==== 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 VIRAL PROTEIN, HYDROLASE 18-MAR-08 3CL0 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR P.COLLINS,L.F.HAIRE,Y.P.LIN,J.LIU,R.J.RUSSELL,P.A.WALKER,J.J . 385 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 60.0 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 . 130 33.8 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 . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 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 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 . 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 1 6 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 0 168 0, 0.0 3,-0.1 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 145.0 -16.5 -54.6 40.4 2 84 A K - 0 0 66 1,-0.1 2,-0.4 103,-0.1 103,-0.3 -0.263 360.0-104.3 -71.7 146.1 -19.7 -54.2 38.4 3 85 A L - 0 0 2 101,-2.3 150,-1.0 1,-0.1 151,-0.9 -0.571 31.4-153.3 -64.5 120.3 -20.8 -51.3 36.3 4 86 A A - 0 0 25 -2,-0.4 149,-1.1 148,-0.2 -1,-0.1 0.950 6.1-166.0 -67.8 -51.7 -23.5 -49.6 38.4 5 87 A G + 0 0 1 147,-0.2 199,-2.7 196,-0.1 200,-0.3 0.694 52.8 120.0 68.0 20.9 -25.6 -47.9 35.7 6 88 A N + 0 0 115 197,-0.3 2,-0.1 198,-0.1 -1,-0.1 0.537 49.3 82.2 -94.0 -12.8 -27.2 -45.9 38.6 7 89 A S S S- 0 0 22 1,-0.1 196,-2.7 196,-0.1 197,-0.3 -0.477 77.8-109.1 -94.7 166.5 -26.2 -42.4 37.5 8 90 A S - 0 0 69 326,-0.3 328,-2.8 194,-0.2 2,-0.2 -0.369 40.9 -81.4 -87.5 167.5 -27.9 -40.1 34.9 9 91 A L B -a 336 0A 14 326,-0.2 328,-0.2 -2,-0.1 -1,-0.1 -0.520 54.0-105.7 -66.2 133.8 -26.8 -39.0 31.5 10 92 A a - 0 0 10 326,-2.2 2,-0.2 -2,-0.2 -1,-0.1 -0.250 33.9-106.2 -55.6 142.0 -24.3 -36.1 31.5 11 93 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.565 49.4-177.3 -65.4 137.1 -25.6 -32.6 30.5 12 94 A I - 0 0 20 -2,-0.2 355,-0.3 1,-0.1 3,-0.1 -0.941 35.5-167.0-138.0 158.4 -24.3 -31.9 27.0 13 95 A N S S- 0 0 102 353,-3.4 2,-0.3 1,-0.3 354,-0.2 0.563 74.0 -29.8-114.4 -20.0 -24.3 -29.0 24.4 14 96 A G E -B 366 0B 1 352,-1.8 352,-3.0 355,-0.1 2,-0.5 -0.930 69.6 -74.6-176.5-167.1 -23.0 -30.9 21.3 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.5 350,-0.2 2,-0.4 -0.964 27.6-156.7-126.5 123.2 -20.9 -33.7 20.0 16 98 A A E -B 364 0B 37 348,-2.6 348,-2.5 -2,-0.5 354,-0.1 -0.831 34.9-102.4 -98.1 135.8 -17.1 -33.8 19.7 17 99 A V E +B 363 0B 68 -2,-0.4 346,-0.3 346,-0.2 3,-0.1 -0.314 42.8 172.1 -59.5 136.5 -15.4 -36.2 17.1 18 100 A Y E - 0 0 101 344,-3.2 2,-0.3 1,-0.4 345,-0.2 0.771 52.8 -2.9-116.1 -49.4 -14.1 -39.3 18.7 19 101 A S E -B 362 0B 14 343,-1.5 343,-2.3 64,-0.0 -1,-0.4 -0.986 39.8-176.0-149.7 156.8 -12.9 -41.8 16.1 20 102 A K E -B 361 0B 55 -2,-0.3 341,-0.2 341,-0.2 357,-0.0 -0.859 6.5-168.6-152.8 119.9 -12.7 -42.5 12.4 21 103 A D - 0 0 6 339,-2.0 63,-0.1 -2,-0.3 340,-0.1 0.695 16.3-152.2 -85.9 -20.1 -11.3 -45.8 11.1 22 104 A N > + 0 0 54 338,-0.5 4,-2.4 1,-0.1 5,-0.2 0.764 37.3 158.9 53.7 28.4 -10.8 -44.9 7.4 23 105 A S H > + 0 0 2 1,-0.2 4,-2.6 2,-0.2 7,-0.1 0.810 62.4 43.7 -55.3 -47.3 -11.4 -48.7 6.8 24 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.893 113.2 51.9 -72.6 -38.7 -12.5 -48.7 3.2 25 107 A R H >4 S+ 0 0 142 352,-0.3 3,-0.7 1,-0.2 4,-0.3 0.914 115.7 42.2 -57.4 -47.2 -9.7 -46.3 2.1 26 108 A I H >X S+ 0 0 81 -4,-2.4 4,-3.7 1,-0.2 3,-1.9 0.881 106.1 63.1 -68.9 -39.7 -7.1 -48.5 3.8 27 109 A G T 3< S+ 0 0 1 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.529 81.4 80.9 -67.2 -7.1 -8.7 -51.7 2.5 28 110 A S T <4 S- 0 0 60 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.831 123.9 -1.2 -62.3 -33.0 -7.9 -50.6 -1.0 29 111 A K T <4 S+ 0 0 198 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.625 122.0 79.3-123.1 -40.3 -4.4 -51.9 -0.3 30 112 A G S < S- 0 0 28 -4,-3.7 2,-1.4 -5,-0.1 28,-0.1 -0.248 90.8-100.9 -72.9 160.9 -4.4 -53.2 3.3 31 113 A D + 0 0 69 26,-0.1 2,-0.4 -3,-0.0 57,-0.3 -0.696 62.3 160.7 -81.3 90.7 -5.8 -56.5 4.4 32 114 A V - 0 0 4 -2,-1.4 26,-3.0 -5,-0.3 54,-0.3 -0.948 38.5-113.8-121.5 134.7 -9.1 -55.2 5.8 33 115 A F E -E 57 0C 23 52,-2.9 2,-0.6 -2,-0.4 24,-0.3 -0.338 21.3-122.9 -61.6 140.5 -12.3 -57.2 6.4 34 116 A V E + 0 0 0 22,-3.0 20,-1.7 323,-0.1 22,-0.4 -0.783 52.5 163.3 -75.1 124.0 -15.5 -56.6 4.4 35 117 A I E -E 53 0C 3 -2,-0.6 323,-0.7 18,-0.2 2,-0.3 -0.909 26.7-177.1-137.8 162.0 -17.9 -55.8 7.2 36 118 A R E +E 52 0C 22 16,-1.7 16,-2.0 -2,-0.3 322,-0.0 -0.908 63.8 42.6-145.1-177.3 -21.3 -54.3 7.9 37 119 A E E S+ 0 0 10 -2,-0.3 -1,-0.1 14,-0.2 2,-0.1 0.906 72.0 178.0 49.3 53.4 -23.3 -53.5 11.0 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.435 2.7 174.6 -80.5 163.1 -20.4 -52.2 13.1 39 121 A F E -E 50 0C 3 11,-2.7 11,-3.6 -2,-0.1 2,-0.4 -0.972 24.5-125.3-162.2 157.7 -20.9 -50.8 16.6 40 122 A I E +E 49 0C 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.866 24.5 172.7-110.9 141.1 -19.0 -49.5 19.6 41 123 A S E -E 48 0C 0 7,-2.3 7,-2.8 -2,-0.4 2,-0.3 -0.987 13.5-153.7-144.4 139.0 -19.1 -50.8 23.2 42 124 A b E -E 47 0C 6 283,-0.5 61,-0.5 -2,-0.3 5,-0.3 -0.785 5.2-165.0-113.8 153.9 -16.9 -49.8 26.2 43 125 A S - 0 0 5 3,-3.1 284,-0.3 -2,-0.3 287,-0.1 -0.069 51.4 -81.9-104.8-147.3 -15.8 -51.6 29.4 44 126 A H S S+ 0 0 59 61,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.497 129.0 27.9 -94.2 -6.1 -14.3 -50.0 32.5 45 127 A L S S+ 0 0 133 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.661 123.2 11.1-126.6 -31.7 -10.9 -50.1 30.8 46 128 A E - 0 0 64 2,-0.0 -3,-3.1 34,-0.0 2,-0.4 -0.880 55.1-127.4-144.3 171.5 -11.3 -49.9 27.0 47 129 A b E -E 42 0C 16 -2,-0.3 34,-1.5 -5,-0.3 2,-0.3 -1.000 27.6-169.7-125.1 134.1 -13.6 -49.2 24.1 48 130 A R E -EF 41 80C 15 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.6 -0.909 20.6-134.5-122.0 147.2 -13.9 -51.7 21.2 49 131 A T E -EF 40 79C 5 30,-2.9 30,-2.0 -2,-0.3 2,-0.3 -0.906 23.6-161.9 -93.6 126.1 -15.5 -51.7 17.8 50 132 A F E +EF 39 78C 0 -11,-3.6 -11,-2.7 -2,-0.6 2,-0.3 -0.799 16.1 170.3-101.6 152.0 -17.5 -54.8 17.1 51 133 A F E - F 0 77C 1 26,-2.1 26,-2.2 -2,-0.3 2,-0.7 -0.988 36.4-117.6-157.9 158.8 -18.5 -55.8 13.5 52 134 A L E -EF 36 76C 1 -16,-2.0 -16,-1.7 -2,-0.3 24,-0.2 -0.906 33.8-158.9-104.2 108.9 -20.0 -58.5 11.3 53 135 A T E -E 35 0C 0 22,-2.8 22,-0.4 -2,-0.7 -18,-0.2 -0.278 21.6-141.1 -76.4 168.6 -17.5 -59.7 8.8 54 136 A Q E - 0 0 19 -20,-1.7 20,-0.2 2,-0.4 -19,-0.1 0.105 50.9-108.5-109.1 14.6 -18.4 -61.4 5.6 55 137 A G E S+ 0 0 45 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.903 90.1 96.4 58.2 44.5 -15.3 -63.7 6.1 56 138 A A E S- 0 0 8 -22,-0.4 -22,-3.0 7,-0.1 -2,-0.4 -0.986 70.7-118.7-160.3 149.6 -13.6 -61.9 3.3 57 139 A L E > -E 33 0C 44 -2,-0.3 3,-1.0 -24,-0.3 -24,-0.2 -0.677 37.3 -97.5 -95.5 151.6 -11.1 -59.1 2.6 58 140 A L T 3 S+ 0 0 9 -26,-3.0 -26,-0.2 -2,-0.3 3,-0.1 -0.323 107.6 22.0 -59.6 146.6 -11.8 -55.9 0.6 59 141 A N T 3 S+ 0 0 41 1,-0.2 2,-0.3 326,-0.1 -1,-0.2 0.760 101.6 112.5 61.9 29.2 -10.6 -55.9 -3.0 60 142 A D S X S- 0 0 67 -3,-1.0 3,-2.4 1,-0.0 -1,-0.2 -0.959 80.2-112.9-129.2 150.9 -10.6 -59.8 -3.1 61 143 A K G > S+ 0 0 157 -2,-0.3 3,-1.5 1,-0.3 -2,-0.1 0.717 111.7 66.9 -55.4 -27.4 -12.9 -62.1 -5.1 62 144 A H G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.542 85.1 71.9 -73.5 -7.2 -14.6 -63.4 -1.9 63 145 A S G X S+ 0 0 0 -3,-2.4 3,-1.4 -6,-0.2 293,-0.3 0.505 73.4 119.7 -80.4 -6.1 -16.1 -59.9 -1.4 64 146 A N T < S+ 0 0 108 -3,-1.5 291,-0.2 1,-0.2 290,-0.0 -0.409 78.5 10.5 -61.3 126.5 -18.4 -60.8 -4.3 65 147 A G T > S+ 0 0 40 289,-3.1 3,-1.7 -2,-0.2 -1,-0.2 0.659 79.1 143.5 83.3 17.8 -22.1 -60.7 -3.4 66 148 A T T < + 0 0 8 -3,-1.4 289,-0.1 288,-0.7 -2,-0.1 0.353 52.7 82.1 -78.8 6.5 -21.6 -59.2 0.0 67 149 A V T 3 S+ 0 0 73 287,-0.3 -1,-0.3 282,-0.0 2,-0.1 0.733 72.1 102.2 -71.0 -25.2 -24.8 -57.1 -0.2 68 150 A K < - 0 0 129 -3,-1.7 288,-0.1 1,-0.1 3,-0.1 -0.365 69.1-148.0 -61.0 135.8 -26.4 -60.4 0.9 69 151 A D + 0 0 77 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.840 67.0 37.1 -81.9 -39.7 -27.2 -60.2 4.6 70 152 A R + 0 0 61 3,-0.0 -1,-0.2 -16,-0.0 27,-0.1 -0.970 58.1 142.8-130.7 128.8 -26.9 -63.7 6.1 71 153 A S > - 0 0 27 -2,-0.4 3,-1.1 -3,-0.1 25,-0.1 -0.979 57.1-108.4-154.4 159.7 -24.4 -66.6 5.5 72 154 A P T 3 S+ 0 0 97 0, 0.0 24,-0.0 0, 0.0 -1,-0.0 0.632 115.3 61.4 -64.3 -11.8 -22.6 -69.3 7.4 73 155 A H T 3 S+ 0 0 127 -19,-0.1 2,-0.2 22,-0.1 -20,-0.1 0.651 75.2 106.8 -92.1 -17.3 -19.4 -67.3 6.9 74 156 A R < - 0 0 2 -3,-1.1 22,-1.3 -20,-0.2 2,-0.4 -0.420 49.1-176.8 -62.6 131.8 -20.4 -64.1 8.7 75 157 A T E - G 0 95C 24 -22,-0.4 -22,-2.8 20,-0.2 2,-0.5 -0.989 28.3-123.8-134.2 142.4 -18.6 -63.7 12.1 76 158 A L E +FG 52 94C 0 18,-2.7 17,-2.3 -2,-0.4 18,-2.0 -0.740 42.5 162.8 -78.2 125.0 -18.7 -61.2 15.0 77 159 A M E -FG 51 92C 20 -26,-2.2 -26,-2.1 -2,-0.5 2,-0.3 -0.882 19.9-151.4-135.5 165.8 -15.2 -59.8 15.6 78 160 A S E +FG 50 91C 0 13,-2.3 13,-3.6 -2,-0.3 -28,-0.2 -0.985 13.0 173.1-140.5 155.6 -13.7 -56.8 17.5 79 161 A C E -F 49 0C 0 -30,-2.0 -30,-2.9 -2,-0.3 11,-0.1 -0.948 49.1 -69.0-146.5 164.5 -10.8 -54.5 17.4 80 162 A P E > -F 48 0C 40 0, 0.0 3,-1.6 0, 0.0 -32,-0.2 -0.283 68.5 -89.2 -52.3 140.8 -9.7 -51.3 19.3 81 163 A V T 3 S+ 0 0 37 -34,-1.5 3,-0.1 1,-0.2 -34,-0.1 -0.204 110.1 20.6 -53.4 140.4 -11.8 -48.3 18.3 82 164 A G T 3 S+ 0 0 27 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.359 95.5 116.6 84.0 -6.2 -10.6 -46.2 15.3 83 165 A E S < S- 0 0 85 -3,-1.6 -1,-0.3 6,-0.1 -62,-0.1 -0.714 75.5-104.8 -92.8 145.6 -8.5 -49.0 13.9 84 166 A A - 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