==== 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 LYASE 26-JUN-00 1F74 . COMPND 2 MOLECULE: N-ACETYL-NEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.A.R.G.BARBOSA,B.J.SMITH,R.DEGORI,M.C.LAWRENCE . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 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-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 . 33 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 0 0 2 0 0 0 3 2 1 2 4 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 4 8 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 1 A M 0 0 157 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 159.7 20.7 23.4 -2.2 2 2 A R - 0 0 109 1,-0.1 2,-0.1 99,-0.1 73,-0.0 -0.346 360.0-102.8 -55.7 126.8 17.2 24.9 -2.2 3 3 A D - 0 0 93 1,-0.1 -1,-0.1 -2,-0.1 72,-0.1 -0.295 37.2-175.3 -55.2 125.8 16.4 25.9 1.4 4 4 A L + 0 0 5 -3,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.287 45.5 111.0-108.4 9.8 14.1 23.4 3.1 5 5 A K + 0 0 92 198,-0.1 198,-0.2 35,-0.1 2,-0.2 -0.340 57.8 29.9 -78.3 166.5 13.6 25.2 6.4 6 6 A G E S-a 203 0A 8 196,-2.2 198,-2.5 -2,-0.1 2,-0.6 -0.588 98.2 -2.4 99.3-153.2 10.4 26.9 7.5 7 7 A I E +a 204 0A 2 -2,-0.2 33,-2.4 196,-0.2 34,-1.4 -0.722 53.9 177.6 -94.2 115.8 6.7 26.3 7.0 8 8 A F E -ab 205 41A 0 196,-2.8 198,-2.0 -2,-0.6 2,-0.4 -0.974 20.6-143.4-118.2 121.1 5.6 23.5 4.7 9 9 A S E -ab 206 42A 0 32,-1.7 34,-2.8 -2,-0.5 2,-1.0 -0.679 19.6-128.0 -79.4 135.0 1.9 22.7 4.1 10 10 A A E - b 0 43A 6 196,-2.5 200,-0.2 -2,-0.4 34,-0.2 -0.769 43.2-117.3 -80.0 102.3 1.3 18.9 3.7 11 11 A L - 0 0 2 32,-1.9 34,-0.3 -2,-1.0 35,-0.2 -0.307 23.1-146.8 -53.3 124.5 -0.6 19.3 0.5 12 12 A L - 0 0 0 195,-0.1 2,-0.4 -2,-0.1 37,-0.2 -0.535 14.3-138.5 -83.9 154.8 -4.3 18.3 0.4 13 13 A V - 0 0 1 35,-0.4 2,-0.5 -2,-0.2 10,-0.1 -0.917 7.0-131.8-119.1 140.9 -5.6 16.8 -2.9 14 14 A S - 0 0 0 -2,-0.4 8,-2.9 8,-0.3 2,-0.4 -0.791 25.8-168.1 -90.6 128.3 -9.0 17.5 -4.4 15 15 A F B -Ij 21 266B 0 252,-1.0 252,-3.0 250,-0.5 6,-0.2 -0.906 17.3-125.5-117.5 150.3 -11.0 14.5 -5.5 16 16 A N > - 0 0 59 4,-3.3 3,-2.0 -2,-0.4 6,-0.1 -0.282 41.1 -94.7 -77.7 172.8 -14.1 14.2 -7.7 17 17 A E T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 257,-0.1 0.862 127.4 53.4 -59.0 -33.8 -17.2 12.4 -6.4 18 18 A D T 3 S- 0 0 124 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.424 122.1-105.1 -83.5 3.0 -16.0 9.2 -8.2 19 19 A G S < S+ 0 0 11 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.340 77.9 130.7 93.4 -8.9 -12.6 9.3 -6.4 20 20 A T - 0 0 60 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.374 68.8 -89.2 -75.5 159.5 -10.6 10.5 -9.4 21 21 A I B -I 15 0B 14 -6,-0.2 2,-0.9 -3,-0.1 -6,-0.2 -0.491 28.3-144.1 -68.4 135.8 -8.2 13.5 -9.0 22 22 A N > - 0 0 21 -8,-2.9 4,-2.6 -2,-0.2 -8,-0.3 -0.849 16.9-171.8 -98.3 98.4 -9.7 16.9 -9.7 23 23 A E H > S+ 0 0 60 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.889 81.5 51.0 -63.1 -41.7 -6.8 18.6 -11.3 24 24 A K H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 112.9 46.2 -61.2 -42.9 -8.4 22.1 -11.4 25 25 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 110.3 53.3 -66.4 -40.4 -9.2 21.9 -7.7 26 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.933 107.8 51.1 -61.2 -40.9 -5.7 20.6 -6.8 27 27 A R H X S+ 0 0 46 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.903 108.0 52.8 -63.4 -36.9 -4.2 23.6 -8.6 28 28 A Q H X S+ 0 0 63 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.879 107.8 50.8 -65.9 -38.0 -6.5 25.9 -6.6 29 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 111.7 47.8 -62.8 -44.0 -5.3 24.3 -3.3 30 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.943 112.3 48.5 -60.4 -49.5 -1.6 24.8 -4.4 31 31 A R H X S+ 0 0 62 -4,-2.7 4,-3.1 1,-0.2 5,-0.5 0.892 109.4 53.2 -58.7 -43.5 -2.3 28.4 -5.4 32 32 A H H X>S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 5,-2.2 0.937 110.6 47.6 -57.5 -46.4 -4.0 29.0 -2.1 33 33 A N H <5S+ 0 0 0 -4,-2.2 6,-1.9 3,-0.2 -2,-0.2 0.898 119.2 38.3 -62.2 -43.0 -1.0 27.7 -0.2 34 34 A I H <5S+ 0 0 10 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.959 126.8 31.5 -74.3 -51.7 1.5 29.7 -2.2 35 35 A D H <5S+ 0 0 58 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.779 134.3 20.4 -81.0 -32.3 -0.4 33.0 -2.6 36 36 A K T <5S+ 0 0 137 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.784 126.7 43.3-107.4 -43.1 -2.5 33.2 0.6 37 37 A M S >S- 0 0 1 -3,-0.5 5,-1.4 -35,-0.2 3,-0.9 -0.182 77.4 -78.9 -88.9-172.1 2.2 12.6 2.4 47 47 A S G > 5S+ 0 0 55 1,-0.3 3,-1.9 2,-0.2 5,-0.1 0.908 129.5 57.1 -52.0 -45.2 -0.5 11.3 4.7 48 48 A T G 3 5S+ 0 0 18 1,-0.3 -35,-0.4 2,-0.1 -1,-0.3 0.780 98.4 59.7 -63.8 -27.5 -2.5 14.6 4.3 49 49 A G G < 5S- 0 0 1 -3,-0.9 -1,-0.3 -37,-0.2 -2,-0.2 0.285 112.6-119.2 -81.0 5.5 -2.6 14.2 0.5 50 50 A E T X 5 + 0 0 4 -3,-1.9 3,-1.6 -4,-0.1 -3,-0.2 0.740 60.7 156.1 61.8 28.0 -4.5 10.8 1.0 51 51 A N G > < + 0 0 4 -5,-1.4 3,-1.9 1,-0.3 -4,-0.1 0.805 57.0 59.9 -51.7 -44.3 -1.5 9.3 -0.8 52 52 A F G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -6,-0.1 -5,-0.1 0.625 99.1 58.2 -73.5 -8.0 -1.8 5.7 0.6 53 53 A M G < S+ 0 0 45 -3,-1.6 -1,-0.3 2,-0.1 2,-0.2 0.361 98.1 84.7 -95.9 4.1 -5.3 5.2 -0.8 54 54 A L S < S- 0 0 14 -3,-1.9 2,-0.1 -4,-0.1 -4,-0.0 -0.655 77.6-110.2-111.3 162.8 -4.1 5.9 -4.4 55 55 A S > - 0 0 54 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.409 35.9-108.1 -81.1 164.7 -2.5 4.1 -7.3 56 56 A T H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 122.1 52.6 -59.1 -41.1 1.1 4.6 -8.4 57 57 A E H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 108.4 49.6 -64.2 -38.2 -0.2 6.4 -11.5 58 58 A E H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 109.2 52.2 -66.8 -40.1 -2.4 8.7 -9.4 59 59 A K H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 109.8 49.3 -61.7 -41.1 0.6 9.6 -7.2 60 60 A K H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.932 108.5 53.6 -63.1 -41.3 2.6 10.4 -10.3 61 61 A E H X S+ 0 0 66 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.902 108.8 48.6 -59.1 -43.6 -0.2 12.6 -11.5 62 62 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.917 110.9 50.5 -65.0 -40.6 -0.3 14.6 -8.3 63 63 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.914 112.5 47.8 -61.0 -42.6 3.5 15.0 -8.4 64 64 A R H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.939 113.8 45.7 -61.9 -50.7 3.2 16.3 -12.0 65 65 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.920 112.1 50.4 -61.9 -45.2 0.4 18.7 -11.2 66 66 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.910 113.9 44.5 -62.0 -42.9 2.0 20.1 -8.1 67 67 A K H X S+ 0 0 45 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.905 113.8 50.1 -70.1 -37.1 5.3 20.8 -9.8 68 68 A D H < S+ 0 0 74 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 117.4 39.8 -68.5 -35.1 3.6 22.3 -12.9 69 69 A E H < S+ 0 0 39 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.919 122.9 38.2 -79.6 -44.5 1.5 24.6 -10.8 70 70 A A H >< S+ 0 0 1 -4,-2.7 3,-2.2 -5,-0.3 4,-0.3 0.821 82.4 172.8 -75.9 -29.0 4.1 25.6 -8.2 71 71 A K T 3< S- 0 0 118 -4,-2.3 -1,-0.2 -5,-0.3 3,-0.1 -0.424 70.4 -36.2 53.9-122.8 6.9 25.7 -10.8 72 72 A D T 3 S+ 0 0 121 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.099 110.3 105.9-115.5 20.3 9.9 27.2 -8.9 73 73 A Q S < S+ 0 0 109 -3,-2.2 2,-0.3 2,-0.0 -2,-0.1 0.824 87.9 13.3 -68.4 -33.5 8.1 29.6 -6.7 74 74 A I S S- 0 0 10 -4,-0.3 -33,-0.2 -3,-0.1 2,-0.2 -0.850 90.0 -85.2-135.2 171.2 8.4 27.5 -3.5 75 75 A A E -c 41 0A 1 -35,-2.3 -33,-2.1 -2,-0.3 2,-0.4 -0.518 41.4-157.2 -76.6 147.9 10.4 24.6 -2.2 76 76 A L E -c 42 0A 0 -35,-0.2 25,-1.8 -2,-0.2 26,-1.0 -0.988 10.6-171.3-134.9 123.4 8.9 21.1 -2.9 77 77 A I E -cd 43 102A 0 -35,-2.5 -33,-3.0 -2,-0.4 2,-0.6 -0.959 14.2-147.7-110.6 135.0 9.5 17.9 -1.0 78 78 A A E -cd 44 103A 0 24,-2.5 26,-2.2 -2,-0.4 2,-0.6 -0.924 1.7-151.3-107.2 118.5 8.1 14.6 -2.5 79 79 A Q E + d 0 104A 0 -35,-3.2 26,-0.2 -2,-0.6 24,-0.0 -0.792 28.1 160.9 -84.2 121.1 7.0 11.8 -0.1 80 80 A V + 0 0 0 24,-2.6 12,-0.2 -2,-0.6 11,-0.2 0.236 21.7 133.0-127.2 9.1 7.6 8.6 -2.0 81 81 A G + 0 0 0 23,-0.5 2,-0.3 10,-0.1 26,-0.1 -0.179 23.0 155.3 -66.4 154.8 7.6 6.0 0.8 82 82 A S - 0 0 10 24,-0.3 -2,-0.1 1,-0.1 6,-0.0 -0.971 57.3-109.0-164.1 172.5 5.7 2.8 0.4 83 83 A V S S+ 0 0 51 -2,-0.3 2,-0.8 25,-0.2 3,-0.1 0.751 110.5 71.8 -81.8 -25.0 5.6 -0.9 1.7 84 84 A N > - 0 0 86 1,-0.2 4,-2.2 -3,-0.1 3,-0.2 -0.814 69.3-167.6 -92.3 104.3 6.7 -1.7 -1.9 85 85 A L H > S+ 0 0 47 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.837 88.0 57.6 -63.5 -32.8 10.3 -0.6 -2.2 86 86 A K H > S+ 0 0 171 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 108.4 47.9 -64.7 -38.0 10.2 -0.9 -6.0 87 87 A E H > S+ 0 0 19 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.925 109.6 52.1 -66.9 -44.4 7.3 1.5 -6.0 88 88 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 110.9 47.7 -59.1 -40.3 9.2 3.9 -3.7 89 89 A V H X S+ 0 0 20 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.942 111.9 50.0 -67.7 -42.8 12.2 3.8 -6.1 90 90 A E H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.941 115.2 42.8 -59.1 -46.6 9.9 4.4 -9.1 91 91 A L H X S+ 0 0 1 -4,-3.0 4,-3.0 -11,-0.2 5,-0.2 0.877 112.7 53.2 -68.4 -38.8 8.2 7.4 -7.4 92 92 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.901 110.3 47.9 -61.9 -42.7 11.6 8.7 -6.1 93 93 A K H X S+ 0 0 75 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.925 113.3 47.7 -63.8 -43.2 13.0 8.6 -9.7 94 94 A Y H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 112.7 47.2 -64.1 -46.9 9.9 10.4 -11.1 95 95 A A H X>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 4,-0.6 0.886 112.9 50.5 -64.0 -36.4 9.9 13.1 -8.5 96 96 A T H ><5S+ 0 0 41 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.950 109.5 50.4 -62.8 -46.5 13.7 13.6 -9.0 97 97 A E H 3<5S+ 0 0 144 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.2 54.8 -60.4 -34.9 13.1 13.9 -12.8 98 98 A L H 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.647 121.8-106.6 -74.0 -16.5 10.4 16.5 -12.2 99 99 A G T <<5 + 0 0 36 -3,-1.5 -3,-0.2 -4,-0.6 -23,-0.1 0.601 54.1 169.3 102.3 11.8 12.8 18.6 -10.2 100 100 A Y < - 0 0 12 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.2 -0.268 36.8-131.3 -56.6 145.7 11.5 18.1 -6.6 101 101 A D S S- 0 0 54 -25,-1.8 2,-0.3 1,-0.2 31,-0.3 0.798 78.0 -7.1 -73.5 -27.6 14.0 19.6 -4.1 102 102 A C E -d 77 0A 1 -26,-1.0 -24,-2.5 29,-0.1 2,-0.3 -0.976 63.7-126.0-161.2 157.2 14.2 16.5 -1.8 103 103 A L E -de 78 133A 0 29,-2.3 31,-1.8 -2,-0.3 2,-0.3 -0.707 19.7-171.4-102.8 162.8 12.6 13.2 -1.3 104 104 A S E -de 79 134A 0 -26,-2.2 -24,-2.6 -2,-0.3 -23,-0.5 -0.957 4.0-164.9-142.1 158.9 11.0 11.9 2.0 105 105 A A - 0 0 0 29,-1.6 31,-0.4 -2,-0.3 -26,-0.1 -0.958 18.1-128.7-155.5 129.0 9.8 8.4 2.8 106 106 A V - 0 0 23 -2,-0.3 -24,-0.3 1,-0.1 3,-0.1 -0.268 47.3 -90.5 -60.8 152.7 7.6 6.9 5.5 107 107 A T - 0 0 16 30,-0.2 -1,-0.1 1,-0.1 11,-0.0 -0.523 55.8 -94.5 -59.1 138.2 9.1 3.9 7.3 108 108 A P - 0 0 10 0, 0.0 5,-0.3 0, 0.0 -25,-0.2 -0.300 60.5-172.7 -54.7 137.3 7.9 0.8 5.4 109 109 A F + 0 0 83 3,-0.1 2,-2.4 -3,-0.1 3,-0.0 -0.417 47.5 60.0-124.5-163.0 4.8 -0.4 7.2 110 110 A Y S S+ 0 0 192 -2,-0.1 2,-0.1 3,-0.0 -1,-0.0 -0.456 106.7 56.3 71.9 -66.7 2.1 -3.1 7.5 111 111 A Y S S- 0 0 150 -2,-2.4 2,-0.6 1,-0.0 0, 0.0 -0.456 97.9-107.7 -81.5 164.1 4.8 -5.6 8.4 112 112 A K - 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