==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-97 6FIT . COMPND 2 MOLECULE: FRAGILE HISTIDINE TRIAD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.LIMA,M.G.KLEIN,W.A.HENDRICKSON . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 20.8 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 . 2 1.6 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 . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 116 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 5.7 15.5 36.7 27.8 2 3 A F E -A 9 0A 18 7,-2.3 7,-3.2 2,-0.0 2,-0.4 -0.896 360.0-148.9-121.2 149.8 16.0 33.2 26.4 3 4 A R E -A 8 0A 127 -2,-0.3 2,-0.6 5,-0.3 5,-0.3 -0.995 14.2-174.2-126.0 132.7 14.3 31.9 23.2 4 5 A F E > -A 7 0A 15 3,-3.4 3,-1.0 -2,-0.4 2,-0.3 -0.877 69.1 -61.7-124.2 90.1 13.2 28.4 22.5 5 6 A G T 3 S- 0 0 7 -2,-0.6 86,-0.1 1,-0.3 88,-0.0 -0.511 119.9 -13.1 72.4-125.8 12.0 28.5 18.9 6 7 A Q T 3 S+ 0 0 131 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.903 123.9 84.8 -74.5 -41.4 9.1 30.8 18.7 7 8 A H E < -A 4 0A 50 -3,-1.0 -3,-3.4 -4,-0.1 2,-0.5 -0.307 68.9-145.2 -70.0 143.9 8.7 31.0 22.5 8 9 A L E -A 3 0A 127 -5,-0.3 2,-0.4 -2,-0.0 -5,-0.3 -0.887 21.1-148.5-105.1 132.1 10.6 33.4 24.6 9 10 A I E -A 2 0A 16 -7,-3.2 -7,-2.3 -2,-0.5 4,-0.1 -0.877 11.5-118.0-113.2 138.2 11.5 31.8 28.0 10 11 A K > - 0 0 114 -2,-0.4 4,-0.6 -9,-0.2 -7,-0.0 -0.686 17.6-130.0 -78.3 126.4 11.9 33.6 31.3 11 12 A P T >4 S+ 0 0 58 0, 0.0 2,-2.8 0, 0.0 3,-2.2 0.785 103.1 71.9 -38.2 -47.0 15.3 33.4 33.0 12 13 A S T 34 S+ 0 0 63 1,-0.3 -2,-0.1 3,-0.1 103,-0.1 -0.463 102.0 42.0 -77.5 67.1 13.6 32.3 36.2 13 14 A V T 34 S+ 0 0 5 -2,-2.8 12,-1.6 1,-0.3 2,-0.6 -0.044 93.1 93.1-178.3 -28.9 12.9 28.9 34.7 14 15 A V E << -B 24 0B 9 -3,-2.2 -1,-0.3 -4,-0.6 10,-0.3 -0.780 54.8-172.1 -84.1 117.7 16.3 28.5 33.0 15 16 A F E + 0 0 1 8,-0.8 2,-0.2 -2,-0.6 9,-0.2 0.099 64.0 18.9-101.9 16.2 18.5 26.6 35.4 16 17 A L E -B 23 0B 25 7,-0.7 7,-2.2 2,-0.1 2,-0.4 -0.784 55.6-171.7-177.5 141.4 21.9 26.7 33.7 17 18 A K E -B 22 0B 126 -2,-0.2 5,-0.3 5,-0.2 2,-0.2 -0.941 12.0-176.3-147.9 113.6 23.4 28.9 31.1 18 19 A T - 0 0 25 3,-3.7 -2,-0.1 -2,-0.4 22,-0.0 -0.403 49.7 -79.0 -98.5-174.7 26.7 28.1 29.6 19 20 A E S S+ 0 0 158 1,-0.2 3,-0.1 -2,-0.2 37,-0.0 0.797 126.8 1.6 -55.3 -34.4 28.9 30.0 27.1 20 21 A L S S+ 0 0 27 32,-0.1 20,-3.3 1,-0.1 21,-0.5 0.412 126.5 55.7-136.2 -3.6 26.7 28.7 24.1 21 22 A S E - C 0 39B 1 18,-0.3 -3,-3.7 19,-0.1 2,-0.3 -0.884 51.6-168.5-134.8 165.8 23.9 26.6 25.7 22 23 A F E -BC 17 38B 1 16,-2.5 16,-2.8 -2,-0.3 2,-0.3 -0.993 9.6-146.3-153.5 152.4 21.2 26.7 28.3 23 24 A A E -BC 16 37B 0 -7,-2.2 -8,-0.8 -2,-0.3 -7,-0.7 -0.910 16.1-177.2-121.0 154.5 18.8 24.4 30.1 24 25 A L E -BC 14 36B 8 12,-2.1 12,-2.0 -2,-0.3 2,-0.3 -0.963 30.8-102.7-147.6 158.6 15.3 24.8 31.2 25 26 A V E - C 0 35B 1 -12,-1.6 10,-0.2 -2,-0.3 2,-0.2 -0.638 44.9-111.8 -82.4 143.0 12.5 23.1 33.1 26 27 A N - 0 0 27 8,-1.1 7,-0.1 -2,-0.3 8,-0.1 -0.464 9.5-146.8 -75.7 145.5 9.8 21.6 31.0 27 28 A R S S+ 0 0 124 1,-0.3 82,-0.2 -2,-0.2 -1,-0.1 -0.214 99.3 25.9-104.4 39.4 6.3 23.1 31.1 28 29 A K S S- 0 0 157 6,-0.2 -1,-0.3 80,-0.1 81,-0.0 0.052 85.1-165.8 169.6 63.5 4.8 19.6 30.5 29 30 A P - 0 0 37 0, 0.0 6,-0.0 0, 0.0 70,-0.0 -0.327 17.9-153.5 -65.4 145.2 7.2 16.9 31.8 30 31 A V S S+ 0 0 110 1,-0.4 69,-0.1 -2,-0.0 3,-0.0 0.789 88.7 7.8 -83.5 -40.7 6.7 13.3 30.9 31 32 A V S > S- 0 0 23 70,-0.0 3,-1.1 0, 0.0 -1,-0.4 -0.970 104.8 -80.8-138.6 144.3 8.4 12.1 34.0 32 33 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 40,-0.1 -0.216 119.0 28.8 -48.9 132.5 9.5 14.3 36.9 33 34 A G T 3 S+ 0 0 0 1,-0.3 2,-1.1 66,-0.1 39,-0.1 0.633 76.5 156.6 88.9 15.9 12.8 16.0 36.2 34 35 A H < + 0 0 9 -3,-1.1 -8,-1.1 65,-0.1 -1,-0.3 -0.683 19.9 166.9 -74.5 100.4 12.1 16.0 32.5 35 36 A V E -CD 25 98B 0 63,-1.8 63,-2.8 -2,-1.1 2,-0.4 -0.714 24.8-143.1-114.8 166.3 14.4 18.8 31.6 36 37 A L E -CD 24 97B 4 -12,-2.0 -12,-2.1 -2,-0.3 2,-0.4 -0.989 4.2-158.8-139.1 133.3 15.7 20.0 28.2 37 38 A V E +CD 23 96B 0 59,-1.9 59,-3.3 -2,-0.4 -14,-0.2 -0.878 20.6 167.8-104.6 139.7 19.0 21.4 27.1 38 39 A C E -C 22 0B 0 -16,-2.8 -16,-2.5 -2,-0.4 57,-0.2 -0.989 36.7 -96.8-150.9 153.5 19.2 23.5 24.0 39 40 A P E -C 21 0B 0 0, 0.0 -18,-0.3 0, 0.0 4,-0.1 -0.400 27.8-127.5 -70.2 149.7 21.8 25.8 22.2 40 41 A L S S+ 0 0 54 -20,-3.3 -37,-0.2 -2,-0.1 -19,-0.1 0.921 93.3 78.3 -62.0 -40.8 21.5 29.5 22.7 41 42 A R S S- 0 0 92 -21,-0.5 2,-1.9 1,-0.1 -21,-0.0 -0.504 90.9-123.5 -72.7 129.6 21.5 30.0 18.9 42 43 A P + 0 0 59 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.296 49.8 155.4 -74.0 56.1 18.1 29.3 17.4 43 44 A V - 0 0 8 -2,-1.9 51,-1.3 1,-0.1 -38,-0.1 -0.397 34.9-151.7 -77.2 160.6 19.0 26.6 14.8 44 45 A E S S+ 0 0 68 49,-0.2 2,-0.4 1,-0.2 40,-0.4 0.574 74.2 46.6-108.4 -17.2 16.4 24.1 13.7 45 46 A R S > S- 0 0 66 1,-0.1 3,-3.2 47,-0.1 4,-0.5 -0.993 77.0-125.1-135.9 137.7 18.5 21.1 12.8 46 47 A F G > S+ 0 0 68 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.790 110.2 58.6 -44.8 -37.6 21.4 19.4 14.5 47 48 A H G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.648 92.2 64.9 -72.9 -18.4 23.6 19.9 11.4 48 49 A D G < S+ 0 0 84 -3,-3.2 -1,-0.3 2,-0.1 2,-0.2 0.598 84.4 101.3 -76.9 -10.2 23.3 23.7 11.4 49 50 A L S < S- 0 0 13 -3,-1.5 -3,-0.0 -4,-0.5 -5,-0.0 -0.552 77.3-121.3 -76.9 140.5 25.2 23.7 14.7 50 51 A R > - 0 0 100 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.263 30.5-104.5 -72.4 164.9 28.8 24.5 14.7 51 52 A P H > S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.895 121.9 48.0 -58.9 -38.8 31.2 21.9 16.0 52 53 A D H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.907 107.6 53.4 -69.6 -40.2 31.7 23.9 19.3 53 54 A E H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 110.2 50.7 -60.2 -38.7 28.0 24.4 19.8 54 55 A V H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.942 110.9 46.2 -63.7 -49.2 27.7 20.7 19.5 55 56 A A H X S+ 0 0 51 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.844 115.7 46.9 -62.1 -34.6 30.4 20.0 22.0 56 57 A D H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.864 109.3 54.6 -75.9 -39.0 28.9 22.5 24.4 57 58 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.966 114.5 37.8 -59.5 -54.4 25.4 21.2 24.0 58 59 A F H X S+ 0 0 76 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.686 112.8 55.7 -77.4 -14.9 26.2 17.7 24.9 59 60 A Q H >X S+ 0 0 113 -4,-1.0 4,-1.7 -5,-0.2 3,-1.6 0.970 111.4 45.1 -74.1 -51.9 28.7 18.5 27.6 60 61 A T H 3X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.3 5,-0.2 0.803 109.4 57.5 -55.1 -33.2 26.1 20.6 29.3 61 62 A T H 3X S+ 0 0 3 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.3 0.793 102.0 55.6 -71.6 -26.5 23.7 17.7 28.7 62 63 A Q H X S+ 0 0 74 -4,-2.2 4,-1.9 -3,-0.5 3,-0.7 0.952 112.5 50.6 -55.6 -52.1 23.7 13.9 36.3 67 68 A V H 3X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.866 110.6 45.1 -53.7 -52.4 21.9 16.5 38.4 68 69 A V H 3X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 6,-0.3 0.670 110.1 57.8 -71.6 -15.0 18.4 15.7 37.6 69 70 A E H <<>S+ 0 0 54 -4,-1.1 5,-1.8 -3,-0.7 -2,-0.2 0.898 111.4 41.7 -77.0 -40.0 19.2 12.0 38.1 70 71 A K H ><5S+ 0 0 122 -4,-1.9 3,-1.9 3,-0.2 -2,-0.2 0.997 116.9 45.9 -66.0 -65.2 20.4 12.8 41.7 71 72 A H H 3<5S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.652 118.8 40.0 -53.2 -31.3 17.5 15.2 42.6 72 73 A F T 3<5S- 0 0 31 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.066 106.8-123.0-109.5 20.9 14.6 13.0 41.2 73 74 A H T < 5 + 0 0 148 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.807 50.6 163.7 42.4 43.9 16.1 9.8 42.4 74 75 A G < - 0 0 11 -5,-1.8 28,-0.3 -6,-0.3 -1,-0.2 -0.671 37.1-146.6 -86.8 146.2 16.2 8.2 39.1 75 76 A T S S- 0 0 101 26,-1.9 2,-0.2 -2,-0.3 27,-0.2 0.740 78.9 -1.6 -81.1 -25.7 18.5 5.1 38.8 76 77 A S E S-E 101 0B 67 25,-2.5 25,-4.1 -7,-0.1 2,-0.3 -0.862 72.9-115.3-151.5-178.4 19.4 5.9 35.1 77 78 A L E -E 100 0B 40 23,-0.2 2,-0.4 -2,-0.2 21,-0.0 -0.897 5.6-152.2-131.3 162.6 18.7 8.4 32.3 78 79 A T E -E 99 0B 47 21,-1.5 21,-2.0 -2,-0.3 2,-0.3 -0.986 11.8-169.7-137.4 120.2 17.3 8.7 28.8 79 80 A F E +E 98 0B 96 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.840 10.9 171.2-107.2 146.6 18.4 11.2 26.3 80 81 A S E -E 97 0B 51 17,-1.4 17,-2.2 -2,-0.3 2,-0.5 -0.897 16.4-166.0-161.2 126.3 16.5 11.8 23.1 81 82 A M E -E 96 0B 56 -2,-0.3 2,-0.9 15,-0.2 15,-0.1 -0.958 10.9-154.1-117.8 127.0 16.8 14.4 20.3 82 83 A Q - 0 0 64 13,-0.5 2,-1.0 -2,-0.5 13,-0.2 -0.896 17.9-161.8-100.7 99.5 14.0 14.8 17.8 83 84 A D - 0 0 44 -2,-0.9 -38,-0.1 11,-0.1 11,-0.1 -0.731 51.8 -30.9 -91.2 94.7 15.9 16.2 14.7 84 85 A G S >>>S- 0 0 0 -2,-1.0 3,-1.6 -40,-0.4 5,-1.5 -0.000 93.9 -47.7 85.1 164.1 13.4 17.8 12.3 85 86 A P T 345S+ 0 0 48 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.109 127.3 40.0 -59.3 171.6 9.8 17.1 11.4 86 87 A E T 345S+ 0 0 195 1,-0.2 -2,-0.1 3,-0.2 -3,-0.1 0.339 108.6 68.8 69.6 -19.8 9.2 13.3 10.8 87 88 A A T <45S- 0 0 57 -3,-1.6 -1,-0.2 -5,-0.1 -3,-0.1 0.781 125.7-100.0 -89.9 -42.8 11.5 12.8 13.7 88 89 A G T <5 + 0 0 38 -4,-1.2 -6,-0.1 1,-0.2 -2,-0.1 0.254 67.6 155.3 139.3 -0.3 8.8 14.2 16.0 89 90 A Q < + 0 0 19 -5,-1.5 -3,-0.2 1,-0.1 -1,-0.2 -0.164 12.3 168.5 -58.3 143.6 10.0 17.8 16.4 90 91 A T + 0 0 119 1,-0.5 2,-0.4 3,-0.1 -1,-0.1 0.603 67.6 47.8-119.5 -61.2 7.4 20.4 17.3 91 92 A V S S- 0 0 9 2,-0.1 2,-1.6 1,-0.1 -1,-0.5 -0.705 89.4-126.6 -87.3 132.3 9.2 23.5 18.3 92 93 A K S S+ 0 0 114 -2,-0.4 2,-0.3 -3,-0.1 -87,-0.1 -0.486 72.4 98.9 -82.7 71.4 11.9 24.2 15.8 93 94 A H S S- 0 0 0 -2,-1.6 -49,-0.2 -49,-0.2 2,-0.2 -0.977 81.5-102.5-150.9 133.2 15.0 24.5 18.0 94 95 A V + 0 0 3 -51,-1.3 2,-0.3 -2,-0.3 -51,-0.1 -0.439 54.5 167.9 -57.1 124.6 17.6 21.8 18.6 95 96 A H - 0 0 11 -13,-0.2 -13,-0.5 -2,-0.2 2,-0.5 -0.970 31.2-143.1-145.4 133.5 16.8 20.5 22.0 96 97 A V E -DE 37 81B 2 -59,-3.3 -59,-1.9 -2,-0.3 2,-0.4 -0.779 18.3-142.4 -87.4 127.8 18.0 17.4 24.0 97 98 A H E -DE 36 80B 31 -17,-2.2 -17,-1.4 -2,-0.5 2,-0.4 -0.739 14.8-163.6 -89.4 135.2 15.4 15.8 26.2 98 99 A V E -DE 35 79B 0 -63,-2.8 -63,-1.8 -2,-0.4 -19,-0.2 -0.985 7.6-177.8-121.7 123.9 16.7 14.5 29.5 99 100 A L E - E 0 78B 24 -21,-2.0 -21,-1.5 -2,-0.4 2,-0.3 -0.950 20.7-143.8-126.1 114.4 14.6 12.0 31.6 100 101 A P E - E 0 77B 7 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.605 29.8-151.3 -73.3 130.1 15.7 10.7 35.0 101 102 A R E + E 0 76B 67 -25,-4.1 -25,-2.5 -2,-0.3 -26,-1.9 -0.933 20.4 178.1-116.8 134.6 14.5 7.0 35.0 102 103 A K > - 0 0 99 -2,-0.4 3,-0.7 -28,-0.3 -28,-0.1 -0.586 43.9 -72.4-113.3 179.4 13.5 4.7 37.9 103 104 A A T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -2,-0.2 -27,-0.0 -0.188 109.4 3.9 -71.7 165.8 12.3 1.1 37.8 104 105 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.722 86.1 135.7 25.6 50.6 8.8 0.1 36.5 105 106 A D < 0 0 54 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.598 360.0 360.0-100.2 -7.0 8.2 3.7 35.5 106 107 A F 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.353 360.0 360.0 55.0 360.0 6.7 3.1 32.1 107 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 108 129 A W 0 0 119 0, 0.0 2,-0.3 0, 0.0 -80,-0.1 0.000 360.0 360.0 360.0-173.6 0.7 22.6 31.7 109 130 A R - 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