==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-JUN-02 1M0E . COMPND 2 MOLECULE: 5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHOU,X.CHENG,B.A.CONNOLLY,M.J.DICKMAN,P.J.HURD,D.P.HORNBY . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 9.1 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 . 1 0.3 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 . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 71 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 174.7 -28.7 31.9 70.0 2 2 A I - 0 0 47 306,-0.1 2,-0.4 307,-0.1 28,-0.0 -0.758 360.0 -93.1-121.4 169.8 -29.2 32.0 66.2 3 3 A E - 0 0 159 -2,-0.2 2,-0.7 1,-0.0 27,-0.0 -0.689 30.8-155.1 -88.6 131.9 -29.2 29.5 63.3 4 4 A I - 0 0 14 -2,-0.4 3,-0.1 26,-0.2 -1,-0.0 -0.921 12.4-179.0-111.3 111.8 -25.9 29.1 61.5 5 5 A K S S+ 0 0 179 -2,-0.7 2,-0.9 1,-0.2 -1,-0.2 0.968 72.7 52.1 -71.5 -62.2 -26.3 27.8 57.9 6 6 A D S S- 0 0 100 1,-0.1 2,-2.3 2,-0.0 -1,-0.2 -0.727 78.9-147.1 -81.2 107.7 -22.6 27.6 56.8 7 7 A K > + 0 0 90 -2,-0.9 3,-1.9 1,-0.2 24,-0.1 -0.499 23.2 177.3 -75.1 80.1 -20.8 25.5 59.4 8 8 A Q T 3 S+ 0 0 34 -2,-2.3 -1,-0.2 1,-0.3 24,-0.1 0.752 75.1 50.2 -54.6 -31.4 -17.5 27.4 59.0 9 9 A L T > S+ 0 0 0 22,-1.9 3,-2.3 19,-0.2 -1,-0.3 0.259 75.2 140.6 -97.1 12.7 -15.8 25.4 61.8 10 10 A T T < S+ 0 0 92 -3,-1.9 23,-0.2 21,-0.5 3,-0.1 -0.276 72.9 20.5 -54.9 135.2 -16.8 22.0 60.5 11 11 A G T 3 S+ 0 0 68 21,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.398 97.7 120.3 86.3 -3.9 -13.9 19.6 61.0 12 12 A L < - 0 0 24 -3,-2.3 22,-3.0 20,-0.2 2,-0.3 -0.781 51.6-147.5 -99.8 137.6 -12.2 21.7 63.7 13 13 A R E +a 34 0A 84 -2,-0.4 60,-2.4 20,-0.2 61,-1.7 -0.800 20.3 178.9-100.1 145.6 -11.5 20.5 67.2 14 14 A F E -ab 35 74A 0 20,-2.2 22,-2.5 -2,-0.3 23,-0.6 -0.938 21.7-133.7-143.0 160.0 -11.6 22.9 70.2 15 15 A I E -ab 37 75A 0 59,-1.7 61,-2.6 -2,-0.3 2,-0.8 -0.955 11.9-143.0-118.0 144.2 -11.2 22.8 74.0 16 16 A D E > -ab 38 76A 0 21,-3.1 23,-2.2 -2,-0.4 3,-0.8 -0.733 24.2-176.8-106.9 78.6 -13.6 24.4 76.5 17 17 A L E 3 S+ b 0 77A 0 59,-2.2 61,-0.7 -2,-0.8 23,-0.1 -0.469 72.7 13.9 -77.3 152.5 -11.4 25.8 79.3 18 18 A F T 3 S- 0 0 1 21,-0.3 -1,-0.2 59,-0.2 22,-0.2 0.866 87.7-176.8 48.8 42.9 -13.1 27.5 82.3 19 19 A A X + 0 0 0 20,-2.6 3,-2.5 -3,-0.8 4,-0.5 0.696 13.1 164.2 -39.8 -45.6 -16.2 25.8 80.8 20 20 A G T 3 S- 0 0 3 1,-0.3 -1,-0.2 309,-0.2 29,-0.2 -0.377 79.6 -12.5 57.0-124.5 -18.8 27.1 83.2 21 21 A L T 3 S- 0 0 0 280,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.615 100.0-106.8 -80.4 -15.4 -22.1 26.5 81.5 22 22 A G <> + 0 0 0 -3,-2.5 4,-2.4 -4,-0.2 3,-0.3 0.731 64.1 152.2 94.6 26.3 -20.5 25.8 78.1 23 23 A G H > S+ 0 0 0 306,-1.6 4,-2.8 -4,-0.5 5,-0.2 0.919 76.8 50.7 -54.4 -46.6 -21.3 29.0 76.2 24 24 A F H > S+ 0 0 0 305,-0.5 4,-3.1 -5,-0.3 5,-0.3 0.856 109.0 54.0 -61.2 -32.2 -18.2 28.6 74.0 25 25 A R H > S+ 0 0 17 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.945 108.7 46.3 -68.3 -47.1 -19.4 25.0 73.3 26 26 A L H X S+ 0 0 21 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.965 116.8 47.1 -57.6 -49.1 -22.9 26.1 72.2 27 27 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.951 117.2 38.1 -59.7 -56.5 -21.3 28.8 70.0 28 28 A L H ><>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-0.9 0.860 115.4 53.1 -69.9 -33.5 -18.5 26.7 68.3 29 29 A E H ><5S+ 0 0 73 -4,-2.5 3,-2.7 -5,-0.3 -1,-0.2 0.902 100.5 61.0 -65.1 -38.2 -20.7 23.6 67.9 30 30 A S T 3<5S+ 0 0 18 -4,-2.1 -1,-0.2 -5,-0.3 -26,-0.2 0.684 105.0 51.2 -61.6 -15.9 -23.4 25.6 66.2 31 31 A C T < 5S- 0 0 0 -3,-0.9 -22,-1.9 -4,-0.4 -21,-0.5 0.308 128.4 -99.3-101.0 2.5 -20.6 26.3 63.6 32 32 A G T < 5S+ 0 0 26 -3,-2.7 -21,-0.9 1,-0.3 -3,-0.2 0.511 75.5 140.7 95.0 3.1 -19.8 22.6 63.2 33 33 A A < - 0 0 6 -5,-2.2 2,-0.4 -23,-0.2 -1,-0.3 -0.527 46.3-130.0 -79.9 152.4 -16.7 22.5 65.5 34 34 A E E -a 13 0A 116 -22,-3.0 -20,-2.2 -25,-0.3 2,-0.6 -0.875 10.5-137.1-108.6 128.9 -16.2 19.4 67.7 35 35 A C E +a 14 0A 14 -2,-0.4 -20,-0.2 -22,-0.2 3,-0.1 -0.749 26.4 170.2 -85.7 122.8 -15.4 19.7 71.4 36 36 A V E + 0 0 29 -22,-2.5 2,-0.3 -2,-0.6 -21,-0.2 0.362 62.9 19.6-113.9 1.8 -12.6 17.4 72.5 37 37 A Y E -a 15 0A 22 -23,-0.6 -21,-3.1 32,-0.1 2,-0.3 -0.909 55.5-172.7-168.9 140.7 -11.9 18.6 76.0 38 38 A S E -a 16 0A 3 -2,-0.3 20,-2.4 -23,-0.2 2,-0.4 -0.984 2.7-169.4-138.9 149.1 -13.5 20.6 78.8 39 39 A N B +f 58 0B 2 -23,-2.2 -20,-2.6 -2,-0.3 -21,-0.3 -0.982 21.1 143.8-142.3 129.8 -12.2 21.9 82.1 40 40 A E - 0 0 0 18,-2.8 6,-0.1 -2,-0.4 -2,-0.0 -0.807 25.5-163.8-164.6 120.4 -14.2 23.4 84.9 41 41 A W + 0 0 134 -2,-0.2 2,-0.4 18,-0.2 18,-0.1 0.704 57.6 102.5 -87.2 -20.8 -13.5 23.0 88.7 42 42 A D > - 0 0 36 1,-0.1 4,-2.9 2,-0.1 5,-0.2 -0.523 66.4-141.5 -69.3 121.8 -16.8 24.1 90.3 43 43 A K H > S+ 0 0 50 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.863 99.5 42.7 -46.4 -53.2 -18.9 21.1 91.4 44 44 A Y H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 111.3 54.4 -68.8 -35.2 -22.3 22.6 90.4 45 45 A A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.964 107.4 51.6 -63.5 -44.6 -21.0 24.0 87.1 46 46 A Q H X S+ 0 0 26 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.846 106.3 57.3 -59.3 -34.5 -19.8 20.5 86.3 47 47 A E H X S+ 0 0 91 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.972 110.7 39.0 -61.1 -54.4 -23.3 19.3 87.1 48 48 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.866 114.6 55.0 -64.8 -39.2 -25.1 21.5 84.6 49 49 A Y H >X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 3,-0.6 0.979 112.2 42.6 -58.0 -52.3 -22.4 21.0 82.0 50 50 A E H 3X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.847 109.7 58.3 -60.8 -37.1 -22.8 17.3 82.2 51 51 A M H 3< S+ 0 0 78 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.827 119.0 31.1 -61.5 -34.7 -26.6 17.7 82.3 52 52 A N H << S+ 0 0 38 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.750 134.6 24.9 -97.8 -26.7 -26.4 19.5 78.9 53 53 A F H < S- 0 0 37 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.474 95.8-122.5-117.8 -5.5 -23.3 17.9 77.2 54 54 A G S < S+ 0 0 61 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.840 78.3 82.6 69.5 39.5 -23.0 14.4 78.9 55 55 A E S S- 0 0 64 -9,-0.2 -2,-0.2 -6,-0.1 -1,-0.2 -0.958 72.5-122.8-167.4 145.9 -19.5 14.6 80.3 56 56 A K - 0 0 134 -2,-0.3 -18,-0.2 -6,-0.1 2,-0.1 -0.842 32.2-122.8 -99.2 132.2 -17.9 16.1 83.3 57 57 A P - 0 0 3 0, 0.0 -18,-0.3 0, 0.0 -11,-0.1 -0.450 32.0 -99.2 -69.6 152.2 -15.1 18.6 82.8 58 58 A E B -f 39 0B 83 -20,-2.4 -18,-2.8 -2,-0.1 3,-0.2 -0.194 44.3-117.9 -65.1 161.0 -11.7 18.0 84.2 59 59 A G S S+ 0 0 30 1,-0.2 -18,-0.2 -20,-0.2 4,-0.1 -0.297 70.8 7.4 -95.3-174.1 -10.9 19.9 87.5 60 60 A D > - 0 0 51 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.555 56.4-156.5 -1.0 99.7 -8.4 22.5 88.5 61 61 A I G > S+ 0 0 6 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.723 88.9 69.1 -61.4 -26.7 -6.6 23.5 85.4 62 62 A T G 3 S+ 0 0 52 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.754 104.5 42.1 -67.6 -20.4 -3.6 24.7 87.4 63 63 A Q G < S+ 0 0 153 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.2 0.419 89.6 108.5-103.0 -1.8 -2.9 21.0 88.2 64 64 A V S < S- 0 0 8 -3,-0.8 2,-0.9 -4,-0.4 3,-0.0 -0.657 74.7-123.3 -81.2 127.6 -3.5 19.7 84.8 65 65 A N > - 0 0 74 -2,-0.4 3,-3.6 1,-0.2 4,-0.5 -0.611 16.9-140.7 -73.3 107.4 -0.4 18.5 83.0 66 66 A E G > S+ 0 0 46 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.786 98.3 62.8 -32.5 -46.6 -0.4 20.6 79.7 67 67 A K G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.698 92.7 62.9 -61.1 -20.0 0.8 17.6 77.8 68 68 A T G < S+ 0 0 85 -3,-3.6 -1,-0.2 2,-0.1 -2,-0.2 0.669 77.4 105.6 -81.3 -15.4 -2.3 15.5 78.6 69 69 A I S < S- 0 0 2 -3,-1.4 3,-0.1 -4,-0.5 -32,-0.1 -0.429 79.5-107.5 -70.6 130.9 -4.7 17.8 76.7 70 70 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.265 41.1 -93.3 -56.9 145.5 -5.9 16.5 73.3 71 71 A D + 0 0 108 2,-0.0 2,-0.3 42,-0.0 41,-0.1 -0.253 57.7 175.1 -56.6 145.9 -4.6 18.1 70.2 72 72 A H - 0 0 10 39,-0.3 42,-0.2 1,-0.1 -58,-0.2 -0.991 40.5-142.7-155.1 161.9 -7.0 20.9 69.1 73 73 A D S S+ 0 0 31 -60,-2.4 42,-2.7 -2,-0.3 41,-0.7 0.750 90.5 31.2 -97.1 -30.3 -7.4 23.7 66.5 74 74 A I E -bc 14 115A 0 -61,-1.7 -59,-1.7 40,-0.2 2,-0.6 -0.996 64.7-155.1-136.2 123.8 -9.1 26.4 68.7 75 75 A L E -bc 15 116A 0 40,-3.2 42,-3.2 -2,-0.4 2,-0.4 -0.911 16.5-160.5 -96.9 123.2 -8.6 26.9 72.5 76 76 A C E +bc 16 117A 0 -61,-2.6 -59,-2.2 -2,-0.6 2,-0.2 -0.883 17.8 163.2-106.8 139.8 -11.6 28.6 74.0 77 77 A A E -bc 17 118A 0 40,-2.5 42,-1.8 -2,-0.4 2,-1.0 -0.773 28.3-179.8-162.5 109.8 -11.3 30.4 77.4 78 78 A G E - c 0 119A 0 -61,-0.7 42,-0.1 40,-0.2 3,-0.1 -0.838 39.5-162.1-103.7 84.6 -13.5 32.9 79.2 79 79 A F - 0 0 5 -2,-1.0 -2,-0.1 40,-0.6 19,-0.0 -0.231 30.0 -63.6 -71.4 161.1 -11.1 33.0 82.2 80 80 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 -0.054 44.7-176.6 -43.5 139.7 -11.9 34.4 85.7 81 81 A C >> + 0 0 27 -3,-0.1 4,-2.5 2,-0.1 3,-2.4 0.526 56.0 96.3-120.8 -10.4 -12.7 38.1 85.9 82 82 A Q T 34 S+ 0 0 40 1,-0.3 8,-0.6 2,-0.2 7,-0.3 0.857 87.2 56.0 -50.3 -34.3 -13.2 38.9 89.6 83 83 A A T 34 S+ 0 0 0 14,-0.4 9,-2.2 1,-0.2 -1,-0.3 0.567 119.5 29.4 -76.9 -6.8 -9.6 40.1 89.7 84 84 A F T <4 S+ 0 0 1 -3,-2.4 -2,-0.2 7,-0.1 -1,-0.2 0.560 88.0 118.4-126.8 -18.4 -10.2 42.6 86.8 85 85 A S >< - 0 0 26 -4,-2.5 3,-1.4 1,-0.1 5,-0.2 -0.165 67.4-129.8 -57.2 145.9 -13.8 43.6 87.0 86 86 A I T 3 S+ 0 0 132 1,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.760 109.1 60.9 -65.4 -22.6 -14.7 47.2 87.6 87 87 A S T 3 S+ 0 0 63 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.513 103.0 55.5 -84.3 -6.9 -16.9 45.9 90.4 88 88 A G S < S- 0 0 38 -3,-1.4 -5,-0.1 -6,-0.1 -6,-0.0 -0.168 102.4 -79.3-109.5-157.2 -14.2 44.2 92.4 89 89 A K - 0 0 179 -7,-0.3 -6,-0.1 -2,-0.1 -3,-0.1 0.648 50.5-140.2 -79.0 -25.7 -10.8 45.0 94.1 90 90 A Q + 0 0 80 -8,-0.6 -7,-0.1 -5,-0.2 38,-0.1 0.669 47.2 150.1 68.6 25.1 -8.8 44.9 90.9 91 91 A K > + 0 0 140 1,-0.2 3,-1.8 2,-0.1 -7,-0.1 0.479 30.6 180.0 -65.2 -4.0 -5.8 43.1 92.4 92 92 A G G > + 0 0 2 -9,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.026 59.7 4.9 45.9-129.4 -5.2 41.6 88.9 93 93 A F G 3 S+ 0 0 43 1,-0.3 -1,-0.3 6,-0.1 5,-0.1 0.597 127.0 65.1 -63.7 -11.5 -2.2 39.2 88.4 94 94 A E G < S+ 0 0 175 -3,-1.8 2,-0.4 -11,-0.1 -1,-0.3 0.081 86.4 93.3 -98.5 23.2 -1.5 39.5 92.1 95 95 A D S X S- 0 0 17 -3,-1.5 3,-2.6 1,-0.1 4,-0.4 -0.923 82.4-124.3-118.7 140.8 -4.9 37.7 92.9 96 96 A S T 3 S+ 0 0 107 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.741 116.4 37.8 -51.4 -31.7 -5.3 34.0 93.5 97 97 A R T 3 S+ 0 0 102 1,-0.1 -14,-0.4 -5,-0.1 -1,-0.3 -0.003 105.4 73.6-109.6 21.8 -8.0 33.9 90.8 98 98 A G S < S+ 0 0 2 -3,-2.6 3,-0.2 -5,-0.1 -2,-0.2 0.363 79.5 67.9-117.7 5.0 -6.1 36.4 88.5 99 99 A T >> + 0 0 55 -4,-0.4 3,-2.0 -3,-0.2 4,-0.7 0.477 63.6 105.4-103.1 -1.6 -3.2 34.3 87.2 100 100 A L H >> + 0 0 14 1,-0.3 4,-2.1 2,-0.2 3,-0.9 0.794 66.4 71.3 -51.7 -29.1 -5.2 31.9 85.0 101 101 A F H 3> S+ 0 0 1 1,-0.3 4,-2.8 -3,-0.2 -1,-0.3 0.905 95.0 55.3 -57.5 -35.1 -4.2 33.5 81.8 102 102 A F H <> S+ 0 0 82 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.836 104.0 53.0 -68.7 -27.2 -0.7 32.1 82.5 103 103 A D H - 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