==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-06 2CIP . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR V.A.MONEY,N.L.SMITH,A.SCAFFIDI,R.V.STICK,H.J.GILBERT, . 273 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.6 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 2 1 1 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 . 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 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 0 176 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 15.6 19.4 15.4 -5.2 2 8 A G - 0 0 62 1,-0.1 2,-0.2 242,-0.0 0, 0.0 -0.296 360.0 -76.8 -68.1 161.6 17.3 14.8 -2.1 3 9 A L - 0 0 20 1,-0.1 2,-0.3 241,-0.1 241,-0.2 -0.432 50.0-128.6 -56.9 124.7 16.8 17.5 0.5 4 10 A K E -a 244 0A 73 239,-2.6 241,-2.7 -2,-0.2 2,-0.5 -0.654 17.8-140.7 -80.9 140.9 20.0 17.9 2.6 5 11 A I E +a 245 0A 0 -2,-0.3 25,-2.2 239,-0.2 26,-1.6 -0.875 30.4 163.1-106.7 123.4 19.4 17.9 6.3 6 12 A G E -ab 246 31A 0 239,-2.9 241,-2.2 -2,-0.5 2,-0.3 -0.869 13.3-171.2-131.2 172.3 21.3 20.2 8.5 7 13 A A E -ab 247 32A 0 24,-1.5 26,-2.6 239,-0.3 2,-0.6 -0.962 33.1-136.7-159.4 148.6 21.4 21.8 11.9 8 14 A W E -a 248 0A 20 239,-2.3 241,-2.5 -2,-0.3 26,-0.1 -0.935 35.9-152.4 -83.3 124.3 22.9 24.3 14.3 9 15 A V - 0 0 15 -2,-0.6 3,-0.1 2,-0.5 239,-0.1 0.278 38.0 -99.9 -95.4 12.4 23.0 21.8 17.2 10 16 A G S S+ 0 0 26 1,-0.2 2,-0.3 240,-0.1 241,-0.1 0.317 101.8 45.2 93.7 -6.1 22.8 24.5 20.0 11 17 A T S S- 0 0 82 3,-0.1 -2,-0.5 238,-0.0 -1,-0.2 -0.920 109.1 -64.8-152.8 168.7 26.5 24.5 20.8 12 18 A Q - 0 0 40 -2,-0.3 2,-2.4 1,-0.1 5,-0.2 -0.379 64.7-103.4 -63.7 140.9 29.7 24.6 18.7 13 19 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 -0.384 51.6 168.6 -82.3 75.3 29.9 21.4 16.7 14 20 A S > - 0 0 50 -2,-2.4 4,-2.4 1,-0.1 5,-0.3 -0.277 54.2 -96.8 -62.0 166.0 32.4 19.3 18.4 15 21 A E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 127.2 47.2 -51.2 -46.1 32.6 15.6 17.4 16 22 A S H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.851 109.4 52.0 -70.7 -35.2 30.4 14.6 20.3 17 23 A A H > S+ 0 0 18 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 112.2 46.9 -67.2 -38.8 27.8 17.3 19.6 18 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 114.8 46.0 -63.5 -50.3 27.5 16.3 16.0 19 25 A K H X S+ 0 0 106 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.904 110.8 53.4 -63.5 -39.9 27.2 12.6 16.9 20 26 A S H X S+ 0 0 77 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.897 109.4 48.1 -62.7 -38.0 24.7 13.3 19.6 21 27 A F H X S+ 0 0 5 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.901 109.5 52.7 -69.4 -36.4 22.5 15.2 17.3 22 28 A Q H X>S+ 0 0 32 -4,-2.3 4,-1.3 1,-0.2 5,-1.3 0.898 111.2 47.2 -64.8 -39.3 22.7 12.4 14.7 23 29 A E H <5S+ 0 0 156 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.911 112.4 51.6 -62.3 -45.2 21.6 9.9 17.4 24 30 A L H <5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.6 34.6 -60.0 -49.9 18.9 12.3 18.4 25 31 A Q H <5S- 0 0 2 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.557 103.7-126.4 -84.2 -9.9 17.4 12.8 14.9 26 32 A G T <5S+ 0 0 62 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.788 76.7 77.8 73.5 30.9 18.1 9.2 13.7 27 33 A R S - c 0 64A 50 -2,-0.3 3,-0.7 26,-0.2 0, 0.0 -0.316 33.3 -96.3-101.6-173.5 32.2 36.6 14.9 38 44 A W T 3 S+ 0 0 2 26,-0.8 43,-0.0 1,-0.2 25,-0.0 0.087 117.4 61.1 -98.1 24.3 34.8 38.8 13.1 39 45 A S T 3 S+ 0 0 79 2,-0.1 2,-0.5 42,-0.0 -1,-0.2 -0.018 84.6 97.7-125.9 24.0 37.4 38.6 15.9 40 46 A T < - 0 0 20 -3,-0.7 2,-0.2 3,-0.0 -4,-0.0 -0.966 62.6-150.5-115.1 123.2 37.7 34.8 15.5 41 47 A D >> - 0 0 52 -2,-0.5 3,-1.8 1,-0.1 4,-1.1 -0.538 30.0-106.3 -91.3 161.2 40.6 33.4 13.4 42 48 A F H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 3,-0.1 0.805 113.7 70.3 -57.3 -27.7 40.4 30.2 11.5 43 49 A S H 34 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.805 99.0 50.4 -63.1 -25.6 42.6 28.4 14.0 44 50 A W H <4 S+ 0 0 114 -3,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.849 114.0 45.2 -75.7 -35.0 39.7 28.6 16.4 45 51 A V H >X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 3,-1.3 0.831 93.6 81.7 -70.4 -38.7 37.4 27.2 13.8 46 52 A R H 3X S+ 0 0 99 -4,-2.6 4,-2.8 1,-0.3 5,-0.2 0.797 86.1 52.6 -50.4 -42.1 39.6 24.4 12.6 47 53 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.872 114.8 44.6 -63.3 -30.3 38.9 21.7 15.3 48 54 A Y H <> S+ 0 0 58 -3,-1.3 4,-2.4 -4,-0.4 -2,-0.2 0.911 112.2 51.0 -74.5 -43.8 35.2 22.1 14.6 49 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.917 109.3 51.9 -57.7 -42.9 35.7 22.1 10.8 50 56 A D H X S+ 0 0 55 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.922 109.1 49.6 -60.7 -44.0 37.8 18.9 11.2 51 57 A A H X S+ 0 0 13 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.914 112.4 48.5 -60.7 -42.3 35.0 17.2 13.2 52 58 A V H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.953 115.1 42.4 -64.9 -45.8 32.5 18.2 10.6 53 59 A Y H ><5S+ 0 0 42 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.884 110.2 56.7 -71.3 -37.0 34.5 16.9 7.6 54 60 A N H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.3 53.5 -60.0 -31.4 35.5 13.8 9.5 55 61 A N T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.520 120.7-111.3 -77.6 -8.8 31.8 13.1 9.9 56 62 A G T < 5S+ 0 0 49 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.774 74.7 129.9 81.1 28.0 31.3 13.4 6.1 57 63 A S < - 0 0 7 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.711 61.1-112.8-111.4 165.2 29.3 16.7 6.4 58 64 A I E -c 31 0A 38 -28,-2.6 -26,-2.7 -2,-0.2 2,-0.5 -0.817 30.0-134.9 -89.7 131.3 29.4 20.2 4.8 59 65 A L E -cd 32 96A 0 36,-0.7 38,-2.6 -2,-0.4 2,-0.5 -0.816 18.1-169.8 -89.8 125.7 30.4 23.0 7.2 60 66 A M E -cd 33 97A 0 -28,-2.8 -26,-2.5 -2,-0.5 2,-0.5 -0.978 6.2-165.8-110.7 124.4 28.2 26.2 7.0 61 67 A I E -cd 34 98A 0 36,-2.6 38,-3.1 -2,-0.5 2,-0.6 -0.949 13.1-153.4-112.7 122.5 29.6 29.1 8.9 62 68 A T E -cd 35 99A 0 -28,-2.9 -26,-2.7 -2,-0.5 2,-0.7 -0.882 18.1-156.4 -91.0 122.0 27.5 32.2 9.6 63 69 A W E -cd 36 100A 0 36,-1.8 38,-1.5 -2,-0.6 -26,-0.2 -0.882 7.6-164.2-115.8 100.4 30.2 34.9 10.0 64 70 A E E -c 37 0A 23 -28,-3.2 2,-2.0 -2,-0.7 -26,-0.8 -0.764 12.1-152.9-100.5 110.0 28.8 37.8 12.1 65 71 A P > + 0 0 1 0, 0.0 3,-1.4 0, 0.0 -28,-0.1 -0.336 37.8 147.9 -84.0 67.0 30.7 41.1 12.0 66 72 A W T 3 S+ 0 0 128 -2,-2.0 3,-0.1 1,-0.2 -29,-0.0 0.821 77.2 54.3 -57.3 -29.7 29.7 42.5 15.4 67 73 A E T 3 S+ 0 0 70 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.525 113.0 34.8 -87.1 -7.1 33.1 44.1 15.2 68 74 A Y < - 0 0 63 -3,-1.4 -1,-0.2 10,-0.0 2,-0.1 -0.960 68.0-145.6-150.5 127.3 32.8 46.0 11.8 69 75 A N > - 0 0 42 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.237 40.7 -94.1 -85.8 177.8 29.8 47.7 10.2 70 76 A T H > S+ 0 0 0 40,-0.3 4,-2.8 1,-0.2 5,-0.2 0.826 125.8 52.1 -67.1 -28.6 29.3 47.8 6.4 71 77 A V H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 110.5 49.0 -68.8 -47.1 31.0 51.2 6.0 72 78 A D H 4>S+ 0 0 56 1,-0.2 5,-2.2 2,-0.2 6,-0.5 0.904 116.3 44.6 -47.0 -55.8 34.1 49.8 7.9 73 79 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.956 112.0 47.8 -67.1 -49.4 34.1 46.8 5.8 74 80 A K H 3<5S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.1 56.3 -68.5 -24.5 33.6 48.3 2.4 75 81 A N T 3<5S- 0 0 100 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.478 118.3-110.3 -83.3 -2.6 36.3 50.9 3.1 76 82 A G T X 5S+ 0 0 21 -3,-1.7 3,-1.7 -4,-0.3 4,-0.3 0.527 77.2 131.3 95.2 7.0 38.9 48.2 3.8 77 83 A K T 3 S+ 0 0 2 -6,-0.5 4,-2.5 -5,-0.3 3,-0.4 0.226 82.2 112.0-105.1 10.7 38.9 44.9 8.2 79 85 A D H <> S+ 0 0 43 -3,-1.7 4,-2.9 1,-0.2 5,-0.2 0.833 71.0 55.0 -65.2 -30.5 41.0 43.8 5.2 80 86 A A H > S+ 0 0 72 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.938 112.6 44.7 -63.5 -42.0 43.9 42.3 7.2 81 87 A Y H > S+ 0 0 10 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.923 115.3 47.1 -66.9 -44.6 41.4 40.1 9.2 82 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.936 111.3 51.9 -62.0 -43.9 39.5 39.1 5.9 83 89 A T H X S+ 0 0 42 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.921 109.0 49.5 -61.7 -43.4 42.7 38.4 4.1 84 90 A R H X S+ 0 0 94 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.918 111.4 49.8 -61.7 -42.0 44.0 36.1 6.9 85 91 A M H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.925 111.6 48.5 -63.7 -42.7 40.7 34.2 6.9 86 92 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.934 112.9 47.2 -62.1 -45.1 40.8 33.7 3.2 87 93 A Q H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 114.5 46.8 -63.5 -40.9 44.4 32.5 3.3 88 94 A D H X S+ 0 0 51 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.902 112.8 48.6 -71.1 -39.6 43.6 30.1 6.1 89 95 A M H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.874 110.8 51.5 -67.4 -35.3 40.5 28.8 4.4 90 96 A K H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.948 109.8 49.2 -61.8 -48.0 42.4 28.3 1.2 91 97 A A H < S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 106.3 56.4 -59.6 -37.9 45.1 26.3 3.0 92 98 A Y H < S- 0 0 29 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.889 89.3-168.0 -63.6 -39.3 42.4 24.2 4.7 93 99 A G < + 0 0 42 -4,-1.8 -1,-0.1 1,-0.2 -3,-0.1 0.051 37.8 118.0 87.9 -25.0 41.2 23.4 1.2 94 100 A K S S- 0 0 86 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.335 76.0 -88.0 -83.0 159.9 37.8 21.8 1.9 95 101 A E - 0 0 84 -3,-0.1 -36,-0.7 49,-0.1 2,-0.4 -0.526 49.2-179.9 -70.4 122.3 34.4 23.1 0.7 96 102 A I E -de 59 144A 0 47,-1.8 49,-3.0 -2,-0.4 2,-0.7 -0.979 23.7-143.1-123.9 134.7 33.0 25.6 3.2 97 103 A W E -de 60 145A 2 -38,-2.6 -36,-2.6 -2,-0.4 2,-0.5 -0.879 24.3-164.5 -95.2 115.9 29.7 27.4 2.8 98 104 A L E -de 61 146A 0 47,-3.1 49,-2.6 -2,-0.7 -36,-0.2 -0.885 12.9-172.5-113.2 127.8 30.3 30.9 4.2 99 105 A R E -d 62 0A 0 -38,-3.1 -36,-1.8 -2,-0.5 3,-0.4 -0.801 13.1-177.8-124.1 83.1 27.3 33.2 5.1 100 106 A P E +d 63 0A 2 0, 0.0 -36,-0.2 0, 0.0 49,-0.2 -0.577 62.5 6.4 -83.7 148.8 28.6 36.7 6.0 101 107 A L S S- 0 0 0 -38,-1.5 3,-0.5 -2,-0.2 48,-0.2 0.910 86.6-174.1 52.7 53.6 26.4 39.6 7.2 102 108 A H + 0 0 1 -3,-0.4 9,-0.1 1,-0.2 -1,-0.1 -0.180 53.6 24.9 -78.5 168.3 23.2 37.6 7.4 103 109 A E > + 0 0 9 1,-0.1 3,-1.7 2,-0.1 6,-0.3 0.812 68.0 156.5 48.7 43.2 19.6 38.7 8.0 104 110 A A T 3 + 0 0 0 45,-0.5 9,-2.4 -3,-0.5 10,-0.7 0.582 63.7 67.2 -79.1 -9.6 20.4 42.2 6.8 105 111 A N T 3 S+ 0 0 0 7,-0.2 50,-2.6 8,-0.2 -1,-0.3 0.225 94.4 75.9 -89.4 14.0 16.7 42.9 6.0 106 112 A G S < S- 0 0 0 -3,-1.7 8,-1.5 48,-0.2 9,-0.3 -0.373 80.3-131.5-100.6-169.9 16.1 42.8 9.8 107 113 A D S S+ 0 0 69 7,-0.2 9,-0.5 -2,-0.1 49,-0.1 0.249 84.2 82.6-127.2 12.2 16.9 45.5 12.4 108 114 A W S S+ 0 0 98 -5,-0.3 -4,-0.1 7,-0.1 -5,-0.0 0.617 77.0 70.9-100.1 -13.9 18.7 43.4 15.1 109 115 A Y S > S- 0 0 26 -6,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.848 78.2-129.4-107.7 146.1 22.2 43.3 13.7 110 116 A P T 3 S+ 0 0 26 0, 0.0 -40,-0.3 0, 0.0 9,-0.1 0.592 110.5 49.3 -72.8 -6.1 24.7 46.2 13.6 111 117 A W T 3 S+ 0 0 0 -42,-0.2 2,-0.1 -9,-0.1 -7,-0.1 0.371 89.4 109.8-102.6 -1.3 25.4 45.5 9.9 112 118 A A S X S- 0 0 0 -3,-2.0 3,-1.4 1,-0.1 8,-0.4 -0.462 73.7-127.9 -79.6 150.4 21.7 45.2 8.9 113 119 A I T 3 S+ 0 0 15 -9,-2.4 7,-0.2 1,-0.3 -8,-0.2 0.884 110.7 51.2 -65.2 -34.0 20.0 47.8 6.7 114 120 A G T 3 S+ 0 0 2 -8,-1.5 43,-0.5 -10,-0.7 -1,-0.3 0.507 78.6 127.5 -79.2 -2.0 17.2 48.2 9.3 115 121 A Y X - 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