==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-12 4BAS . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR, PUTATIVE (SMALL GTPASE, . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI TREU927; . AUTHOR G.R.HEMSWORTH,H.P.PRICE,D.F.SMITH,K.S.WILSON . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 16 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 0 0 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A T 0 0 120 0, 0.0 45,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.1 26.8 32.7 29.0 2 7 A K E -a 46 0A 154 43,-0.2 2,-0.4 2,-0.0 45,-0.2 -0.956 360.0-167.2-126.0 138.6 27.3 32.4 25.2 3 8 A L E -a 47 0A 9 43,-2.5 45,-2.5 -2,-0.4 2,-0.5 -0.991 8.3-160.1-130.9 134.5 30.6 32.7 23.3 4 9 A Q E +a 48 0A 68 -2,-0.4 66,-2.6 43,-0.2 67,-0.9 -0.962 22.0 175.6-109.6 130.8 31.1 33.0 19.5 5 10 A V E -ab 49 71A 0 43,-2.9 45,-2.4 -2,-0.5 2,-0.4 -0.983 23.3-147.8-137.8 141.8 34.6 32.1 18.4 6 11 A V E -ab 50 72A 0 65,-1.8 67,-2.6 -2,-0.4 2,-0.6 -0.953 14.6-151.3-110.2 136.2 36.3 31.9 15.0 7 12 A M E +ab 51 73A 0 43,-3.0 45,-1.9 -2,-0.4 2,-0.2 -0.929 23.2 169.2-115.1 116.4 39.1 29.3 14.7 8 13 A C E + b 0 74A 0 65,-2.8 67,-2.6 -2,-0.6 2,-0.2 -0.696 13.4 114.3-126.3 168.1 41.8 30.0 12.1 9 14 A G - 0 0 0 65,-0.2 67,-0.1 -2,-0.2 3,-0.1 -0.648 62.9 -63.2 142.0 159.2 45.3 28.6 11.1 10 15 A L > - 0 0 5 65,-0.4 3,-1.6 -2,-0.2 5,-0.3 -0.161 68.5 -75.0 -69.1 163.7 46.8 27.0 8.1 11 16 A D T 3 S+ 0 0 56 43,-1.1 -1,-0.2 1,-0.3 42,-0.1 -0.247 118.6 18.5 -55.0 143.7 45.8 23.6 6.8 12 17 A N T 3 S+ 0 0 118 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.590 85.9 120.3 69.3 13.2 47.0 20.7 9.0 13 18 A S S < S- 0 0 2 -3,-1.6 65,-0.2 62,-0.1 -2,-0.1 0.808 86.2-106.3 -76.1 -29.8 47.7 22.9 12.0 14 19 A G > + 0 0 13 -4,-0.3 4,-2.4 61,-0.1 5,-0.2 0.580 69.9 142.2 115.8 19.8 45.2 20.9 14.1 15 20 A K H > S+ 0 0 11 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.907 77.6 41.9 -52.9 -52.4 42.2 23.2 14.5 16 21 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 112.8 53.4 -70.0 -38.7 39.6 20.5 14.3 17 22 A T H > S+ 0 0 38 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.934 111.5 47.4 -59.2 -45.8 41.5 18.1 16.5 18 23 A I H >X S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.6 0.941 110.3 49.5 -63.0 -49.2 41.7 20.8 19.2 19 24 A I H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 4,-0.6 0.888 105.4 58.6 -63.3 -35.1 38.1 21.8 19.1 20 25 A N H >< S+ 0 0 61 -4,-2.1 3,-0.5 1,-0.2 -1,-0.3 0.797 96.0 65.0 -62.8 -25.3 37.1 18.2 19.4 21 26 A Q H << S+ 0 0 64 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.738 106.3 41.8 -67.3 -22.7 39.0 18.0 22.7 22 27 A V H << S+ 0 0 10 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.474 95.1 97.7-105.0 -1.2 36.6 20.6 24.3 23 28 A K S << S- 0 0 67 -4,-0.6 19,-0.1 -3,-0.5 3,-0.1 -0.400 87.3 -83.8 -79.9 160.3 33.3 19.1 22.9 24 29 A P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.292 46.1-107.1 -59.7 148.7 31.1 16.8 24.9 25 30 A A 0 0 107 -3,-0.1 -4,-0.0 -4,-0.0 -3,-0.0 -0.502 360.0 360.0 -70.3 149.3 31.9 13.1 24.9 26 31 A Q 0 0 155 -2,-0.1 -1,-0.0 -3,-0.1 -3,-0.0 -0.857 360.0 360.0-142.4 360.0 29.4 11.2 22.8 27 ! 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 28 36 A H 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.9 37.3 10.2 12.2 29 37 A I + 0 0 92 3,-0.0 2,-0.3 -12,-0.0 3,-0.0 -0.592 360.0 173.0 -81.2 136.1 38.7 13.6 11.6 30 38 A T - 0 0 112 -2,-0.3 -14,-0.1 1,-0.1 3,-0.0 -0.894 45.4 -65.8-133.8 168.8 39.4 14.7 8.0 31 39 A A - 0 0 91 -2,-0.3 2,-0.6 1,-0.1 22,-0.1 -0.230 57.4-115.9 -56.4 138.3 40.5 18.0 6.4 32 40 A T - 0 0 31 20,-0.1 2,-0.8 2,-0.1 23,-0.3 -0.710 22.0-150.3 -86.5 118.6 37.8 20.6 6.7 33 41 A V S S- 0 0 116 -2,-0.6 2,-1.3 2,-0.1 -1,-0.0 -0.797 72.4 -32.1 -93.7 109.5 36.3 21.7 3.4 34 42 A G S S- 0 0 12 -2,-0.8 19,-2.7 21,-0.1 2,-0.3 -0.687 115.1 -51.2 86.1 -90.8 35.2 25.3 3.7 35 43 A Y E -C 52 0A 93 -2,-1.3 2,-0.3 17,-0.3 17,-0.2 -0.954 41.5-140.5-167.0 169.2 34.2 25.4 7.3 36 44 A N E -C 51 0A 70 15,-1.7 15,-2.9 -2,-0.3 2,-0.6 -0.989 16.1-136.3-137.7 140.9 32.2 23.7 10.0 37 45 A V E -C 50 0A 57 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.902 16.5-163.8 -98.2 123.1 30.1 25.2 12.8 38 46 A E E +C 49 0A 26 11,-3.2 11,-3.1 -2,-0.6 2,-0.5 -0.951 9.3 179.4-107.8 117.9 30.4 23.6 16.2 39 47 A T E +C 48 0A 96 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.985 23.9 128.8-118.2 121.7 27.7 24.5 18.7 40 48 A F E -C 47 0A 21 7,-1.8 7,-3.3 -2,-0.5 2,-0.3 -0.987 53.3-102.6-162.8 163.2 28.0 22.9 22.1 41 49 A E E -C 46 0A 145 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.779 26.0-177.3 -94.3 146.1 28.0 23.4 25.8 42 50 A K E > -C 45 0A 43 3,-2.8 3,-2.2 -2,-0.3 -19,-0.1 -0.949 66.3 -45.8-142.4 112.9 31.2 23.3 27.8 43 51 A G T 3 S- 0 0 78 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.376 123.9 -22.4 56.9-131.8 30.7 23.7 31.5 44 52 A R T 3 S+ 0 0 99 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.253 122.4 91.2 -89.1 10.3 28.3 26.6 32.1 45 53 A V E < - C 0 42A 15 -3,-2.2 -3,-2.8 -43,-0.0 2,-0.6 -0.886 63.9-146.0-114.5 138.6 29.0 28.1 28.6 46 54 A A E -aC 2 41A 34 -45,-2.5 -43,-2.5 -2,-0.4 2,-0.3 -0.912 25.6-159.0 -99.2 118.5 27.3 27.6 25.2 47 55 A F E -aC 3 40A 2 -7,-3.3 -7,-1.8 -2,-0.6 2,-0.4 -0.769 19.3-168.7 -99.6 142.7 29.9 27.9 22.4 48 56 A T E -aC 4 39A 32 -45,-2.5 -43,-2.9 -2,-0.3 2,-0.5 -0.974 20.0-178.1-123.7 113.9 29.5 28.7 18.7 49 57 A V E -aC 5 38A 0 -11,-3.1 -11,-3.2 -2,-0.4 2,-0.9 -0.959 23.2-151.7-119.9 124.5 32.8 28.0 17.0 50 58 A F E -aC 6 37A 40 -45,-2.4 -43,-3.0 -2,-0.5 2,-1.1 -0.849 14.9-161.5 -93.0 102.3 33.4 28.5 13.3 51 59 A D E -aC 7 36A 1 -15,-2.9 -15,-1.7 -2,-0.9 2,-0.1 -0.770 17.3-154.3 -88.8 95.7 36.1 25.9 12.6 52 60 A M E - C 0 35A 0 -45,-1.9 -17,-0.3 -2,-1.1 2,-0.2 -0.411 16.8-112.9 -74.9 143.8 37.5 27.2 9.3 53 61 A G - 0 0 0 -19,-2.7 -44,-0.1 5,-0.1 9,-0.1 -0.591 24.6-154.1 -65.2 138.1 39.2 25.2 6.7 54 62 A G + 0 0 5 -2,-0.2 -43,-1.1 -44,-0.1 -1,-0.1 0.527 52.9 116.0 -99.8 -11.6 42.9 26.3 6.6 55 63 A A S >> S- 0 0 29 -23,-0.3 3,-2.2 -45,-0.3 4,-0.8 -0.270 80.8-108.1 -54.2 147.6 43.8 25.4 3.0 56 64 A K G >4 S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.876 117.6 58.5 -50.2 -43.9 44.7 28.5 0.9 57 65 A K G 34 S+ 0 0 176 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.665 108.0 45.8 -64.8 -18.1 41.5 28.3 -1.1 58 66 A F G X> S+ 0 0 29 -3,-2.2 3,-1.8 1,-0.1 4,-0.6 0.562 86.5 87.7 -96.7 -9.8 39.3 28.6 2.0 59 67 A R G X< S+ 0 0 37 -3,-1.2 3,-0.6 -4,-0.8 4,-0.5 0.760 78.7 65.4 -66.4 -23.9 41.2 31.5 3.7 60 68 A G G 34 S+ 0 0 60 -4,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.759 96.9 58.2 -65.2 -23.9 39.0 34.0 1.8 61 69 A L G X> S+ 0 0 65 -3,-1.8 3,-2.1 1,-0.2 4,-0.6 0.776 84.2 81.1 -73.1 -29.4 36.0 32.7 3.8 62 70 A W G X< S+ 0 0 1 -3,-0.6 3,-1.8 -4,-0.6 -1,-0.2 0.851 84.7 58.6 -52.0 -43.4 37.5 33.4 7.2 63 71 A E G >4 S+ 0 0 107 -4,-0.5 3,-1.4 -3,-0.3 -1,-0.3 0.740 91.6 68.7 -62.1 -24.4 36.6 37.1 7.2 64 72 A T G <4 S+ 0 0 91 -3,-2.1 3,-0.5 1,-0.2 -1,-0.3 0.823 102.1 48.4 -60.6 -28.6 32.9 36.3 6.7 65 73 A Y G << S+ 0 0 41 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.227 84.9 87.7-101.9 15.7 32.9 34.9 10.3 66 74 A Y X + 0 0 8 -3,-1.4 3,-1.4 -4,-0.1 -1,-0.2 0.650 59.9 114.1 -83.5 -16.6 34.7 37.8 12.1 67 75 A D T 3 S- 0 0 92 -3,-0.5 33,-0.0 -4,-0.3 32,-0.0 -0.360 93.9 -13.0 -62.6 125.9 31.4 39.7 12.7 68 76 A N T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -2,-0.1 -64,-0.2 0.696 92.0 163.0 58.8 22.6 30.5 40.0 16.4 69 77 A I < - 0 0 2 -3,-1.4 -1,-0.2 30,-0.2 -64,-0.2 -0.476 34.3-156.4 -77.5 141.4 33.1 37.5 17.4 70 78 A D S S- 0 0 45 -66,-2.6 2,-0.3 1,-0.3 -65,-0.2 0.683 73.4 -1.8 -87.7 -22.9 34.2 37.3 21.1 71 79 A A E -b 5 0A 1 -67,-0.9 -65,-1.8 39,-0.1 2,-0.4 -0.978 57.8-133.2-163.5 153.1 37.6 35.7 20.4 72 80 A V E -bd 6 112A 0 39,-2.5 41,-3.1 -2,-0.3 2,-0.5 -0.946 14.2-159.5-107.5 133.5 39.9 34.4 17.7 73 81 A I E -bd 7 113A 0 -67,-2.6 -65,-2.8 -2,-0.4 2,-0.5 -0.977 10.5-169.9-107.9 122.0 41.7 31.0 18.2 74 82 A F E -bd 8 114A 0 39,-2.6 41,-2.0 -2,-0.5 2,-0.5 -0.956 4.8-159.3-118.4 113.6 44.7 30.8 16.0 75 83 A V E - d 0 115A 1 -67,-2.6 -65,-0.4 -2,-0.5 2,-0.4 -0.792 6.9-170.3 -97.3 123.6 46.4 27.3 15.7 76 84 A V E - d 0 116A 2 39,-2.7 41,-2.0 -2,-0.5 2,-1.0 -0.941 25.8-132.0-109.7 134.5 50.0 27.1 14.6 77 85 A D E > - d 0 117A 18 -2,-0.4 3,-1.6 1,-0.2 41,-0.2 -0.817 21.8-161.0 -78.7 104.5 51.8 23.8 13.7 78 86 A S T 3 S+ 0 0 1 39,-2.5 47,-1.0 -2,-1.0 -1,-0.2 0.677 86.4 55.5 -65.7 -16.1 54.9 24.6 15.8 79 87 A S T 3 S+ 0 0 30 38,-0.4 2,-1.1 45,-0.2 -1,-0.3 0.455 84.7 87.5 -93.4 -5.4 56.8 21.9 13.8 80 88 A D X + 0 0 37 -3,-1.6 3,-0.7 1,-0.2 4,-0.2 -0.686 47.0 164.0 -99.5 80.9 56.1 23.4 10.3 81 89 A H G > + 0 0 123 -2,-1.1 3,-1.2 1,-0.2 4,-0.3 0.827 64.8 66.8 -64.9 -34.1 59.0 25.9 10.0 82 90 A L G 3 S+ 0 0 134 1,-0.3 3,-0.3 -3,-0.2 -1,-0.2 0.740 105.3 40.4 -63.1 -27.1 58.6 26.4 6.2 83 91 A R G <> S+ 0 0 63 -3,-0.7 4,-2.7 1,-0.2 3,-0.4 0.253 76.8 105.5-113.1 12.7 55.2 28.2 6.4 84 92 A L H <> S+ 0 0 11 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.842 81.6 57.2 -59.8 -29.5 55.8 30.3 9.5 85 93 A C H > S+ 0 0 87 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.865 106.1 48.7 -67.0 -35.0 56.0 33.2 6.9 86 94 A V H > S+ 0 0 43 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.928 107.9 54.3 -70.3 -44.2 52.5 32.3 5.7 87 95 A V H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.943 109.4 49.4 -48.9 -48.8 51.3 32.2 9.3 88 96 A K H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 109.8 48.9 -60.2 -44.4 52.6 35.8 9.7 89 97 A S H X S+ 0 0 54 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.896 111.7 49.8 -69.1 -32.2 51.0 37.2 6.6 90 98 A E H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.936 110.3 49.0 -72.3 -41.9 47.6 35.7 7.5 91 99 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.938 113.4 48.9 -58.2 -46.9 47.7 37.1 11.0 92 100 A Q H X S+ 0 0 83 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.909 111.2 49.9 -57.1 -45.4 48.7 40.5 9.5 93 101 A A H < S+ 0 0 56 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.888 111.2 48.1 -63.4 -41.7 45.8 40.2 6.9 94 102 A M H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 6,-0.3 0.891 104.3 59.0 -70.9 -33.6 43.2 39.4 9.6 95 103 A L H 3< S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 99.5 59.7 -67.0 -23.5 44.2 42.2 11.9 96 104 A K T 3< S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.646 82.5 105.7 -78.4 -13.3 43.5 44.7 9.1 97 105 A H S X> S- 0 0 45 -3,-1.5 4,-2.6 -4,-0.4 3,-1.1 -0.405 75.8-126.7 -74.0 144.3 39.8 43.7 8.9 98 106 A E H 3> S+ 0 0 69 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.834 106.6 52.0 -59.1 -41.9 37.2 46.0 10.4 99 107 A D H 34 S+ 0 0 45 2,-0.2 -1,-0.3 1,-0.2 -30,-0.2 0.663 113.8 44.0 -73.1 -18.3 35.5 43.5 12.6 100 108 A I H <4 S+ 0 0 0 -3,-1.1 10,-0.6 -6,-0.3 -2,-0.2 0.820 115.3 49.0 -88.8 -40.6 38.8 42.4 14.1 101 109 A R H < S+ 0 0 141 -4,-2.6 -2,-0.2 -7,-0.2 -3,-0.2 0.764 87.6 115.0 -61.6 -31.8 40.0 46.1 14.5 102 110 A R S < S- 0 0 54 -4,-1.7 8,-0.5 -5,-0.2 2,-0.4 -0.057 72.7-114.3 -56.5 141.8 36.7 47.3 16.1 103 111 A E B -F 109 0B 73 6,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.604 38.7-119.9 -68.9 124.3 36.6 48.6 19.8 104 112 A L > - 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