==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-MAY-06 2H1V . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.D.HANSSON,T.KARLBERG,M.ARYS RAHARDJA,S.AL-KARADAGHI, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.9 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 2 0 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 1 0 0 1 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 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 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 2 A S 0 0 172 0, 0.0 2,-0.2 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 -84.2 -9.6 34.7 -33.5 2 3 A R - 0 0 95 75,-0.1 75,-0.2 1,-0.1 2,-0.1 -0.465 360.0-138.6 -61.7 118.9 -9.6 31.1 -32.3 3 4 A K E -a 77 0A 88 73,-1.7 75,-3.3 -2,-0.2 2,-0.4 -0.437 6.7-125.1 -87.9 156.0 -7.8 31.1 -28.9 4 5 A K E +a 78 0A 119 73,-0.2 2,-0.4 -2,-0.1 101,-0.3 -0.845 28.0 179.4-104.6 136.8 -5.3 28.5 -27.7 5 6 A M E -a 79 0A 2 73,-2.5 75,-2.0 -2,-0.4 2,-0.3 -0.982 27.6-118.8-131.4 144.1 -5.7 26.6 -24.4 6 7 A G E -ab 80 107A 0 100,-2.4 102,-2.5 -2,-0.4 2,-0.6 -0.615 16.9-154.0 -77.2 145.2 -3.7 24.0 -22.7 7 8 A L E -ab 81 108A 0 73,-2.8 75,-2.6 -2,-0.3 2,-0.8 -0.950 10.6-161.8-117.0 100.8 -5.3 20.7 -22.1 8 9 A L E -ab 82 109A 0 100,-2.7 102,-2.4 -2,-0.6 2,-0.6 -0.811 4.7-168.0 -91.5 108.5 -3.5 19.2 -19.1 9 10 A V E -ab 83 110A 1 73,-2.7 75,-2.6 -2,-0.8 2,-0.3 -0.905 10.9-170.2 -99.8 115.8 -4.2 15.4 -19.1 10 11 A M E +ab 84 111A 0 100,-2.9 102,-3.1 -2,-0.6 2,-0.3 -0.758 12.7 160.0-113.1 152.5 -3.2 13.9 -15.8 11 12 A A E -a 85 0A 9 73,-1.5 75,-2.4 -2,-0.3 76,-0.2 -0.974 52.1-101.9-159.4 165.6 -2.9 10.3 -14.6 12 13 A Y - 0 0 66 -2,-0.3 75,-1.7 73,-0.2 76,-0.2 0.909 69.0-136.1 -57.7 -44.3 -1.3 8.2 -12.0 13 14 A G - 0 0 5 73,-0.2 -1,-0.1 72,-0.2 76,-0.0 0.076 21.1-140.1 103.3 148.8 1.3 7.1 -14.5 14 15 A T - 0 0 4 74,-0.1 74,-0.1 247,-0.0 45,-0.1 -0.982 36.0-102.0-136.3 136.4 3.1 4.0 -15.7 15 16 A P - 0 0 0 0, 0.0 41,-0.4 0, 0.0 40,-0.1 -0.254 19.0-141.8 -55.0 150.0 6.8 3.9 -16.7 16 17 A Y S S+ 0 0 59 73,-0.2 2,-0.3 1,-0.2 41,-0.1 0.552 84.6 20.6 -82.4 -12.9 7.5 4.0 -20.4 17 18 A K S > S- 0 0 92 1,-0.1 3,-1.9 35,-0.0 4,-0.2 -0.981 82.0-110.2-159.9 151.0 10.4 1.6 -20.0 18 19 A E G > S+ 0 0 98 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.785 108.5 69.4 -61.2 -31.8 11.6 -1.0 -17.4 19 20 A E G 3 S+ 0 0 147 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.652 98.6 52.6 -65.4 -13.9 14.6 1.0 -16.3 20 21 A D G <> S+ 0 0 36 -3,-1.9 4,-2.2 1,-0.1 -1,-0.3 0.410 80.5 92.2 -98.8 -0.8 12.2 3.5 -14.7 21 22 A I H <> S+ 0 0 0 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 0.914 84.1 53.1 -62.3 -41.8 10.2 1.0 -12.6 22 23 A E H > S+ 0 0 74 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.940 111.6 44.1 -61.8 -46.1 12.4 1.4 -9.5 23 24 A R H > S+ 0 0 154 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.873 114.0 51.8 -68.4 -34.5 12.1 5.3 -9.4 24 25 A Y H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.940 111.3 46.7 -60.4 -49.2 8.3 5.0 -10.1 25 26 A Y H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 110.4 52.6 -62.2 -41.2 8.0 2.5 -7.2 26 27 A T H <>S+ 0 0 24 -4,-2.6 5,-2.5 -5,-0.2 6,-0.5 0.922 109.2 50.1 -58.2 -44.0 10.1 4.7 -4.9 27 28 A H H ><5S+ 0 0 62 -4,-2.0 3,-1.9 60,-0.2 -2,-0.2 0.957 111.2 47.5 -61.2 -49.4 7.8 7.7 -5.7 28 29 A I H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.879 110.2 54.7 -60.2 -34.6 4.7 5.7 -5.0 29 30 A R T ><5S- 0 0 90 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.3 0.221 119.4-111.2 -86.7 17.1 6.4 4.5 -1.7 30 31 A R T < 5S- 0 0 191 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.896 80.7 -38.1 57.4 44.3 7.1 8.2 -0.7 31 32 A G T 3 > - 0 0 121 1,-0.1 4,-2.5 -3,-0.1 3,-0.5 -0.413 39.6-103.6 -62.1 154.3 14.3 -3.8 -1.7 36 37 A P H 3> S+ 0 0 82 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 121.5 50.8 -52.7 -39.5 15.7 -5.7 -4.7 37 38 A E H 3> S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.896 111.0 49.3 -67.3 -35.6 13.4 -8.7 -4.4 38 39 A M H <> S+ 0 0 80 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.915 110.7 50.6 -67.6 -44.5 10.4 -6.3 -4.2 39 40 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.947 111.7 47.7 -57.0 -48.0 11.6 -4.5 -7.3 40 41 A Q H X S+ 0 0 81 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.900 107.3 55.8 -66.5 -34.6 12.0 -7.8 -9.2 41 42 A D H X S+ 0 0 95 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.919 109.4 46.7 -61.2 -41.4 8.6 -8.9 -8.1 42 43 A L H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.938 111.7 50.6 -65.9 -43.7 7.0 -5.8 -9.6 43 44 A K H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 108.1 54.0 -55.9 -41.8 9.1 -6.2 -12.8 44 45 A D H X S+ 0 0 68 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.834 104.3 55.1 -63.7 -33.0 7.9 -9.8 -13.0 45 46 A R H X S+ 0 0 86 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.940 108.6 47.4 -66.8 -43.3 4.3 -8.7 -12.8 46 47 A Y H <>S+ 0 0 7 -4,-2.2 5,-2.7 1,-0.2 3,-0.4 0.911 113.1 49.1 -62.5 -39.1 4.8 -6.4 -15.8 47 48 A E H ><5S+ 0 0 133 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.912 105.7 58.2 -62.4 -40.2 6.5 -9.3 -17.6 48 49 A A H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 105.1 50.2 -63.1 -27.1 3.5 -11.6 -16.7 49 50 A I T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.288 133.8 -85.6 -97.7 11.8 1.1 -9.3 -18.4 50 51 A G T < 5S- 0 0 69 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.477 83.8 -49.6 106.7 1.1 3.1 -9.1 -21.6 51 52 A G < - 0 0 23 -5,-2.7 4,-0.2 -6,-0.2 -4,-0.1 -0.088 48.3-104.8 112.4 148.0 5.6 -6.3 -20.8 52 53 A I S >> S+ 0 0 10 1,-0.2 3,-1.8 2,-0.1 4,-0.6 0.809 95.8 88.0 -72.7 -25.2 5.4 -2.8 -19.5 53 54 A S H 3> S+ 0 0 76 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.772 83.3 50.2 -56.4 -40.0 6.0 -1.1 -22.9 54 55 A P H 3> S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.783 96.5 73.6 -67.0 -20.4 2.5 -0.9 -24.2 55 56 A L H X> S+ 0 0 4 -3,-1.8 3,-1.1 1,-0.3 4,-0.9 0.922 94.7 43.5 -69.3 -47.8 1.0 0.7 -21.1 56 57 A A H 3X S+ 0 0 3 -4,-0.6 4,-1.8 -41,-0.4 -1,-0.3 0.776 105.5 66.7 -68.2 -23.3 2.3 4.3 -21.2 57 58 A Q H 3X S+ 0 0 106 -4,-0.6 4,-2.3 -3,-0.3 -1,-0.3 0.776 92.0 60.5 -69.4 -27.2 1.5 4.4 -24.9 58 59 A I H X S+ 0 0 44 -4,-2.7 4,-2.0 1,-0.2 3,-0.8 0.939 111.3 51.2 -69.2 -45.7 -11.0 15.4 -31.4 70 71 A L H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.902 110.4 51.2 -54.7 -39.2 -11.7 18.5 -29.3 71 72 A N H 3< S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.717 111.4 47.5 -75.7 -19.2 -10.1 20.6 -32.1 72 73 A E H << S+ 0 0 130 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.766 107.7 53.7 -83.7 -31.8 -12.3 19.0 -34.8 73 74 A I H < S+ 0 0 71 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.559 116.1 23.7 -89.5 -5.8 -15.7 19.3 -33.0 74 75 A Q < - 0 0 26 -4,-0.7 -1,-0.1 -5,-0.2 3,-0.0 -0.974 55.9-151.9-153.0 162.9 -15.6 23.1 -32.2 75 76 A D S S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 0.322 77.9 80.3-116.1 -4.3 -13.9 26.2 -33.5 76 77 A E S S+ 0 0 83 1,-0.2 -73,-1.7 -74,-0.1 2,-0.4 0.824 96.3 32.2 -81.2 -32.5 -13.6 28.4 -30.6 77 78 A I E -a 3 0A 4 -75,-0.2 2,-0.6 -7,-0.2 -73,-0.2 -0.973 58.9-152.1-127.8 137.0 -10.5 26.9 -29.0 78 79 A T E -a 4 0A 49 -75,-3.3 -73,-2.5 -2,-0.4 2,-0.3 -0.967 27.1-156.8-104.6 116.4 -7.4 25.2 -30.2 79 80 A F E -a 5 0A 1 -2,-0.6 2,-0.4 -12,-0.3 -73,-0.2 -0.687 12.0-162.3 -89.0 148.6 -6.3 22.9 -27.5 80 81 A K E -a 6 0A 88 -75,-2.0 -73,-2.8 -2,-0.3 2,-0.3 -0.992 20.3-138.0-126.6 121.6 -2.8 21.5 -27.0 81 82 A A E -a 7 0A 19 -2,-0.4 2,-0.4 -75,-0.2 -73,-0.2 -0.576 19.4-176.4 -85.2 145.6 -2.5 18.5 -24.8 82 83 A Y E -a 8 0A 6 -75,-2.6 -73,-2.7 -2,-0.3 2,-0.5 -0.991 19.6-137.5-136.3 127.4 0.2 18.0 -22.2 83 84 A I E -a 9 0A 19 -2,-0.4 2,-0.5 -75,-0.2 -73,-0.2 -0.736 19.3-175.6 -90.4 129.7 0.5 14.8 -20.2 84 85 A G E -a 10 0A 0 -75,-2.6 -73,-1.5 -2,-0.5 2,-0.3 -0.974 6.7-164.5-125.5 118.3 1.2 15.2 -16.5 85 86 A L E -ac 11 91A 3 5,-3.1 7,-1.9 -2,-0.5 8,-0.2 -0.740 18.4-141.9-105.2 153.1 1.8 12.0 -14.4 86 87 A A S S+ 0 0 0 -75,-2.4 -73,-0.2 -2,-0.3 -74,-0.2 0.869 94.1 22.7 -76.8 -38.0 1.7 11.7 -10.7 87 88 A H S S+ 0 0 26 -75,-1.7 2,-0.3 -76,-0.2 -60,-0.2 0.370 120.5 27.0-121.8 3.9 4.5 9.2 -10.2 88 89 A I S S- 0 0 4 2,-0.2 -3,-0.3 -76,-0.2 -1,-0.1 -0.981 92.9 -39.0-157.0 160.1 6.9 9.3 -13.1 89 90 A E S S+ 0 0 88 -2,-0.3 -73,-0.2 1,-0.2 -5,-0.1 -0.341 113.7 50.6 -61.4 144.0 8.1 11.6 -15.8 90 91 A P S S- 0 0 40 0, 0.0 -5,-3.1 0, 0.0 -2,-0.2 0.396 91.0-165.0 -74.3 121.9 6.6 13.6 -17.4 91 92 A F B > -c 85 0A 27 -7,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.311 34.5-105.6 -71.1 161.5 5.4 14.7 -13.9 92 93 A I H > S+ 0 0 0 -7,-1.9 4,-2.4 -8,-0.3 5,-0.2 0.919 124.4 50.6 -46.3 -47.1 2.4 17.0 -13.4 93 94 A E H > S+ 0 0 48 -8,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.858 107.0 53.6 -64.4 -35.2 4.9 19.8 -12.7 94 95 A D H > S+ 0 0 74 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.901 108.6 49.9 -65.6 -43.1 6.9 19.1 -15.8 95 96 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.925 111.6 47.3 -63.1 -44.0 3.7 19.4 -17.9 96 97 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.921 111.6 51.3 -65.3 -41.2 2.7 22.7 -16.4 97 98 A A H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.895 110.2 49.6 -60.2 -38.4 6.2 24.0 -16.8 98 99 A E H X S+ 0 0 92 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 108.8 52.4 -69.4 -39.5 6.1 23.0 -20.5 99 100 A M H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.939 111.3 47.3 -55.4 -47.6 2.8 24.7 -21.0 100 101 A H H ><5S+ 0 0 67 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.936 110.8 50.2 -63.3 -45.3 4.2 27.8 -19.5 101 102 A K H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.7 55.4 -56.0 -38.4 7.3 27.7 -21.7 102 103 A D T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.473 123.4-103.3 -78.4 -5.1 5.2 27.2 -24.8 103 104 A G T < 5 + 0 0 49 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.579 66.2 154.5 95.4 7.9 3.2 30.4 -24.0 104 105 A I < + 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.548 12.7 170.3 -67.8 132.6 0.0 28.8 -22.7 105 106 A T + 0 0 91 -101,-0.3 34,-1.7 1,-0.3 2,-0.4 0.509 65.3 39.3-116.9 -14.4 -1.8 31.2 -20.3 106 107 A E E + d 0 139A 74 -102,-0.2 -100,-2.4 32,-0.2 2,-0.3 -0.992 67.6 170.5-139.7 129.7 -5.1 29.4 -19.8 107 108 A A E -bd 6 140A 1 32,-2.1 34,-2.2 -2,-0.4 2,-0.4 -0.950 23.9-148.5-140.1 156.0 -5.5 25.6 -19.4 108 109 A V E -bd 7 141A 0 -102,-2.5 -100,-2.7 -2,-0.3 2,-0.3 -0.966 21.1-155.7-118.4 139.8 -8.2 23.1 -18.5 109 110 A S E -bd 8 142A 0 32,-2.5 34,-2.9 -2,-0.4 2,-0.3 -0.888 12.6-178.5-117.4 154.4 -7.2 19.9 -16.8 110 111 A I E -b 9 0A 0 -102,-2.4 -100,-2.9 -2,-0.3 2,-0.4 -0.990 19.2-138.6-145.1 140.5 -8.7 16.5 -16.5 111 112 A V E -b 10 0A 3 -2,-0.3 2,-2.2 32,-0.3 -100,-0.2 -0.850 20.7-126.8 -99.2 136.8 -7.6 13.3 -14.7 112 113 A L S S+ 0 0 14 -102,-3.1 146,-0.4 -2,-0.4 -100,-0.2 -0.362 90.7 82.0 -80.2 62.5 -7.9 10.0 -16.3 113 114 A A S S- 0 0 24 -2,-2.2 -2,-0.2 144,-0.1 144,-0.1 -0.827 71.7-149.0-163.0 114.9 -9.8 8.6 -13.4 114 115 A P S S+ 0 0 0 0, 0.0 32,-2.8 0, 0.0 33,-1.7 0.657 72.7 73.6 -75.5 -15.8 -13.6 9.4 -13.4 115 116 A H S S- 0 0 3 141,-0.2 6,-0.3 30,-0.2 2,-0.2 -0.799 79.1-125.0-102.8 138.9 -14.1 9.5 -9.6 116 117 A F + 0 0 24 -2,-0.4 2,-0.3 5,-0.1 82,-0.2 -0.554 34.5 167.7 -72.3 142.7 -13.0 12.3 -7.4 117 118 A S > - 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