==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4B7N . 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 . 386 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 59.1 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 . 129 33.4 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 . 32 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 5.7 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 . 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 0 1 2 5 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 5 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 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 0 144 0, 0.0 3,-0.1 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 145.4 42.5 -2.0 45.9 2 84 A K - 0 0 93 1,-0.1 2,-0.4 103,-0.1 103,-0.3 -0.257 360.0-107.7 -62.4 144.9 39.1 -3.1 44.4 3 85 A L - 0 0 6 101,-2.4 150,-1.1 1,-0.2 151,-0.7 -0.636 25.6-152.8 -72.6 126.9 36.9 -0.6 42.6 4 86 A A - 0 0 40 -2,-0.4 149,-1.0 148,-0.2 -1,-0.2 0.965 10.1-169.9 -68.4 -55.1 34.0 0.3 44.8 5 87 A G + 0 0 2 147,-0.2 199,-3.0 196,-0.1 200,-0.3 0.664 47.9 117.7 70.9 19.6 31.4 1.2 42.2 6 88 A N + 0 0 105 197,-0.3 -1,-0.1 198,-0.1 146,-0.0 0.688 50.1 89.3 -88.0 -22.1 28.9 2.6 44.7 7 89 A S S S- 0 0 25 1,-0.1 196,-2.3 196,-0.1 197,-0.3 -0.253 76.2-109.8 -78.9 164.9 28.9 6.2 43.5 8 90 A S - 0 0 69 326,-0.3 328,-3.3 194,-0.2 2,-0.3 -0.116 41.0 -81.7 -80.7 179.6 26.6 7.8 40.9 9 91 A L B -a 336 0A 14 326,-0.2 328,-0.2 1,-0.1 -1,-0.1 -0.692 50.7-106.3 -82.6 140.7 27.4 9.1 37.4 10 92 A a - 0 0 10 326,-2.2 2,-0.2 -2,-0.3 -1,-0.1 -0.378 38.8-100.7 -63.4 140.2 28.9 12.6 37.2 11 93 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.488 45.5-163.9 -62.4 130.1 26.5 15.3 35.9 12 94 A V + 0 0 19 -2,-0.2 355,-0.2 1,-0.1 3,-0.1 -0.978 30.7 164.7-127.2 128.1 27.4 15.9 32.2 13 95 A S S S+ 0 0 50 353,-1.9 2,-0.3 -2,-0.4 354,-0.2 0.554 73.5 3.3-110.7 -17.2 26.5 18.9 30.0 14 96 A G E -B 366 0B 0 352,-1.7 352,-2.2 355,-0.1 2,-0.5 -0.970 67.2-111.1-162.6 172.0 29.0 18.2 27.2 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.4 350,-0.2 2,-0.3 -0.946 22.1-158.5-124.8 113.3 31.7 16.0 25.8 16 98 A A E -B 364 0B 36 348,-2.3 348,-2.6 -2,-0.5 2,-0.2 -0.680 31.9-104.0 -89.5 140.9 35.4 17.0 25.6 17 99 A I E +B 363 0B 74 -2,-0.3 346,-0.3 346,-0.2 3,-0.1 -0.456 40.4 173.0 -69.5 130.1 37.7 15.2 23.2 18 100 A Y E + 0 0 107 344,-3.4 2,-0.3 1,-0.3 345,-0.2 0.837 55.7 0.4-104.8 -50.7 40.0 12.7 24.9 19 101 A S E -B 362 0B 13 343,-1.6 343,-2.4 64,-0.0 -1,-0.3 -0.990 41.1-179.7-146.7 152.4 41.9 10.8 22.2 20 102 A K E -B 361 0B 51 -2,-0.3 341,-0.2 341,-0.2 -3,-0.0 -0.907 4.0-174.6-148.6 125.9 42.4 10.3 18.5 21 103 A D - 0 0 6 339,-1.6 63,-0.1 -2,-0.3 340,-0.1 0.783 21.9-146.7 -92.0 -30.1 44.9 7.7 17.1 22 104 A N > + 0 0 53 338,-0.3 4,-2.1 61,-0.1 5,-0.3 0.846 34.3 165.8 61.5 39.5 44.8 8.4 13.3 23 105 A S H > + 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.845 66.2 42.1 -55.0 -49.4 45.4 4.7 12.7 24 106 A I H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.857 113.9 51.6 -73.1 -37.1 44.5 4.5 8.9 25 107 A R H 4 S+ 0 0 138 352,-0.3 3,-0.4 2,-0.2 4,-0.2 0.901 117.8 38.4 -63.2 -43.9 46.4 7.7 8.0 26 108 A I H >X S+ 0 0 81 -4,-2.1 4,-3.0 1,-0.2 3,-1.5 0.842 108.7 63.6 -75.4 -35.4 49.5 6.4 9.8 27 109 A G H 3< S+ 0 0 1 -4,-2.4 5,-0.3 -5,-0.3 -1,-0.2 0.606 81.7 82.4 -64.6 -14.0 48.9 2.9 8.6 28 110 A S T 3< S- 0 0 54 -4,-0.6 -1,-0.3 -3,-0.4 356,-0.2 0.819 121.4 -1.5 -58.2 -35.1 49.4 4.1 5.0 29 111 A K T <4 S+ 0 0 201 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.1 0.598 122.5 78.9-124.2 -37.2 53.2 3.9 5.5 30 112 A G S < S- 0 0 27 -4,-3.0 2,-1.3 -5,-0.1 28,-0.1 -0.189 90.9 -98.3 -74.6 166.9 53.6 2.7 9.1 31 113 A D + 0 0 70 26,-0.1 2,-0.4 -3,-0.0 57,-0.3 -0.714 60.9 157.3 -89.2 88.9 53.3 -0.9 10.4 32 114 A V - 0 0 2 -2,-1.3 26,-2.5 -5,-0.3 54,-0.2 -0.958 41.7-111.8-120.6 131.7 49.7 -0.7 11.8 33 115 A F E -E 57 0C 26 52,-3.0 2,-0.7 -2,-0.4 24,-0.3 -0.222 24.5-119.5 -55.5 142.3 47.4 -3.7 12.4 34 116 A V E + 0 0 0 22,-3.3 20,-1.8 323,-0.1 22,-0.4 -0.815 55.1 167.4 -78.8 117.0 44.3 -4.1 10.3 35 117 A I E +E 53 0C 4 -2,-0.7 323,-0.6 18,-0.2 2,-0.3 -0.845 28.2 178.8-131.2 164.3 41.6 -3.9 13.1 36 118 A R E +E 52 0C 24 16,-1.9 16,-2.0 -2,-0.3 322,-0.0 -0.934 62.3 42.0-150.9 175.8 38.0 -3.6 13.9 37 119 A E E S+ 0 0 9 -2,-0.3 2,-0.2 14,-0.2 -1,-0.1 0.937 70.6 179.4 51.6 57.8 35.8 -3.6 17.0 38 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.544 3.8 174.8 -83.5 156.0 38.1 -1.3 19.2 39 121 A F E -E 50 0C 2 11,-3.0 11,-3.9 -2,-0.2 2,-0.4 -0.986 23.3-127.6-154.9 159.8 37.2 -0.3 22.7 40 122 A I E +E 49 0C 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.872 23.6 172.6-112.0 139.7 38.6 1.5 25.7 41 123 A S E -E 48 0C 1 7,-2.0 7,-3.2 -2,-0.4 2,-0.4 -0.990 16.9-144.4-142.0 147.9 38.9 0.4 29.3 42 124 A b E -E 47 0C 11 283,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.898 6.8-163.2-119.1 140.8 40.7 1.9 32.3 43 125 A S - 0 0 9 3,-3.4 284,-0.1 -2,-0.4 63,-0.0 -0.410 50.3 -90.1 -94.8-178.0 42.6 0.6 35.3 44 126 A P S S+ 0 0 36 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.624 128.1 34.1 -67.0 -11.2 43.3 2.7 38.4 45 127 A L S S+ 0 0 160 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.786 124.6 4.4-110.5 -43.1 46.6 3.8 36.7 46 128 A E - 0 0 74 34,-0.0 -3,-3.4 2,-0.0 2,-0.4 -0.951 56.5-124.0-145.1 160.1 46.0 4.0 32.9 47 129 A b E -E 42 0C 10 -2,-0.3 34,-1.6 -5,-0.3 2,-0.3 -0.925 31.6-162.8-105.5 134.8 43.4 3.8 30.1 48 130 A R E -EF 41 80C 11 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.7 -0.850 18.1-129.2-118.6 152.0 44.1 1.3 27.3 49 131 A T E -EF 40 79C 5 30,-3.5 30,-2.2 -2,-0.3 2,-0.3 -0.900 24.9-164.2-100.0 114.8 42.7 0.8 23.8 50 132 A F E +EF 39 78C 0 -11,-3.9 -11,-3.0 -2,-0.7 2,-0.3 -0.707 15.3 168.3 -94.1 150.9 41.6 -2.8 23.1 51 133 A F E - F 0 77C 0 26,-2.2 26,-2.4 -2,-0.3 2,-0.7 -0.987 36.9-119.4-160.9 150.7 41.0 -4.0 19.5 52 134 A L E -EF 36 76C 0 -16,-2.0 -16,-1.9 -2,-0.3 24,-0.2 -0.875 34.3-154.2 -98.1 112.0 40.5 -7.1 17.4 53 135 A T E -E 35 0C 0 22,-2.8 22,-0.3 -2,-0.7 -18,-0.2 -0.271 18.9-143.6 -76.5 166.1 43.2 -7.6 14.9 54 136 A Q E - 0 0 18 -20,-1.8 20,-0.2 2,-0.4 -19,-0.1 0.197 50.0-109.1-108.5 9.8 42.9 -9.4 11.6 55 137 A G E S+ 0 0 47 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.823 89.7 91.2 64.7 34.4 46.5 -10.7 12.0 56 138 A A E S- 0 0 9 -22,-0.4 -22,-3.3 7,-0.1 -2,-0.4 -0.987 71.2-118.0-155.0 155.4 47.7 -8.4 9.2 57 139 A L E > -E 33 0C 42 -2,-0.3 3,-1.0 -24,-0.3 6,-0.2 -0.656 37.2 -97.9 -97.0 153.9 49.1 -5.0 8.5 58 140 A L T 3 S+ 0 0 7 -26,-2.5 -26,-0.2 -2,-0.2 3,-0.1 -0.409 108.0 22.9 -65.6 144.9 47.5 -2.1 6.5 59 141 A N T 3 S+ 0 0 41 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.713 101.7 112.7 66.3 24.4 48.8 -1.8 2.9 60 142 A D S X S- 0 0 64 -3,-1.0 3,-1.8 1,-0.0 -1,-0.3 -0.916 79.1-116.7-122.4 152.9 49.9 -5.4 2.9 61 143 A K G > S+ 0 0 144 -2,-0.3 3,-1.5 1,-0.3 -3,-0.0 0.718 108.2 69.7 -61.4 -24.2 48.4 -8.3 0.8 62 144 A H G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.550 82.2 73.4 -74.6 -6.9 47.2 -10.2 3.9 63 145 A S G X S+ 0 0 0 -3,-1.8 3,-1.3 -6,-0.2 293,-0.3 0.425 71.1 124.7 -81.8 0.2 44.6 -7.5 4.5 64 146 A N T < S+ 0 0 112 -3,-1.5 291,-0.2 1,-0.3 290,-0.0 -0.439 78.5 6.6 -64.3 125.8 42.7 -9.0 1.6 65 147 A G T > S+ 0 0 38 289,-2.5 3,-1.5 -2,-0.2 -1,-0.3 0.740 78.9 146.6 74.8 27.2 39.2 -10.0 2.5 66 148 A T T < + 0 0 8 -3,-1.3 289,-0.1 288,-0.7 -2,-0.1 0.355 52.4 84.9 -81.9 7.2 39.3 -8.5 6.0 67 149 A I T 3 + 0 0 77 287,-0.3 -1,-0.3 282,-0.0 288,-0.1 0.713 67.9 107.8 -69.7 -22.6 35.6 -7.6 5.8 68 150 A K < - 0 0 131 -3,-1.5 3,-0.1 1,-0.1 288,-0.1 -0.355 65.6-150.7 -58.3 131.0 35.2 -11.2 7.0 69 151 A D + 0 0 84 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.877 69.9 34.4 -77.4 -41.6 34.1 -11.1 10.7 70 152 A R + 0 0 67 3,-0.0 -1,-0.2 44,-0.0 47,-0.1 -0.969 62.1 142.4-130.2 129.3 35.5 -14.3 12.1 71 153 A S > - 0 0 17 -2,-0.4 3,-0.8 -3,-0.1 44,-0.1 -0.944 57.2-107.3-150.6 166.6 38.8 -16.2 11.4 72 154 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.0 0, 0.0 25,-0.0 0.558 114.3 62.5 -72.2 -7.8 41.5 -18.3 13.3 73 155 A Y T 3 S+ 0 0 164 -19,-0.1 2,-0.3 22,-0.1 -20,-0.1 0.542 75.5 108.0 -96.7 -9.4 43.9 -15.3 12.8 74 156 A R < - 0 0 2 -3,-0.8 22,-0.8 -20,-0.2 2,-0.4 -0.537 46.3-178.8 -75.0 129.4 42.0 -12.7 14.8 75 157 A T E - G 0 95C 26 -2,-0.3 -22,-2.8 20,-0.3 2,-0.5 -0.979 28.3-125.2-130.1 142.4 43.5 -11.8 18.1 76 158 A L E +FG 52 94C 0 18,-2.2 17,-2.4 -2,-0.4 18,-1.9 -0.771 41.9 165.7 -82.1 123.9 42.5 -9.4 20.9 77 159 A M E -FG 51 92C 21 -26,-2.4 -26,-2.2 -2,-0.5 2,-0.3 -0.908 21.1-149.6-134.1 162.3 45.4 -6.9 21.6 78 160 A S E +FG 50 91C 0 13,-2.7 13,-3.8 -2,-0.3 -28,-0.2 -0.990 12.1 176.7-135.4 146.3 45.7 -3.7 23.5 79 161 A C E -F 49 0C 0 -30,-2.2 -30,-3.5 -2,-0.3 11,-0.1 -0.894 46.4 -76.3-133.7 166.1 47.9 -0.5 23.3 80 162 A P E > -F 48 0C 34 0, 0.0 3,-1.6 0, 0.0 -32,-0.2 -0.330 66.3 -83.5 -62.3 149.6 48.0 2.7 25.3 81 163 A I T 3 S+ 0 0 39 -34,-1.6 3,-0.1 1,-0.2 -61,-0.1 -0.179 111.6 16.5 -58.2 140.5 45.1 5.2 24.4 82 164 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.333 100.4 113.1 81.5 -7.4 45.6 7.5 21.4 83 165 A E S < S- 0 0 85 -3,-1.6 -1,-0.3 1,-0.1 -62,-0.1 -0.611 74.8-100.8 -93.1 156.5 48.4 5.4 20.0 84 166 A V - 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