==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-11 3ZU2 . COMPND 2 MOLECULE: PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.HIRSCHBECK,J.KUPER,C.KISKER . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 3 0 0 0 0 0 0 3 2 0 2 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 8 A H 0 0 237 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 97.2 36.7 91.8 -34.3 2 9 A H > - 0 0 109 0, 0.0 3,-2.3 0, 0.0 0, 0.0 -0.892 360.0 -89.9-134.1 171.4 33.6 91.0 -36.4 3 10 A H T 3 S+ 0 0 181 1,-0.3 0, 0.0 -2,-0.3 0, 0.0 0.653 128.9 30.0 -57.3 -15.0 31.3 93.1 -38.6 4 11 A S T > S+ 0 0 50 4,-0.0 3,-1.0 2,-0.0 -1,-0.3 0.135 88.8 140.6-128.8 17.4 29.1 93.9 -35.5 5 12 A S T < + 0 0 44 -3,-2.3 0, 0.0 1,-0.2 0, 0.0 -0.331 69.2 8.2 -68.3 142.3 31.7 93.7 -32.7 6 13 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.352 92.0 109.8 76.6 -8.2 31.5 96.2 -29.8 7 14 A L S < S+ 0 0 147 -3,-1.0 -1,-0.1 2,-0.1 -2,-0.1 0.532 80.4 46.1 -72.5 -4.9 28.2 97.6 -30.9 8 15 A V S S- 0 0 97 -4,-0.2 -2,-0.2 3,-0.0 2,-0.1 -0.985 89.8-105.2-142.8 145.0 26.7 95.9 -27.8 9 16 A P - 0 0 116 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.461 21.4-147.0 -66.4 144.1 27.5 95.5 -24.1 10 17 A R - 0 0 156 1,-0.1 3,-0.3 -2,-0.1 2,-0.0 0.860 36.6-158.7 -78.1 -38.2 28.8 92.1 -23.2 11 18 A G > - 0 0 48 1,-0.2 3,-1.5 2,-0.1 4,-0.2 -0.217 36.8 -46.4 88.1-177.6 27.2 92.1 -19.7 12 19 A S G >> S+ 0 0 75 1,-0.3 3,-2.2 2,-0.2 4,-0.9 0.681 114.9 82.6 -69.9 -16.6 27.8 90.2 -16.5 13 20 A H G 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.755 81.0 68.8 -60.8 -20.1 28.2 86.8 -18.1 14 21 A M G <4 S+ 0 0 94 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.749 109.3 33.7 -67.5 -25.5 31.8 87.8 -18.8 15 22 A L T <4 S+ 0 0 92 -3,-2.2 82,-0.4 -4,-0.2 391,-0.3 0.461 117.2 64.5-106.0 -5.9 32.5 87.6 -15.1 16 23 A E < - 0 0 59 -4,-0.9 2,-0.3 388,-0.1 388,-0.2 -0.729 61.8-163.7-119.9 165.9 30.1 84.8 -14.3 17 24 A M B -A 403 0A 44 386,-2.3 386,-2.3 -2,-0.2 2,-0.6 -0.938 26.9-108.0-147.7 166.8 29.9 81.1 -15.3 18 25 A I - 0 0 83 -2,-0.3 2,-0.6 384,-0.2 384,-0.1 -0.884 35.4-158.9 -98.2 119.3 27.8 78.0 -15.5 19 26 A I + 0 0 0 -2,-0.6 382,-0.1 382,-0.4 13,-0.0 -0.886 15.9 171.1-109.4 120.2 28.9 75.5 -12.9 20 27 A K - 0 0 80 -2,-0.6 2,-0.1 372,-0.1 372,-0.0 -0.887 43.9 -88.0-122.6 152.4 28.1 71.8 -13.3 21 28 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.406 37.4-172.3 -61.9 135.0 29.3 68.8 -11.4 22 29 A R - 0 0 114 8,-0.1 7,-2.1 -2,-0.1 2,-0.4 -0.828 16.1-175.3-126.4 91.8 32.6 67.4 -12.8 23 30 A V E +B 28 0B 64 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.753 19.5 174.4-104.5 134.4 33.3 64.2 -10.9 24 31 A R E > -B 27 0B 142 3,-3.0 3,-2.5 -2,-0.4 2,-0.4 -0.971 68.3 -47.0-132.5 120.0 36.2 61.8 -10.9 25 32 A G T 3 S- 0 0 27 -2,-0.4 272,-0.0 1,-0.3 -2,-0.0 -0.476 122.1 -26.6 60.8-115.5 36.3 58.9 -8.5 26 33 A F T 3 S+ 0 0 88 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.046 122.0 91.5-117.4 19.2 35.5 60.4 -5.1 27 34 A I E < -B 24 0B 92 -3,-2.5 -3,-3.0 269,-0.0 2,-0.5 -0.972 55.7-162.3-117.5 131.1 36.7 63.9 -6.0 28 35 A C E -B 23 0B 11 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.0 -0.957 5.6-159.1-110.9 124.3 34.6 66.6 -7.5 29 36 A V S S+ 0 0 66 -7,-2.1 2,-0.3 -2,-0.5 -6,-0.1 0.486 70.1 53.8 -86.8 -2.4 36.6 69.4 -9.1 30 37 A T - 0 0 16 -8,-0.2 2,-0.3 68,-0.0 -8,-0.1 -0.868 58.9-164.8-126.2 160.8 33.8 72.1 -9.0 31 38 A A - 0 0 2 -2,-0.3 360,-0.2 69,-0.1 69,-0.1 -0.990 19.3-130.6-145.2 141.9 31.5 73.6 -6.3 32 39 A H > - 0 0 3 358,-2.8 4,-3.0 -2,-0.3 5,-0.3 -0.830 7.3-156.2-101.4 113.5 28.4 75.7 -6.7 33 40 A P H > S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.877 95.8 44.0 -47.4 -50.6 28.2 78.9 -4.6 34 41 A T H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.879 115.0 48.2 -68.8 -39.4 24.4 79.1 -4.6 35 42 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 356,-0.3 0.884 109.9 51.7 -70.2 -39.2 24.0 75.4 -3.8 36 43 A C H X S+ 0 0 0 -4,-3.0 4,-2.2 354,-0.3 -2,-0.2 0.928 110.0 50.7 -61.9 -44.0 26.5 75.5 -1.0 37 44 A E H X S+ 0 0 67 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.910 108.8 50.2 -56.1 -46.0 24.6 78.4 0.5 38 45 A A H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.850 108.6 55.4 -63.3 -32.5 21.3 76.5 0.2 39 46 A N H X S+ 0 0 25 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.923 108.2 45.4 -63.1 -50.7 23.0 73.6 1.9 40 47 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.927 112.5 51.8 -58.2 -46.2 24.1 75.7 4.9 41 48 A K H X S+ 0 0 103 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.889 106.5 55.1 -61.0 -37.5 20.6 77.2 5.1 42 49 A K H X S+ 0 0 145 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.931 109.7 45.1 -61.8 -45.2 19.1 73.7 5.1 43 50 A Q H X S+ 0 0 27 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.879 112.8 51.3 -65.7 -38.4 21.2 72.7 8.1 44 51 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.927 109.7 49.5 -63.2 -46.2 20.4 75.9 10.0 45 52 A D H X S+ 0 0 69 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.845 107.3 55.6 -63.0 -33.8 16.7 75.5 9.4 46 53 A Y H X S+ 0 0 62 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.955 111.8 42.7 -61.1 -47.5 17.0 71.9 10.7 47 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.921 113.5 51.0 -66.3 -44.4 18.5 73.1 13.9 48 55 A T H < S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 111.0 50.0 -64.3 -32.6 16.1 76.0 14.3 49 56 A T H < S+ 0 0 111 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 108.2 50.2 -74.2 -43.7 13.2 73.6 13.7 50 57 A E H < S- 0 0 97 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 114.6-134.6 -60.1 -36.8 14.3 71.1 16.3 51 58 A G < - 0 0 14 -4,-2.3 -1,-0.1 -5,-0.2 -2,-0.1 -0.262 32.4 -30.2 106.3 168.2 14.6 74.1 18.6 52 59 A P - 0 0 122 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.156 53.0-132.8 -59.5 147.9 17.1 75.5 21.1 53 60 A I > - 0 0 13 27,-3.0 3,-0.6 23,-0.2 2,-0.1 -0.917 22.2-133.9-103.3 126.1 19.4 73.2 23.1 54 61 A A T 3 S+ 0 0 81 -2,-0.5 27,-0.0 1,-0.2 26,-0.0 -0.416 81.3 20.0 -79.5 154.4 19.5 73.9 26.9 55 62 A N T 3 S+ 0 0 130 1,-0.1 -1,-0.2 -2,-0.1 26,-0.1 0.787 89.5 154.1 60.8 30.4 22.7 74.1 28.9 56 63 A G < - 0 0 13 -3,-0.6 -1,-0.1 1,-0.1 2,-0.1 -0.263 48.7 -89.0 -82.4 172.2 24.8 74.6 25.7 57 64 A P - 0 0 10 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 -0.327 26.8-155.9 -75.5 166.0 28.2 76.3 25.4 58 65 A K S S+ 0 0 104 1,-0.3 26,-3.0 25,-0.1 2,-0.4 0.652 78.4 33.5-119.9 -29.0 28.4 80.1 24.8 59 66 A R E S-c 84 0C 115 24,-0.2 90,-2.7 2,-0.0 91,-1.2 -0.929 76.8-175.6-138.4 112.5 31.7 80.7 23.1 60 67 A V E -cd 85 150C 0 24,-3.1 26,-2.7 -2,-0.4 2,-0.5 -0.877 22.0-157.5-124.6 136.5 33.0 78.0 20.8 61 68 A L E -cd 86 151C 0 89,-2.5 91,-3.0 -2,-0.4 2,-0.6 -0.937 13.6-166.7-106.4 124.8 36.0 77.2 18.7 62 69 A V E -cd 87 152C 0 24,-2.7 26,-2.6 -2,-0.5 2,-0.8 -0.957 5.7-159.7-113.8 120.9 35.6 74.7 15.9 63 70 A I E S+cd 88 153C 0 89,-3.2 91,-2.8 -2,-0.6 26,-0.2 -0.857 85.9 22.3-101.3 105.6 38.7 73.3 14.3 64 71 A G S S+ 0 0 13 24,-2.9 3,-0.3 -2,-0.8 -1,-0.3 0.764 82.4 158.7 101.9 58.5 37.7 72.1 10.8 65 72 A A + 0 0 0 23,-2.4 24,-0.2 -3,-0.4 9,-0.1 0.385 44.4 72.7-104.0 2.1 34.7 74.2 10.5 66 73 A S S S+ 0 0 3 22,-0.2 2,-0.3 8,-0.0 -1,-0.2 0.646 99.2 14.1 -99.3 -20.4 33.8 74.6 6.8 67 74 A T S >> S+ 0 0 42 -3,-0.3 4,-1.8 39,-0.1 3,-0.7 -0.905 102.4 0.3-145.3 171.3 32.4 71.2 5.8 68 75 A G H 3> S- 0 0 20 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.050 119.6 -9.5 52.9-133.9 31.0 67.8 7.2 69 76 A Y H 3> S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.841 133.7 55.6 -71.8 -34.0 30.8 67.3 10.9 70 77 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 84,-0.3 -1,-0.2 0.928 109.4 47.6 -65.9 -44.9 32.8 70.4 11.9 71 78 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.917 110.6 52.4 -58.3 -45.8 30.4 72.6 10.0 72 79 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.875 109.8 49.5 -60.7 -36.9 27.4 70.8 11.6 73 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.922 109.5 51.0 -67.5 -43.3 28.9 71.4 15.0 74 81 A R H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.926 113.9 44.9 -58.9 -43.1 29.4 75.1 14.2 75 82 A I H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.7 0.917 111.6 51.9 -69.9 -44.0 25.8 75.4 13.1 76 83 A T H X>S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 5,-0.5 0.930 113.7 43.6 -56.1 -45.5 24.5 73.5 16.1 77 84 A A H X5S+ 0 0 0 -4,-2.5 6,-2.6 3,-0.2 4,-0.9 0.917 120.8 40.0 -70.4 -42.1 26.3 75.7 18.6 78 85 A A H X5S+ 0 0 2 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.973 130.3 24.7 -72.3 -56.2 25.5 79.0 16.9 79 86 A F H <5S+ 0 0 28 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.709 129.7 42.8 -88.3 -18.3 21.9 78.4 15.9 80 87 A G H < -K 98 0D 105 3,-2.0 3,-3.1 -2,-0.1 312,-0.0 -0.932 46.1 -52.6-142.5 172.7 37.9 84.0 -8.1 96 103 A E T 3 S- 0 0 123 1,-0.3 -80,-0.1 -2,-0.3 308,-0.1 -0.109 126.2 -1.3 -46.2 131.6 36.7 84.8 -11.6 97 104 A G T 3 S+ 0 0 50 -82,-0.4 -1,-0.3 1,-0.1 -81,-0.1 0.470 121.6 86.9 65.7 1.3 36.4 81.7 -13.8 98 105 A K B < -K 95 0D 125 -3,-3.1 -3,-2.0 -68,-0.0 -1,-0.1 -0.733 69.3-147.8-139.6 89.8 37.7 79.6 -10.8 99 106 A P - 0 0 18 0, 0.0 307,-0.1 0, 0.0 3,-0.1 -0.257 19.2-130.5 -60.1 137.5 35.2 78.3 -8.3 100 107 A G - 0 0 2 305,-0.5 -69,-0.1 1,-0.2 -6,-0.1 -0.060 37.8 -76.1 -71.4-178.3 36.5 78.0 -4.8 101 108 A T >> - 0 0 35 -9,-2.1 4,-1.5 1,-0.1 3,-0.9 -0.405 42.0-105.6 -80.0 163.2 36.1 74.9 -2.7 102 109 A S H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.873 118.5 58.4 -51.6 -46.5 32.9 73.8 -1.0 103 110 A G H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.815 103.0 54.8 -58.9 -30.8 34.1 74.8 2.5 104 111 A W H <> S+ 0 0 11 -3,-0.9 4,-2.4 -12,-0.2 -1,-0.2 0.966 112.7 39.6 -68.5 -51.2 34.7 78.4 1.2 105 112 A Y H X S+ 0 0 5 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.887 114.1 55.0 -67.4 -36.3 31.2 78.9 0.0 106 113 A N H X S+ 0 0 5 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.944 111.6 45.1 -56.6 -46.7 29.8 77.0 3.0 107 114 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.870 108.3 54.6 -72.5 -36.2 31.6 79.4 5.3 108 115 A A H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.932 110.7 48.1 -57.5 -44.8 30.7 82.5 3.4 109 116 A A H X S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.936 108.4 54.9 -62.7 -44.6 27.0 81.4 3.9 110 117 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.936 108.8 46.1 -51.7 -53.2 27.6 80.8 7.5 111 118 A H H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 113.4 51.7 -58.6 -40.5 28.9 84.3 8.2 112 119 A K H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.962 114.5 39.9 -60.4 -53.5 26.0 85.7 6.2 113 120 A F H X S+ 0 0 20 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.869 113.8 54.8 -67.6 -33.5 23.3 83.8 8.1 114 121 A A H <>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.3 3,-0.5 0.935 107.2 49.4 -66.7 -45.2 25.0 84.3 11.4 115 122 A A H ><5S+ 0 0 70 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.899 105.5 59.0 -58.6 -40.8 25.1 88.1 11.0 116 123 A Q H 3<5S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.1 42.6 -56.8 -35.8 21.4 88.0 10.1 117 124 A K T 3<5S- 0 0 135 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.256 118.5-110.6 -96.1 9.7 20.7 86.5 13.5 118 125 A G T < 5 + 0 0 71 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.767 69.1 145.9 68.5 25.9 23.1 88.8 15.3 119 126 A L < - 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