==== 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 23-JUN-05 2BV9 . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR E.J.TAYLOR,A.GOYAL,C.I.P.D.GUERREIRO,J.A.M.PRATES,V.A.MONEY, . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.4 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 . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 0 0 0 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 7 A S 0 0 71 0, 0.0 276,-0.0 0, 0.0 237,-0.0 0.000 360.0 360.0 360.0 132.2 34.8 44.6 18.7 2 8 A G + 0 0 62 2,-0.1 2,-0.1 275,-0.0 275,-0.0 0.509 360.0 124.5-104.0 -12.7 32.1 42.7 16.9 3 9 A L - 0 0 22 1,-0.1 2,-0.3 243,-0.1 243,-0.2 -0.323 51.4-147.2 -62.0 122.4 33.1 39.2 18.1 4 10 A K E -a 246 0A 75 241,-2.2 243,-2.5 -2,-0.1 2,-0.4 -0.640 6.4-144.0 -87.4 143.7 30.2 37.5 19.9 5 11 A I E +a 247 0A 0 -2,-0.3 25,-2.6 241,-0.2 26,-1.5 -0.920 26.1 165.5-112.6 132.9 30.9 35.1 22.8 6 12 A G E -ab 248 31A 0 241,-2.8 243,-2.0 -2,-0.4 2,-0.3 -0.812 11.9-167.5-135.1 175.5 28.9 32.0 23.3 7 13 A A E -ab 249 32A 0 24,-1.3 26,-2.3 241,-0.3 2,-0.6 -0.936 33.1-133.1-160.7 146.1 28.9 28.7 25.3 8 14 A W E -a 250 0A 21 241,-2.2 243,-2.2 -2,-0.3 26,-0.1 -0.921 38.3-151.7 -77.4 118.6 27.4 25.4 25.8 9 15 A V - 0 0 13 -2,-0.6 3,-0.1 2,-0.5 241,-0.1 0.252 39.6 -95.0 -90.9 12.9 27.3 25.8 29.6 10 16 A G S S+ 0 0 20 1,-0.2 2,-0.3 242,-0.1 243,-0.2 0.246 102.1 35.8 98.7 -10.7 27.6 22.2 30.6 11 17 A T S S- 0 0 75 3,-0.1 -2,-0.5 241,-0.1 -1,-0.2 -0.917 109.5 -54.8-155.3 174.4 23.9 21.5 30.8 12 18 A Q - 0 0 57 -2,-0.3 2,-2.3 1,-0.1 5,-0.2 -0.378 67.5-105.4 -56.7 140.0 20.6 22.5 29.2 13 19 A P + 0 0 0 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.398 55.2 162.8 -82.4 71.2 20.5 26.3 29.2 14 20 A S > - 0 0 40 -2,-2.3 4,-2.4 37,-0.1 5,-0.2 -0.288 57.6 -98.1 -66.9 165.7 17.9 27.0 31.9 15 21 A E H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 126.3 48.9 -53.2 -46.0 17.9 30.5 33.4 16 22 A S H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 110.4 49.7 -64.5 -40.1 19.9 29.3 36.4 17 23 A A H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 111.4 48.6 -69.3 -37.2 22.5 27.6 34.2 18 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 113.1 48.0 -63.9 -48.5 23.0 30.6 32.0 19 25 A K H X S+ 0 0 93 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.906 108.9 53.8 -59.4 -46.0 23.3 32.9 35.1 20 26 A S H X S+ 0 0 75 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.903 111.2 45.3 -55.0 -45.6 25.9 30.5 36.7 21 27 A F H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.910 111.4 52.0 -71.6 -38.3 28.1 30.6 33.6 22 28 A Q H X>S+ 0 0 29 -4,-2.4 4,-1.6 2,-0.2 5,-1.0 0.874 109.2 51.1 -61.3 -36.4 27.8 34.4 33.2 23 29 A E H <5S+ 0 0 140 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.917 111.4 49.4 -66.5 -40.3 28.9 34.7 36.9 24 30 A L H <5S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.958 119.5 33.4 -63.7 -53.1 31.8 32.5 36.2 25 31 A Q H <5S- 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.643 101.8-130.0 -81.0 -15.4 33.1 34.2 33.0 26 32 A G T <5S+ 0 0 52 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.810 74.3 86.0 71.7 35.2 32.1 37.7 34.2 27 33 A R S - c 0 64A 56 -2,-0.3 3,-0.9 26,-0.2 0, 0.0 -0.474 38.7 -91.3-109.1-172.7 18.0 15.2 18.2 38 44 A W T 3 S+ 0 0 2 26,-0.9 43,-0.0 1,-0.2 25,-0.0 0.135 121.3 61.8 -93.7 23.0 15.3 14.6 15.4 39 45 A S T 3 S+ 0 0 82 2,-0.1 2,-0.6 42,-0.0 -1,-0.2 0.353 81.3 104.1-111.2 -3.7 12.8 13.3 18.0 40 46 A T < - 0 0 22 -3,-0.9 2,-0.2 2,-0.0 -4,-0.0 -0.696 60.3-152.5 -87.0 118.6 12.8 16.6 19.8 41 47 A D >> - 0 0 52 -2,-0.6 3,-1.7 1,-0.1 4,-0.9 -0.554 26.5-115.0 -82.5 154.8 9.7 18.8 19.2 42 48 A F H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.762 110.5 72.0 -65.7 -24.8 10.1 22.5 19.6 43 49 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.815 97.8 49.6 -59.9 -28.8 7.7 22.5 22.6 44 50 A W H <4 S+ 0 0 107 -3,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.846 112.5 46.9 -75.6 -35.3 10.5 20.9 24.6 45 51 A V H >X S+ 0 0 0 -4,-0.9 4,-2.8 1,-0.2 3,-0.7 0.739 93.1 87.8 -71.5 -23.3 13.0 23.6 23.4 46 52 A R H 3X S+ 0 0 93 -4,-1.7 4,-2.6 1,-0.3 5,-0.2 0.865 84.8 45.8 -52.4 -52.2 10.5 26.3 24.2 47 53 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.848 115.6 48.1 -63.1 -32.3 11.3 26.9 27.8 48 54 A Y H <> S+ 0 0 55 -3,-0.7 4,-2.4 -4,-0.4 -2,-0.2 0.904 109.4 52.2 -72.6 -45.5 15.0 27.0 27.1 49 55 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.936 108.3 52.8 -52.8 -45.6 14.6 29.3 24.2 50 56 A D H X S+ 0 0 68 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.920 108.8 49.1 -60.3 -42.5 12.6 31.7 26.4 51 57 A A H X S+ 0 0 15 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.921 113.7 46.7 -60.7 -44.9 15.4 31.7 29.0 52 58 A V H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.936 116.4 42.3 -65.5 -47.0 18.0 32.4 26.3 53 59 A Y H ><5S+ 0 0 20 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.905 110.8 55.4 -70.6 -36.8 16.0 35.2 24.6 54 60 A N H 3<5S+ 0 0 117 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.886 105.2 56.0 -59.7 -35.1 15.0 36.7 27.9 55 61 A N T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.587 122.4-108.1 -70.6 -14.6 18.7 36.9 28.8 56 62 A G T < 5S+ 0 0 19 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.701 79.6 121.1 89.7 24.4 19.3 38.9 25.6 57 63 A S < - 0 0 6 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.672 61.8-117.9-114.8 165.5 21.1 36.1 23.8 58 64 A I E -c 31 0A 26 -28,-2.4 -26,-2.5 -2,-0.2 2,-0.5 -0.880 27.9-129.0 -99.7 138.7 20.6 34.1 20.5 59 65 A L E -cd 32 96A 0 36,-0.6 38,-2.6 -2,-0.4 2,-0.5 -0.801 16.7-163.3 -87.1 125.1 20.0 30.4 20.7 60 66 A M E -cd 33 97A 0 -28,-2.7 -26,-2.5 -2,-0.5 2,-0.5 -0.969 10.8-163.8-106.0 119.5 22.2 28.1 18.6 61 67 A I E -cd 34 98A 0 36,-2.8 38,-2.9 -2,-0.5 2,-0.6 -0.933 13.3-154.5-108.4 121.3 20.7 24.7 18.2 62 68 A T E -cd 35 99A 0 -28,-2.7 -26,-2.7 -2,-0.5 2,-0.7 -0.882 17.1-158.5 -91.8 121.0 22.7 21.7 17.0 63 69 A W E -cd 36 100A 0 36,-2.1 38,-1.3 -2,-0.6 -26,-0.2 -0.888 5.3-162.9-116.3 96.9 20.1 19.4 15.5 64 70 A E E -c 37 0A 28 -28,-2.9 2,-2.0 -2,-0.7 -26,-0.9 -0.741 9.2-154.1 -96.3 106.7 21.4 15.9 15.4 65 71 A P > + 0 0 1 0, 0.0 3,-0.9 0, 0.0 -28,-0.1 -0.358 37.8 147.0 -83.1 65.3 19.5 13.4 13.1 66 72 A W T 3 S+ 0 0 138 -2,-2.0 3,-0.1 1,-0.2 -29,-0.0 0.826 76.7 55.6 -57.6 -26.5 20.3 10.1 14.8 67 73 A E T 3 S+ 0 0 60 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.628 114.2 32.6 -83.9 -18.9 16.8 9.1 13.6 68 74 A Y < - 0 0 60 -3,-0.9 -1,-0.2 10,-0.0 43,-0.0 -0.941 66.9-150.3-147.1 123.2 17.3 9.8 9.9 69 75 A N > - 0 0 41 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.150 45.3 -89.6 -82.0 178.8 20.4 9.6 7.6 70 76 A T H > S+ 0 0 0 40,-0.2 4,-2.5 2,-0.2 5,-0.2 0.811 127.5 52.9 -65.3 -29.4 20.9 11.8 4.6 71 77 A V H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.953 110.5 47.0 -68.6 -47.9 19.1 9.4 2.3 72 78 A D H 4>S+ 0 0 47 1,-0.2 5,-2.1 2,-0.2 6,-0.5 0.910 116.5 44.9 -57.3 -45.5 16.1 9.3 4.6 73 79 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-0.2 0.963 113.3 47.8 -69.5 -47.6 16.0 13.1 4.9 74 80 A K H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.6 54.9 -63.8 -30.1 16.6 13.9 1.2 75 81 A N T 3<5S- 0 0 100 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.515 118.4-110.6 -80.0 -5.1 13.8 11.4 0.2 76 82 A G T X 5S+ 0 0 23 -3,-1.7 3,-1.6 -4,-0.4 4,-0.3 0.511 76.0 132.7 92.5 10.0 11.3 13.1 2.5 77 83 A K T 3 S+ 0 0 2 -6,-0.5 4,-2.5 -5,-0.2 3,-0.3 0.249 82.2 111.8 -98.3 6.1 11.3 13.2 7.9 79 85 A D H <> S+ 0 0 43 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.827 72.0 53.3 -63.0 -32.8 9.3 15.9 6.3 80 86 A A H > S+ 0 0 75 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.941 113.3 45.4 -63.6 -40.9 6.3 15.9 8.7 81 87 A Y H > S+ 0 0 12 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.912 114.9 47.6 -66.4 -44.9 8.8 16.4 11.6 82 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 111.0 51.6 -61.4 -44.4 10.8 19.1 9.7 83 89 A T H X S+ 0 0 40 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.917 109.9 48.3 -61.5 -46.9 7.6 20.9 8.7 84 90 A R H X S+ 0 0 97 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.915 110.8 51.1 -63.3 -42.1 6.3 21.1 12.2 85 91 A M H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 111.3 48.4 -59.9 -43.1 9.7 22.3 13.5 86 92 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 112.3 48.5 -61.6 -46.0 9.7 25.1 10.9 87 93 A Q H X S+ 0 0 96 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 113.5 46.7 -61.0 -44.5 6.1 26.1 11.7 88 94 A D H X S+ 0 0 45 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.900 113.6 47.5 -66.0 -42.0 6.9 26.2 15.4 89 95 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.907 110.9 52.2 -68.1 -37.0 10.2 28.2 14.9 90 96 A K H < S+ 0 0 112 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.937 110.5 48.1 -60.4 -48.0 8.4 30.6 12.6 91 97 A A H < S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 107.5 54.9 -63.3 -37.3 5.7 31.2 15.2 92 98 A Y H < S- 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 90.2-168.8 -62.0 -41.3 8.3 31.7 17.9 93 99 A G < + 0 0 42 -4,-2.0 -1,-0.1 1,-0.2 -3,-0.1 0.105 35.6 121.9 84.3 -20.2 9.8 34.4 15.6 94 100 A K S S- 0 0 108 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.366 75.6 -88.4 -78.2 157.7 13.1 35.1 17.3 95 101 A E - 0 0 75 -3,-0.1 -36,-0.6 49,-0.1 2,-0.4 -0.511 50.8-177.8 -66.5 124.1 16.4 34.7 15.5 96 102 A I E -de 59 144A 0 47,-2.1 49,-3.0 -2,-0.3 2,-0.7 -0.980 22.4-143.5-126.6 134.8 17.6 31.1 15.9 97 103 A W E -de 60 145A 0 -38,-2.6 -36,-2.8 -2,-0.4 2,-0.5 -0.894 23.9-163.8 -98.4 116.9 20.9 29.7 14.6 98 104 A L E -de 61 146A 0 47,-2.9 49,-2.5 -2,-0.7 -36,-0.2 -0.895 14.0-172.6-114.7 129.5 20.3 26.2 13.5 99 105 A R E +d 62 0A 0 -38,-2.9 -36,-2.1 -2,-0.5 3,-0.4 -0.791 13.8 176.0-124.0 81.5 23.0 23.6 12.8 100 106 A P E +d 63 0A 2 0, 0.0 -36,-0.2 0, 0.0 49,-0.2 -0.598 64.0 11.6 -82.0 151.8 21.6 20.4 11.3 101 107 A L S S- 0 0 0 -38,-1.3 3,-0.5 -2,-0.2 48,-0.2 0.890 88.0-174.8 59.1 45.1 23.8 17.5 10.1 102 108 A H + 0 0 0 -3,-0.4 9,-0.1 1,-0.2 -1,-0.1 -0.195 53.2 19.9 -79.0 164.7 26.9 18.8 11.8 103 109 A E > + 0 0 11 1,-0.1 3,-1.6 2,-0.1 6,-0.3 0.820 68.7 156.7 49.4 41.9 30.5 17.4 11.6 104 110 A A T 3 + 0 0 0 45,-0.5 9,-2.3 -3,-0.5 10,-0.8 0.606 62.8 69.6 -78.2 -6.6 29.7 15.5 8.4 105 111 A N T 3 S+ 0 0 0 7,-0.2 50,-2.6 8,-0.2 -1,-0.3 0.217 93.5 74.8 -89.9 13.1 33.4 15.5 7.5 106 112 A G S < S- 0 0 0 -3,-1.6 8,-1.4 48,-0.2 9,-0.3 -0.394 80.4-130.2-102.6-168.8 33.9 13.1 10.4 107 113 A D S S+ 0 0 68 7,-0.2 9,-0.5 -2,-0.2 49,-0.1 0.243 85.7 79.0-128.7 14.4 33.1 9.4 10.8 108 114 A W S S+ 0 0 92 -5,-0.3 -4,-0.1 7,-0.1 48,-0.0 0.560 77.4 71.3-105.9 -15.7 31.3 9.3 14.1 109 115 A Y S > S- 0 0 38 -6,-0.3 3,-2.2 1,-0.1 6,-0.2 -0.864 78.8-129.1-104.3 143.2 27.8 10.5 13.2 110 116 A P T 3 S+ 0 0 21 0, 0.0 -40,-0.2 0, 0.0 9,-0.1 0.590 109.3 50.9 -69.9 -5.6 25.4 8.3 11.2 111 117 A W T 3 S+ 0 0 0 -42,-0.2 2,-0.1 -9,-0.1 -7,-0.1 0.337 88.8 111.8-100.6 -3.7 24.7 11.2 8.8 112 118 A A S X S- 0 0 0 -3,-2.2 3,-1.1 1,-0.1 8,-0.4 -0.447 72.6-129.2 -80.6 149.1 28.4 11.9 8.2 113 119 A I T 3 S+ 0 0 14 -9,-2.3 -8,-0.2 1,-0.3 7,-0.1 0.882 110.6 51.1 -61.0 -38.6 30.1 11.3 4.8 114 120 A G T 3 S+ 0 0 4 -8,-1.4 43,-0.5 -10,-0.8 -1,-0.3 0.552 82.0 123.4 -77.0 -6.5 32.9 9.4 6.6 115 121 A Y X - 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