2 -0.989 11.1 174.5-141.1 151.6 45.9 -3.6 23.4 79 161 A C E -F 49 0C 1 -30,-1.9 -30,-3.2 -2,-0.3 11,-0.1 -0.902 48.6 -68.6-142.2 170.5 48.0 -0.5 23.3 80 162 A P E > -F 48 0C 32 0, 0.0 3,-1.8 0, 0.0 -32,-0.2 -0.323 66.1 -89.5 -62.7 147.2 48.0 2.8 25.2 81 163 A I T 3 S+ 0 0 39 -34,-2.1 3,-0.1 1,-0.2 -34,-0.1 -0.289 111.6 19.0 -61.0 136.7 45.1 5.1 24.3 82 164 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.234 100.3 113.5 89.7 -14.2 45.7 7.5 21.4 83 165 A E S < S- 0 0 85 -3,-1.8 -1,-0.3 1,-0.1 -62,-0.1 -0.582 76.2-101.6 -87.9 153.5 48.5 5.4 20.1 84 166 A V - 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