==== 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 21-JUN-00 1F6K . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.A.R.G.BARBOSA,B.J.SMITH,R.DEGORI,M.C.LAWRENCE . 578 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 13.0 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.6 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 0 2 0 2 0 2 2 0 2 4 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 8 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 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 0 159 0, 0.0 3,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 155.9 20.6 23.5 -2.1 2 2 A R - 0 0 106 1,-0.1 2,-0.0 99,-0.1 0, 0.0 -0.287 360.0-102.3 -51.2 128.3 17.2 25.1 -2.1 3 3 A D - 0 0 94 1,-0.1 -1,-0.1 72,-0.0 72,-0.1 -0.296 37.3-174.5 -57.3 130.9 16.5 26.1 1.5 4 4 A L + 0 0 4 -3,-0.1 -1,-0.1 71,-0.1 -2,-0.1 0.326 46.7 108.2-112.1 8.8 14.1 23.6 3.1 5 5 A K + 0 0 91 198,-0.1 2,-0.3 35,-0.1 198,-0.2 -0.311 56.5 35.1 -80.5 168.1 13.6 25.3 6.4 6 6 A G E S-a 203 0A 9 196,-2.1 198,-2.6 -2,-0.1 2,-0.6 -0.662 97.1 -5.6 101.3-156.8 10.5 27.1 7.5 7 7 A I E +a 204 0A 1 -2,-0.3 33,-2.4 196,-0.2 34,-1.3 -0.804 56.2 176.5 -94.2 115.4 6.7 26.6 7.1 8 8 A F E -ab 205 41A 1 196,-2.9 198,-2.2 -2,-0.6 2,-0.4 -0.975 21.9-140.6-119.8 130.0 5.6 23.8 4.9 9 9 A S E -ab 206 42A 0 32,-1.7 34,-2.7 -2,-0.4 2,-0.9 -0.731 19.7-127.2 -83.1 140.2 1.9 22.9 4.3 10 10 A A E - b 0 43A 6 196,-2.1 2,-0.2 -2,-0.4 200,-0.2 -0.808 43.1-117.3 -83.0 104.8 1.3 19.2 4.1 11 11 A L - 0 0 2 32,-2.4 34,-0.3 -2,-0.9 2,-0.2 -0.402 23.9-150.0 -57.5 125.4 -0.6 19.4 0.8 12 12 A L - 0 0 1 -2,-0.2 2,-0.4 195,-0.1 37,-0.2 -0.572 15.1-137.7 -85.3 152.8 -4.3 18.3 0.8 13 13 A V - 0 0 2 35,-0.4 2,-0.5 -2,-0.2 10,-0.1 -0.922 5.7-132.0-118.6 141.5 -5.6 16.9 -2.5 14 14 A S - 0 0 0 -2,-0.4 8,-2.7 8,-0.3 2,-0.3 -0.779 26.9-169.4 -91.8 124.0 -9.0 17.6 -4.1 15 15 A F B -Ij 21 266B 0 252,-1.1 252,-2.8 250,-0.5 6,-0.2 -0.887 18.7-124.8-112.3 152.5 -10.9 14.5 -5.2 16 16 A N > - 0 0 58 4,-3.4 3,-2.0 -2,-0.3 6,-0.1 -0.366 41.1 -95.5 -79.9 170.5 -14.0 14.2 -7.4 17 17 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 257,-0.1 0.832 126.3 53.4 -58.2 -31.3 -17.0 12.3 -6.0 18 18 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 251,-0.1 3,-0.1 0.401 122.5-103.4 -86.4 2.2 -15.8 9.1 -7.8 19 19 A G S < S+ 0 0 9 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.318 79.0 128.4 97.5 -12.2 -12.4 9.3 -6.2 20 20 A T - 0 0 60 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.379 69.8 -88.2 -73.3 161.0 -10.4 10.6 -9.2 21 21 A I B -I 15 0B 13 -6,-0.2 2,-1.0 -3,-0.1 -6,-0.3 -0.489 27.3-143.3 -71.3 136.4 -8.1 13.6 -8.8 22 22 A N > - 0 0 21 -8,-2.7 4,-2.5 -2,-0.2 -8,-0.3 -0.848 18.9-172.8 -95.8 93.6 -9.8 17.0 -9.3 23 23 A E H > S+ 0 0 66 -2,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.896 80.4 51.3 -60.0 -43.5 -6.8 18.7 -11.0 24 24 A K H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 113.6 45.4 -59.2 -43.7 -8.4 22.2 -11.1 25 25 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 110.2 54.1 -67.6 -40.7 -9.2 22.0 -7.4 26 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -12,-0.2 -1,-0.2 0.934 108.3 49.8 -57.9 -46.2 -5.7 20.7 -6.5 27 27 A R H X S+ 0 0 45 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.920 108.3 53.4 -59.8 -41.2 -4.2 23.7 -8.3 28 28 A Q H X S+ 0 0 59 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.862 108.1 50.3 -62.3 -36.1 -6.5 26.0 -6.3 29 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 111.6 48.5 -65.6 -42.1 -5.3 24.4 -3.1 30 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.959 112.2 48.3 -62.3 -46.2 -1.7 24.9 -4.2 31 31 A R H X S+ 0 0 60 -4,-3.0 4,-3.0 1,-0.2 5,-0.5 0.876 108.9 53.6 -61.6 -41.4 -2.3 28.5 -5.1 32 32 A H H X>S+ 0 0 21 -4,-2.2 5,-2.2 1,-0.2 4,-2.1 0.933 110.5 47.5 -59.9 -44.5 -4.0 29.2 -1.8 33 33 A N H <5S+ 0 0 0 -4,-2.3 6,-1.9 3,-0.2 -2,-0.2 0.904 119.5 37.8 -63.1 -42.1 -1.0 27.8 0.1 34 34 A I H <5S+ 0 0 11 -4,-2.3 -2,-0.2 4,-0.2 4,-0.2 0.955 126.9 32.2 -75.9 -50.8 1.5 29.8 -1.9 35 35 A D H <5S+ 0 0 58 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.765 134.7 19.0 -79.9 -32.4 -0.4 33.1 -2.4 36 36 A K T <5S+ 0 0 136 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.777 126.0 45.1-109.5 -43.5 -2.4 33.4 0.8 37 37 A M S >S- 0 0 3 -3,-0.4 5,-1.3 -35,-0.2 3,-1.0 -0.145 77.8 -78.8 -88.4-170.0 2.2 12.6 2.7 47 47 A S G > 5S+ 0 0 17 1,-0.3 3,-2.0 2,-0.2 5,-0.1 0.919 129.6 57.1 -56.3 -44.0 -0.5 11.2 5.0 48 48 A T G 3 5S+ 0 0 21 1,-0.3 -35,-0.4 2,-0.1 -1,-0.3 0.763 98.1 60.6 -60.2 -27.1 -2.5 14.5 4.6 49 49 A G G < 5S- 0 0 2 -3,-1.0 -1,-0.3 -37,-0.2 -2,-0.2 0.312 113.5-118.6 -82.0 3.6 -2.6 14.2 0.9 50 50 A E T X 5 + 0 0 4 -3,-2.0 3,-1.5 -4,-0.1 -3,-0.2 0.712 62.7 153.8 65.5 24.5 -4.5 10.8 1.3 51 51 A N G > < + 0 0 4 -5,-1.3 3,-2.1 1,-0.3 -4,-0.1 0.802 55.5 61.5 -50.5 -48.0 -1.5 9.2 -0.4 52 52 A F G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -6,-0.1 -5,-0.1 0.605 99.7 56.0 -68.7 -8.7 -1.7 5.7 1.0 53 53 A M G < S+ 0 0 45 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.319 97.7 88.2 -97.3 4.9 -5.2 5.1 -0.5 54 54 A L S < S- 0 0 15 -3,-2.1 2,-0.1 -4,-0.1 -4,-0.0 -0.675 76.2-112.0-108.3 164.7 -4.0 5.9 -4.0 55 55 A S > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.377 35.8-107.7 -82.0 168.4 -2.5 4.0 -6.9 56 56 A T H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.925 121.4 51.1 -62.2 -40.4 1.1 4.6 -8.1 57 57 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 108.7 51.1 -67.0 -35.8 -0.2 6.4 -11.2 58 58 A E H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 109.2 50.5 -65.5 -41.2 -2.4 8.7 -9.1 59 59 A K H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 110.2 50.5 -62.2 -41.0 0.5 9.5 -6.9 60 60 A K H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 108.0 53.2 -62.6 -40.6 2.5 10.4 -10.0 61 61 A E H X S+ 0 0 64 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.894 108.5 49.1 -61.5 -42.4 -0.3 12.6 -11.3 62 62 A I H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.897 110.5 51.1 -64.2 -40.7 -0.4 14.6 -8.0 63 63 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 112.1 47.5 -61.1 -43.2 3.4 15.0 -8.2 64 64 A R H X S+ 0 0 91 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.946 113.8 45.7 -62.3 -50.5 3.1 16.3 -11.7 65 65 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.910 112.5 50.7 -60.3 -46.5 0.3 18.7 -11.0 66 66 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.909 114.1 43.3 -62.3 -42.1 1.9 20.1 -7.8 67 67 A K H X S+ 0 0 42 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.900 113.5 51.5 -71.7 -37.2 5.2 20.8 -9.6 68 68 A D H < S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.844 117.1 39.9 -65.6 -35.4 3.6 22.3 -12.7 69 69 A E H < S+ 0 0 39 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 122.9 37.2 -79.6 -44.5 1.5 24.6 -10.5 70 70 A A H >< S+ 0 0 1 -4,-2.7 3,-2.2 -5,-0.2 4,-0.3 0.796 83.0 172.1 -77.0 -27.4 4.1 25.6 -7.9 71 71 A K T 3< - 0 0 115 -4,-2.1 -1,-0.2 -5,-0.3 3,-0.1 -0.355 68.8 -36.1 51.5-120.6 6.9 25.7 -10.5 72 72 A D T 3 S+ 0 0 121 1,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.220 110.7 104.0-115.9 15.3 10.0 27.1 -8.7 73 73 A Q S < S+ 0 0 111 -3,-2.2 2,-0.3 2,-0.0 -2,-0.1 0.803 89.0 14.5 -67.6 -33.0 8.2 29.7 -6.5 74 74 A I S S- 0 0 11 -4,-0.3 -33,-0.2 -3,-0.1 2,-0.2 -0.831 90.9 -86.1-133.0 172.2 8.5 27.7 -3.3 75 75 A A E -c 41 0A 2 -35,-2.3 -33,-1.9 -2,-0.3 2,-0.4 -0.525 41.5-157.7 -77.6 149.8 10.5 24.7 -2.0 76 76 A L E -c 42 0A 0 -35,-0.2 25,-1.5 -2,-0.2 26,-1.0 -0.991 11.0-171.7-137.1 125.7 8.9 21.2 -2.7 77 77 A I E -cd 43 102A 0 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.6 -0.954 13.9-148.1-114.3 136.5 9.5 17.9 -0.8 78 78 A A E -cd 44 103A 0 24,-2.4 26,-2.1 -2,-0.4 2,-0.6 -0.933 2.3-151.1-109.9 119.5 8.1 14.7 -2.2 79 79 A Q E + d 0 104A 0 -35,-3.1 26,-0.2 -2,-0.6 24,-0.0 -0.791 27.8 161.4 -86.2 119.1 7.0 11.9 0.2 80 80 A V + 0 0 1 24,-2.7 11,-0.2 -2,-0.6 12,-0.2 0.256 22.6 132.8-123.4 6.1 7.5 8.7 -1.7 81 81 A G + 0 0 0 23,-0.6 2,-0.3 10,-0.1 26,-0.1 -0.217 21.7 151.9 -65.0 147.5 7.6 6.1 1.1 82 82 A S - 0 0 11 24,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.952 58.2-106.8-160.4 173.4 5.6 2.9 0.8 83 83 A V S S+ 0 0 49 -2,-0.3 2,-0.9 25,-0.1 3,-0.1 0.738 109.6 74.1 -83.0 -20.9 5.6 -0.7 2.1 84 84 A N > - 0 0 85 1,-0.2 4,-2.1 2,-0.1 3,-0.2 -0.810 68.9-167.7 -94.9 108.7 6.6 -1.6 -1.5 85 85 A L H > S+ 0 0 46 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.846 86.8 57.6 -64.4 -33.3 10.2 -0.5 -1.8 86 86 A K H > S+ 0 0 175 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 108.2 47.3 -64.1 -39.4 10.1 -0.9 -5.7 87 87 A E H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.902 109.8 53.3 -65.9 -43.9 7.2 1.6 -5.7 88 88 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.903 110.5 46.8 -59.8 -40.5 9.1 4.0 -3.5 89 89 A V H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.930 112.0 50.8 -67.9 -40.7 12.1 3.9 -5.8 90 90 A E H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.922 114.5 43.3 -60.7 -46.0 9.8 4.4 -8.9 91 91 A L H X S+ 0 0 1 -4,-3.0 4,-3.1 -11,-0.2 5,-0.2 0.873 112.3 52.8 -68.0 -38.2 8.1 7.4 -7.2 92 92 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.902 109.6 49.3 -65.6 -39.8 11.4 8.8 -6.0 93 93 A K H X S+ 0 0 83 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.924 113.1 47.4 -63.7 -42.9 12.9 8.6 -9.5 94 94 A Y H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 112.7 47.1 -63.8 -47.3 9.8 10.4 -10.9 95 95 A A H X>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 4,-0.7 0.896 112.7 51.1 -63.8 -35.6 9.8 13.1 -8.3 96 96 A T H ><5S+ 0 0 42 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.944 109.0 50.8 -64.5 -46.4 13.6 13.6 -8.9 97 97 A E H 3<5S+ 0 0 146 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.1 54.3 -59.6 -36.3 13.0 13.9 -12.6 98 98 A L H 3<5S- 0 0 48 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.636 121.7-106.0 -72.5 -16.9 10.3 16.5 -12.1 99 99 A G T <<5 + 0 0 35 -3,-1.3 -3,-0.2 -4,-0.7 -23,-0.1 0.564 54.1 169.5 103.3 11.2 12.7 18.6 -10.0 100 100 A Y < - 0 0 12 -5,-2.2 -1,-0.2 1,-0.1 -23,-0.1 -0.215 35.8-132.7 -53.7 144.6 11.5 18.1 -6.4 101 101 A D S S- 0 0 55 -25,-1.5 31,-0.3 1,-0.2 2,-0.3 0.844 77.7 -4.5 -75.2 -29.6 14.1 19.6 -4.1 102 102 A C E -d 77 0A 1 -26,-1.0 -24,-2.4 29,-0.1 2,-0.2 -0.983 64.6-127.3-156.9 156.5 14.2 16.6 -1.7 103 103 A L E -de 78 133A 1 29,-2.3 31,-1.5 -2,-0.3 2,-0.3 -0.684 19.5-169.8-101.1 165.8 12.6 13.3 -1.1 104 104 A S E -de 79 134A 0 -26,-2.1 -24,-2.7 29,-0.2 -23,-0.6 -0.961 2.9-166.1-145.3 153.1 11.0 12.0 2.1 105 105 A A E - e 0 135A 0 29,-1.7 31,-2.1 -2,-0.3 -26,-0.0 -0.954 19.8-126.3-151.7 130.0 9.8 8.5 3.1 106 106 A V E - e 0 136A 4 -2,-0.3 -24,-0.3 29,-0.2 31,-0.2 -0.293 46.8 -93.1 -61.5 148.3 7.7 7.1 5.9 107 107 A T - 0 0 3 29,-1.2 -1,-0.1 1,-0.1 37,-0.1 -0.460 57.0 -92.7 -59.3 135.5 9.3 4.2 7.8 108 108 A P - 0 0 6 0, 0.0 5,-0.3 0, 0.0 -25,-0.1 -0.330 60.3-169.9 -51.2 134.0 8.1 1.0 6.0 109 109 A F + 0 0 59 3,-0.1 2,-2.1 -3,-0.1 33,-0.1 -0.423 46.7 48.5-121.9-167.9 5.0 -0.1 7.8 110 110 A Y S S+ 0 0 182 32,-0.3 2,-0.1 -2,-0.1 -1,-0.0 -0.492 104.2 62.9 73.7 -75.9 2.4 -3.0 8.3 111 111 A Y S S- 0 0 151 -2,-2.1 2,-1.4 1,-0.1 0, 0.0 -0.397 98.7-111.5 -69.4 157.0 5.1 -5.6 8.6 112 112 A K - 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