==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-08 3CYE . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.ZHU,X.XU,I.A.WILSON . 770 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 58.1 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 . 262 34.0 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 . 50 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 5.6 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 . 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 2 6 4 18 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 10 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 0 116 0, 0.0 2,-0.4 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 107.5 1.5 46.0 -13.0 2 84 A I - 0 0 69 103,-0.1 2,-0.4 104,-0.1 103,-0.3 -0.767 360.0-111.2 -86.2 138.4 3.0 44.7 -9.7 3 85 A L - 0 0 2 101,-2.3 150,-1.5 -2,-0.4 151,-0.8 -0.549 23.2-153.1 -68.6 126.0 0.5 42.9 -7.6 4 86 A T - 0 0 54 -2,-0.4 149,-0.2 148,-0.2 -1,-0.2 0.903 6.5-161.3 -69.4 -41.6 -0.1 45.0 -4.5 5 87 A G + 0 0 0 147,-0.2 199,-2.7 196,-0.1 200,-0.2 0.701 53.0 121.0 64.3 23.4 -1.1 42.2 -2.1 6 88 A N + 0 0 108 197,-0.3 2,-0.1 198,-0.1 -1,-0.1 0.557 43.3 97.4 -94.1 -10.0 -2.7 44.8 0.2 7 89 A S - 0 0 16 196,-0.1 196,-3.0 1,-0.1 197,-0.4 -0.359 69.4-125.7 -78.7 160.0 -6.3 43.4 0.1 8 90 A S - 0 0 61 326,-0.3 328,-2.6 194,-0.2 -1,-0.1 -0.595 43.8 -71.6-101.2 164.9 -7.7 41.0 2.8 9 91 A L B -a 336 0A 17 -2,-0.2 328,-0.2 326,-0.2 -1,-0.1 -0.261 55.3-106.9 -60.7 139.4 -9.3 37.7 2.2 10 92 A a - 0 0 8 326,-2.6 2,-0.1 1,-0.1 -1,-0.1 -0.372 34.5-105.9 -58.7 140.0 -12.7 37.7 0.6 11 93 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 356,-0.1 -0.493 52.2 178.0 -59.7 131.8 -15.8 36.8 2.7 12 94 A I - 0 0 25 -2,-0.1 355,-0.3 355,-0.1 3,-0.1 -0.959 36.5-169.3-138.9 157.6 -16.8 33.3 1.7 13 95 A S S S- 0 0 58 353,-2.9 2,-0.3 1,-0.3 354,-0.2 0.497 73.6 -22.1-116.7 -16.7 -19.4 30.7 2.7 14 96 A G E S-B 366 0B 0 352,-1.6 352,-2.7 355,-0.1 2,-0.5 -0.963 70.3 -77.1-175.1-172.0 -18.1 27.7 0.8 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.5 350,-0.2 2,-0.4 -0.937 27.7-159.1-121.4 124.2 -16.0 26.3 -2.0 16 98 A A E -B 364 0B 3 348,-3.0 348,-2.6 -2,-0.5 2,-0.2 -0.798 34.6-105.1 -99.1 136.2 -17.1 26.2 -5.8 17 99 A I E +B 363 0B 8 -2,-0.4 464,-0.3 346,-0.2 346,-0.3 -0.500 39.3 175.4 -68.9 132.4 -15.3 23.7 -8.0 18 100 A Y E - 0 0 14 344,-2.9 2,-0.3 1,-0.3 345,-0.2 0.818 56.5 -4.9-104.7 -45.0 -12.8 25.4 -10.3 19 101 A S E -B 362 0B 0 343,-1.5 343,-2.1 461,-0.1 -1,-0.3 -0.982 39.4-174.5-150.4 163.4 -11.0 22.6 -12.1 20 102 A K E -B 361 0B 1 -2,-0.3 341,-0.2 341,-0.2 460,-0.1 -0.878 6.5-170.7-154.3 123.0 -10.6 18.8 -12.6 21 103 A D - 0 0 7 339,-1.9 63,-0.1 -2,-0.3 5,-0.1 0.693 16.6-151.4 -94.9 -16.0 -7.9 17.5 -15.0 22 104 A N > + 0 0 2 338,-0.6 4,-2.6 1,-0.1 5,-0.3 0.824 36.0 161.3 50.0 34.9 -8.7 13.7 -15.1 23 105 A G H > + 0 0 3 1,-0.2 4,-2.1 2,-0.2 336,-0.1 0.847 65.8 43.1 -56.4 -45.2 -5.0 13.3 -15.8 24 106 A I H > S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.914 112.7 51.7 -72.9 -44.8 -4.7 9.6 -14.9 25 107 A R H >4 S+ 0 0 9 352,-0.3 3,-0.9 1,-0.2 418,-0.3 0.931 115.3 43.9 -53.6 -48.3 -8.0 8.6 -16.7 26 108 A I H >X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.2 3,-1.8 0.907 107.3 59.8 -62.9 -38.8 -6.7 10.4 -19.8 27 109 A G H 3< S+ 0 0 0 -4,-2.1 5,-0.3 1,-0.3 -1,-0.2 0.549 83.1 80.9 -72.7 -7.7 -3.2 8.9 -19.4 28 110 A S T << S+ 0 0 12 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.826 121.5 3.2 -62.5 -29.0 -4.7 5.4 -19.6 29 111 A K T <4 S+ 0 0 52 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.670 123.8 67.0-124.2 -45.4 -4.6 6.0 -23.4 30 112 A G S < S- 0 0 3 -4,-3.1 2,-1.0 -5,-0.2 28,-0.1 -0.165 93.2 -91.3 -77.0 178.1 -3.0 9.4 -24.1 31 113 A D + 0 0 53 26,-0.1 2,-0.4 53,-0.1 57,-0.4 -0.800 61.4 160.1 -96.2 96.2 0.7 10.5 -23.5 32 114 A V - 0 0 1 -2,-1.0 26,-2.9 -5,-0.3 54,-0.3 -0.963 38.1-114.9-129.0 132.6 0.5 11.9 -20.0 33 115 A F E -E 57 0C 19 52,-3.1 2,-0.5 -2,-0.4 24,-0.3 -0.332 23.7-119.5 -60.7 141.9 3.4 12.5 -17.5 34 116 A V E + 0 0 13 22,-2.4 20,-0.7 323,-0.1 22,-0.3 -0.789 54.2 175.1 -69.5 124.8 3.6 10.6 -14.2 35 117 A I E -E 53 0C 5 -2,-0.5 323,-0.8 323,-0.2 2,-0.3 -0.863 29.8-164.0-132.5 165.7 3.4 13.6 -11.8 36 118 A R E +E 52 0C 47 16,-1.9 16,-2.4 -2,-0.3 3,-0.2 -0.946 69.3 24.3-141.2 164.4 3.3 14.7 -8.2 37 119 A E E - 0 0 10 -2,-0.3 2,-2.2 1,-0.2 -1,-0.1 0.892 61.1-168.1 48.0 62.7 2.3 18.0 -6.5 38 120 A P E + 0 0 3 0, 0.0 13,-0.2 0, 0.0 2,-0.2 -0.474 18.9 178.7 -76.5 71.3 0.1 19.6 -9.2 39 121 A F E -E 50 0C 0 -2,-2.2 11,-3.4 11,-0.5 2,-0.3 -0.506 19.4-137.7 -84.0 141.9 0.0 23.0 -7.5 40 122 A I E +E 49 0C 0 9,-0.2 108,-0.5 -2,-0.2 2,-0.3 -0.716 24.0 171.4 -98.2 145.9 -1.8 25.9 -9.1 41 123 A S E -E 48 0C 0 7,-2.4 7,-3.1 -2,-0.3 2,-0.3 -0.975 13.4-151.7-149.6 153.0 -0.6 29.5 -9.3 42 124 A b E -E 47 0C 9 283,-0.4 61,-0.5 -2,-0.3 5,-0.2 -0.827 7.0-159.0-127.5 151.9 -1.9 32.6 -11.1 43 125 A S - 0 0 8 3,-3.1 284,-0.2 -2,-0.3 287,-0.1 -0.260 53.9 -82.7-102.0-160.9 -0.7 35.8 -12.6 44 126 A H S S+ 0 0 47 1,-0.1 3,-0.1 -2,-0.1 282,-0.0 0.451 130.1 33.5 -79.8 0.3 -2.7 38.9 -13.3 45 127 A L S S- 0 0 130 1,-0.4 2,-0.3 286,-0.0 -1,-0.1 0.622 122.0 -4.2-127.9 -25.8 -3.8 37.1 -16.5 46 128 A E - 0 0 84 2,-0.0 -3,-3.1 468,-0.0 2,-0.4 -0.978 56.1-117.6-168.3 165.9 -4.1 33.3 -16.1 47 129 A b E -E 42 0C 12 -2,-0.3 34,-1.1 -5,-0.2 2,-0.3 -0.933 26.2-167.8-121.6 143.0 -3.7 30.4 -13.9 48 130 A R E -EF 41 80C 20 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.6 -0.948 21.2-128.2-126.9 152.6 -1.3 27.5 -14.4 49 131 A T E -EF 40 79C 4 30,-2.9 30,-2.5 -2,-0.3 2,-0.3 -0.896 25.4-164.1 -93.8 120.4 -0.8 24.0 -12.9 50 132 A F E +EF 39 78C 0 -11,-3.4 -11,-0.5 -2,-0.6 2,-0.3 -0.700 17.0 165.8 -95.9 153.9 2.8 23.4 -12.0 51 133 A F E - F 0 77C 2 26,-2.1 26,-2.7 -2,-0.3 2,-0.4 -0.984 34.6-118.4-162.4 159.6 4.0 19.9 -11.3 52 134 A L E -EF 36 76C 1 -16,-2.4 -16,-1.9 -2,-0.3 2,-0.3 -0.878 30.6-176.7-104.3 133.2 7.1 17.7 -10.8 53 135 A T E -EF 35 75C 1 22,-2.4 22,-2.6 -2,-0.4 43,-0.2 -0.959 34.0-139.1-123.3 153.0 7.7 14.8 -13.2 54 136 A Q E - 0 0 35 -20,-0.7 20,-0.1 -2,-0.3 3,-0.1 0.139 60.4-103.5 -85.6 16.0 10.3 12.1 -13.3 55 137 A G E S+ 0 0 49 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.941 88.6 110.9 59.1 49.6 10.3 12.7 -17.1 56 138 A A E - 0 0 7 -22,-0.3 -22,-2.4 7,-0.1 2,-0.3 -0.958 59.6-125.9-148.2 158.6 8.4 9.6 -17.8 57 139 A L E > -E 33 0C 39 -2,-0.3 3,-0.5 -24,-0.3 6,-0.3 -0.740 29.7 -96.7-113.3 155.6 4.8 8.8 -19.0 58 140 A L T 3 S+ 0 0 7 -26,-2.9 -26,-0.2 -2,-0.3 3,-0.1 -0.351 109.5 30.3 -64.2 150.1 1.9 6.7 -17.7 59 141 A N T 3 S+ 0 0 37 1,-0.2 2,-0.3 -28,-0.1 -1,-0.2 0.876 102.3 107.5 63.1 39.8 1.7 3.2 -19.2 60 142 A D S X S- 0 0 57 -3,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.995 78.4-119.8-145.3 151.1 5.5 3.1 -19.7 61 143 A K G > S+ 0 0 153 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.788 108.5 65.8 -61.6 -28.1 8.5 1.2 -18.1 62 144 A H G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.582 84.7 74.0 -72.4 -8.2 10.2 4.5 -17.0 63 145 A S G < + 0 0 7 -3,-1.7 293,-0.3 -6,-0.3 -1,-0.3 0.544 63.6 135.7 -78.3 -9.9 7.3 5.2 -14.7 64 146 A N X - 0 0 69 -3,-1.7 3,-1.0 1,-0.2 291,-0.2 -0.189 50.4-149.7 -42.4 116.0 8.7 2.5 -12.4 65 147 A G T 3 S+ 0 0 42 289,-3.4 -1,-0.2 1,-0.2 290,-0.1 0.285 77.7 92.4 -85.9 10.5 8.4 4.3 -9.0 66 148 A T T 3 + 0 0 123 288,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.642 63.0 108.1 -76.0 -16.1 11.4 2.6 -7.4 67 149 A V S < S- 0 0 52 -3,-1.0 4,-0.1 1,-0.1 -13,-0.0 -0.284 86.4 -97.2 -50.6 141.9 13.4 5.6 -8.7 68 150 A K - 0 0 155 1,-0.1 3,-0.3 2,-0.1 -1,-0.1 -0.344 21.6-127.0 -59.7 147.4 14.4 7.9 -5.8 69 151 A D S S+ 0 0 104 1,-0.3 2,-1.5 -3,-0.1 -1,-0.1 0.930 109.4 57.8 -56.9 -45.3 12.1 10.9 -5.2 70 152 A R S S+ 0 0 83 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 -0.608 81.6 149.4 -91.7 78.8 15.2 13.0 -5.4 71 153 A S > - 0 0 4 -2,-1.5 3,-1.1 -3,-0.3 44,-0.1 -0.736 58.9-122.6-109.8 155.2 16.4 12.0 -8.9 72 154 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.555 110.1 63.4 -71.4 -5.8 18.3 14.0 -11.5 73 155 A Y T 3 S+ 0 0 148 22,-0.1 2,-0.1 2,-0.0 -20,-0.1 0.631 75.8 109.6 -88.4 -16.7 15.4 13.3 -13.9 74 156 A R < + 0 0 21 -3,-1.1 22,-1.8 -20,-0.1 2,-0.3 -0.416 45.9 179.1 -73.2 132.9 12.8 15.2 -11.9 75 157 A T E -FG 53 95C 24 -22,-2.6 -22,-2.4 20,-0.3 2,-0.5 -0.977 30.5-126.9-133.9 148.3 11.7 18.5 -13.5 76 158 A L E +FG 52 94C 0 18,-3.0 17,-2.5 -2,-0.3 18,-2.0 -0.840 41.1 164.9 -90.2 124.0 9.3 21.2 -12.7 77 159 A M E -FG 51 92C 22 -26,-2.7 -26,-2.1 -2,-0.5 2,-0.3 -0.788 19.7-149.5-128.7 171.9 6.9 21.8 -15.6 78 160 A S E +FG 50 91C 0 13,-2.1 13,-3.0 -2,-0.2 -28,-0.2 -0.998 12.6 176.6-144.8 156.3 3.6 23.6 -16.0 79 161 A C E -F 49 0C 1 -30,-2.5 -30,-2.9 -2,-0.3 11,-0.1 -0.929 44.9 -72.4-146.6 168.1 0.5 23.4 -18.1 80 162 A P E > -F 48 0C 38 0, 0.0 3,-1.6 0, 0.0 -32,-0.2 -0.308 64.2 -88.6 -64.4 149.8 -2.9 25.2 -18.3 81 163 A V T 3 S+ 0 0 18 -34,-1.1 397,-0.4 1,-0.2 3,-0.1 -0.337 110.0 17.2 -62.3 130.8 -5.3 24.6 -15.5 82 164 A G T 3 S+ 0 0 3 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.464 96.4 115.7 93.4 -2.0 -7.6 21.6 -16.0 83 165 A E S < S- 0 0 23 -3,-1.6 -1,-0.3 395,-0.1 -60,-0.1 -0.800 75.3-103.4-100.1 142.0 -5.6 19.9 -18.9 84 166 A A - 0 0 4 -2,-0.3 2,-1.1 -63,-0.1 5,-0.1 -0.430 44.3-108.7 -57.1 137.9 -3.9 16.5 -18.6 85 167 A P + 0 0 7 0, 0.0 -52,-3.1 0, 0.0 -1,-0.1 -0.605 56.4 162.6 -77.1 101.1 -0.1 17.1 -18.1 86 168 A S >> - 0 0 1 -2,-1.1 4,-1.3 -54,-0.3 3,-1.3 -0.819 55.1-118.9-116.7 156.3 1.4 16.0 -21.4 87 169 A P T 34 S+ 0 0 52 0, 0.0 -55,-0.1 0, 0.0 -1,-0.1 0.724 116.3 57.8 -60.2 -15.7 4.7 16.5 -23.1 88 169AA Y T 34 S+ 0 0 130 -57,-0.4 -56,-0.1 1,-0.1 3,-0.0 0.550 117.9 26.4 -91.4 -12.7 2.6 18.2 -25.9 89 170 A N T <4 S+ 0 0 25 -3,-1.3 2,-0.4 -5,-0.1 -1,-0.1 0.376 100.4 98.0-127.5 5.1 1.0 20.9 -23.7 90 171 A S < - 0 0 18 -4,-1.3 2,-0.3 -11,-0.1 -11,-0.2 -0.821 57.8-144.4-108.3 134.9 3.5 21.4 -20.9 91 172 A R E -G 78 0C 93 -13,-3.0 -13,-2.1 -2,-0.4 2,-0.4 -0.653 22.5-120.9 -88.2 141.8 6.2 24.1 -20.6 92 173 A F E +G 77 0C 98 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.733 36.1 167.3 -82.7 136.4 9.6 23.3 -19.0 93 174 A E E - 0 0 14 -17,-2.5 2,-0.3 -2,-0.4 -16,-0.2 0.759 52.9 -29.8-113.7 -55.4 10.4 25.4 -15.9 94 175 A S E -G 76 0C 3 -18,-2.0 -18,-3.0 17,-0.1 2,-0.5 -0.992 56.3 -98.2-160.2 159.4 13.4 24.0 -14.0 95 176 A V E +G 75 0C 68 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.3 -0.785 67.1 147.7 -84.1 128.0 15.3 20.9 -13.1 96 177 A A - 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