==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-JAN-10 3LLX . COMPND 2 MOLECULE: PREDICTED AMINO ACID ALDOLASE OR RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: IDIOMARINA LOIHIENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 373 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 10.7 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 . 2 0.5 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 1 2 1 0 3 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 4 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 . 1 2 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 1 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 3 A S 0 0 142 0, 0.0 3,-0.1 0, 0.0 301,-0.1 0.000 360.0 360.0 360.0 131.0 47.3 50.0 49.1 2 4 A A - 0 0 24 1,-0.1 300,-0.1 2,-0.1 299,-0.0 -0.375 360.0 -81.8 -71.9 157.1 43.8 48.9 48.3 3 5 A P > - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.303 37.4-115.7 -60.9 152.7 41.0 51.5 48.9 4 6 A D G > S+ 0 0 142 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.788 108.0 71.4 -58.9 -28.6 39.7 51.7 52.5 5 7 A W G > S+ 0 0 28 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.673 73.8 81.1 -70.5 -13.6 36.3 50.5 51.4 6 8 A I G < S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.860 91.7 55.2 -55.5 -31.4 37.5 47.0 50.8 7 9 A A G < S+ 0 0 62 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.451 95.2 72.9 -79.7 -1.1 37.1 46.6 54.6 8 10 A H S < S+ 0 0 135 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.947 75.8 71.7 -86.3 -49.1 33.5 47.8 54.7 9 11 A P S S- 0 0 24 0, 0.0 4,-0.1 0, 0.0 2,-0.0 -0.375 89.9-104.5 -71.2 145.5 31.2 45.0 53.2 10 12 A D - 0 0 156 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 -0.378 59.0 -73.0 -65.0 148.3 30.7 41.9 55.4 11 13 A T S S+ 0 0 29 -4,-0.1 248,-0.2 -3,-0.1 2,-0.1 -0.519 97.1 43.5 -96.5 162.3 32.7 38.9 54.2 12 14 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 247,-0.2 0.649 73.8 146.6 -80.7 155.2 33.0 36.7 52.2 13 15 A Y E -A 258 0A 10 245,-1.7 245,-2.8 -2,-0.1 2,-0.4 -0.977 46.7-108.8-147.5 159.2 32.4 38.7 49.0 14 16 A L E -Ab 257 355A 0 340,-0.5 342,-3.1 -2,-0.3 2,-0.4 -0.771 29.3-163.4 -92.8 135.2 33.7 38.6 45.4 15 17 A L E -Ab 256 356A 0 241,-3.2 241,-1.8 -2,-0.4 2,-0.4 -0.977 3.4-165.1-124.5 123.8 35.9 41.5 44.3 16 18 A I E -Ab 255 357A 0 340,-2.7 342,-2.8 -2,-0.4 2,-0.8 -0.935 16.1-140.7-109.0 129.3 36.6 42.3 40.6 17 19 A D E > - b 0 358A 25 237,-2.6 4,-2.6 -2,-0.4 342,-0.2 -0.810 12.3-163.9 -89.9 105.2 39.6 44.6 39.7 18 20 A E H > S+ 0 0 14 340,-2.6 4,-3.0 -2,-0.8 5,-0.2 0.866 85.0 56.0 -60.1 -42.8 38.2 46.8 36.8 19 21 A A H > S+ 0 0 47 339,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.931 112.5 42.5 -58.4 -41.6 41.7 48.1 35.7 20 22 A K H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.936 111.9 54.3 -73.9 -43.7 42.9 44.5 35.2 21 23 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.965 110.7 46.9 -45.9 -55.0 39.6 43.4 33.6 22 24 A K H X S+ 0 0 81 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.883 112.4 49.5 -61.8 -41.0 40.0 46.3 31.0 23 25 A S H X S+ 0 0 71 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.948 111.1 48.7 -61.5 -49.2 43.6 45.4 30.3 24 26 A N H X S+ 0 0 7 -4,-2.9 4,-1.6 212,-0.2 -2,-0.2 0.910 113.9 47.3 -58.6 -42.4 42.9 41.7 29.8 25 27 A I H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.928 111.4 49.6 -65.5 -44.3 40.0 42.6 27.4 26 28 A N H X S+ 0 0 95 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.903 107.2 56.5 -64.2 -41.7 42.0 45.1 25.4 27 29 A Y H X S+ 0 0 129 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.924 110.8 41.2 -58.1 -48.4 44.9 42.6 25.0 28 30 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.4 0.904 112.6 54.2 -72.1 -40.8 42.8 39.9 23.4 29 31 A K H X S+ 0 0 43 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.952 112.8 43.0 -55.0 -49.7 40.8 42.3 21.2 30 32 A Q H X S+ 0 0 99 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.864 115.0 51.2 -66.9 -34.3 43.9 43.8 19.7 31 33 A R H X S+ 0 0 50 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.968 112.9 42.4 -67.1 -53.7 45.6 40.3 19.3 32 34 A V H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 3,-0.5 0.902 114.9 50.5 -63.1 -41.4 42.7 38.6 17.5 33 35 A E H ><5S+ 0 0 80 -4,-2.1 3,-1.6 -5,-0.4 -1,-0.2 0.909 107.0 54.5 -66.4 -34.6 42.0 41.7 15.2 34 36 A S H 3<5S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 104.8 56.6 -67.1 -22.4 45.7 41.8 14.3 35 37 A L T <<5S- 0 0 44 -4,-1.1 189,-0.9 -3,-0.5 -1,-0.3 0.179 125.7 -99.4 -96.6 15.0 45.4 38.2 13.2 36 38 A G T < 5S+ 0 0 51 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.660 91.4 79.8 85.2 20.5 42.6 38.9 10.8 37 39 A S < - 0 0 13 -5,-1.9 2,-0.3 189,-0.1 -1,-0.3 -0.563 63.5-128.4-134.2-164.6 39.5 37.9 12.7 38 40 A H - 0 0 82 190,-0.4 192,-2.0 189,-0.2 2,-0.2 -0.984 24.5 -99.4-150.2 162.7 37.2 39.4 15.5 39 41 A L B -g 230 0B 21 -2,-0.3 192,-0.2 190,-0.2 -10,-0.0 -0.539 14.3-169.9 -86.4 148.1 35.8 38.3 18.7 40 42 A R - 0 0 2 190,-2.4 192,-0.3 -2,-0.2 23,-0.2 -0.814 36.8-148.7-118.8 84.3 32.4 36.9 19.8 41 43 A P - 0 0 5 0, 0.0 23,-2.6 0, 0.0 2,-0.5 -0.151 5.5-126.1 -59.4 148.3 33.1 37.2 23.5 42 44 A H B -h 64 0B 1 190,-2.9 3,-0.4 21,-0.2 23,-0.2 -0.843 15.2-164.8 -95.9 127.5 31.5 34.7 25.9 43 45 A L > + 0 0 2 21,-2.7 4,-2.5 -2,-0.5 3,-0.4 0.456 64.3 94.9 -87.9 -0.8 29.5 36.3 28.7 44 46 A X T 4 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 21,-0.1 0.580 71.6 63.8 -79.6 -12.9 29.3 33.2 30.9 45 47 A T T 4 S+ 0 0 1 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.953 124.3 13.7 -69.3 -47.4 32.2 33.7 33.2 46 48 A L T 4 S- 0 0 4 -3,-0.4 324,-0.2 187,-0.1 -2,-0.2 0.804 79.4-163.3-100.6 -36.8 30.8 36.9 34.7 47 49 A R < + 0 0 21 -4,-2.5 323,-3.1 1,-0.2 2,-0.3 0.869 42.7 129.6 50.1 45.8 27.1 36.9 33.6 48 50 A T B > -O 369 0C 0 -5,-0.2 4,-1.0 321,-0.2 -1,-0.2 -0.912 67.1-127.8-119.5 156.0 26.5 40.6 34.4 49 51 A L H > S+ 0 0 78 319,-0.5 4,-1.0 -2,-0.3 3,-0.5 0.901 111.3 57.9 -63.2 -37.4 25.0 43.3 32.2 50 52 A E H >> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.881 97.1 61.0 -63.8 -36.1 28.1 45.4 32.9 51 53 A A H 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.869 98.4 56.9 -58.9 -38.4 30.5 42.8 31.5 52 54 A A H 3X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.5 -1,-0.3 0.867 102.5 55.8 -62.4 -35.4 28.8 43.0 28.1 53 55 A G H << S+ 0 0 47 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.903 110.3 44.5 -65.4 -36.0 29.6 46.7 28.0 54 56 A Y H < S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 120.6 40.5 -69.9 -34.5 33.3 46.0 28.6 55 57 A L H < S+ 0 0 16 -4,-1.8 2,-0.4 -5,-0.2 -2,-0.2 0.693 107.4 63.0 -89.0 -26.8 33.4 43.2 26.1 56 58 A L < - 0 0 15 -4,-2.2 3,-0.1 -5,-0.2 7,-0.1 -0.887 62.6-148.2-115.2 137.5 31.3 44.4 23.2 57 59 A D S S- 0 0 123 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.751 83.7 -8.3 -69.1 -28.3 31.8 47.5 20.9 58 60 A S S > S- 0 0 56 4,-0.0 3,-1.3 1,-0.0 -1,-0.1 -0.948 78.2 -91.9-159.2 172.6 28.0 48.0 20.5 59 61 A K T 3 S+ 0 0 106 -2,-0.3 21,-2.0 1,-0.3 22,-0.5 0.718 124.8 51.6 -68.1 -22.4 24.6 46.5 21.3 60 62 A S T 3 S+ 0 0 73 19,-0.2 -1,-0.3 20,-0.2 3,-0.1 0.454 82.5 116.7 -92.5 -3.2 24.7 44.8 17.9 61 63 A A S < S- 0 0 18 -3,-1.3 20,-0.4 1,-0.1 19,-0.1 -0.398 77.5 -97.6 -65.9 138.2 28.2 43.2 18.3 62 64 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.351 50.3 172.9 -58.2 134.7 28.2 39.4 18.3 63 65 A A E - i 0 82B 0 18,-2.1 20,-2.5 -23,-0.2 2,-0.4 -0.904 24.8-131.6-136.6 164.4 28.3 37.7 21.8 64 66 A T E -hi 42 83B 0 -23,-2.6 -21,-2.7 -2,-0.3 2,-0.3 -0.947 19.6-173.2-117.9 142.2 28.0 34.2 23.2 65 67 A V E - i 0 84B 0 18,-2.9 20,-2.2 -2,-0.4 3,-0.1 -0.927 21.2-151.3-131.9 156.8 25.8 33.1 26.1 66 68 A S S S+ 0 0 23 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.453 78.4 27.7-107.8 -5.3 25.5 29.8 28.0 67 69 A T S > S- 0 0 6 306,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.970 72.5-119.0-150.2 158.8 21.8 29.9 29.0 68 70 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.737 114.2 65.4 -75.1 -19.6 18.5 31.3 27.9 69 71 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 106.7 41.9 -59.7 -48.3 18.5 33.2 31.3 70 72 A E H > S+ 0 0 0 302,-0.2 4,-2.8 2,-0.2 5,-0.3 0.947 113.4 53.0 -61.7 -48.1 21.5 35.1 29.9 71 73 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 111.3 45.6 -55.4 -46.2 19.9 35.5 26.5 72 74 A E H X S+ 0 0 71 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.890 114.2 48.5 -64.9 -41.8 16.8 37.0 27.9 73 75 A A H X S+ 0 0 26 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.937 114.7 43.6 -65.9 -46.8 18.6 39.4 30.3 74 76 A Y H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.2 0.882 112.7 53.5 -69.0 -36.0 21.0 40.6 27.6 75 77 A A H ><5S+ 0 0 14 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 0.927 106.7 51.8 -62.4 -41.9 18.2 41.0 25.1 76 78 A K H 3<5S+ 0 0 196 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.6 54.9 -61.8 -33.5 16.2 43.1 27.5 77 79 A A T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.436 129.2 -97.8 -77.2 -3.6 19.3 45.3 27.9 78 80 A G T < 5S+ 0 0 31 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.448 74.1 142.8 102.8 4.4 19.3 45.8 24.1 79 81 A Y < - 0 0 21 -5,-2.6 -1,-0.3 -6,-0.1 -19,-0.2 -0.644 22.3-179.5 -82.3 131.4 21.9 43.2 22.8 80 82 A T + 0 0 51 -21,-2.0 25,-2.9 -2,-0.4 2,-0.4 0.387 59.6 64.0-118.8 3.9 20.7 41.8 19.5 81 83 A D E + j 0 105B 30 -22,-0.5 -18,-2.1 -20,-0.4 2,-0.4 -0.855 61.8 155.2-134.9 95.8 23.3 39.2 18.4 82 84 A L E -ij 63 106B 1 23,-1.8 25,-2.4 -2,-0.4 2,-0.7 -0.979 30.2-156.1-134.2 119.1 23.6 36.3 20.8 83 85 A L E -ij 64 107B 0 -20,-2.5 -18,-2.9 -2,-0.4 2,-1.2 -0.860 11.6-150.6 -95.6 115.2 24.8 32.7 20.2 84 86 A Y E -i 65 0B 15 23,-2.9 2,-1.2 -2,-0.7 25,-0.4 -0.765 18.0-163.9 -84.4 97.7 23.3 30.3 22.8 85 87 A A E + 0 0 4 -20,-2.2 2,-0.3 -2,-1.2 -1,-0.1 -0.327 50.9 92.0 -96.4 58.4 26.2 27.9 22.7 86 88 A V E S- 0 0 65 -2,-1.2 23,-0.5 23,-0.1 3,-0.1 -0.991 91.8 -87.7-142.7 134.0 24.9 24.8 24.3 87 89 A G E - j 0 109B 32 -2,-0.3 23,-0.2 1,-0.1 2,-0.2 -0.135 58.1-108.2 -44.8 129.6 23.3 21.9 22.3 88 90 A I - 0 0 6 21,-2.5 -1,-0.1 -4,-0.1 23,-0.1 -0.383 18.9-144.0 -75.7 134.0 19.6 22.8 22.0 89 91 A A > - 0 0 39 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.821 21.5-130.5 -85.0 130.0 16.8 21.0 23.9 90 92 A P G > S+ 0 0 71 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.842 104.9 62.3 -52.9 -33.8 13.8 20.8 21.6 91 93 A A G 3 S+ 0 0 72 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.710 96.5 61.4 -69.1 -14.3 11.5 22.2 24.4 92 94 A K G X> S+ 0 0 64 -3,-2.2 4,-1.9 1,-0.2 3,-0.5 0.544 76.6 90.6 -85.0 -7.8 13.5 25.4 24.4 93 95 A L H <> S+ 0 0 5 -3,-1.9 4,-3.0 -4,-0.3 -1,-0.2 0.877 82.0 56.4 -58.1 -36.3 12.6 26.2 20.7 94 96 A K H 3> S+ 0 0 131 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.875 108.0 48.2 -64.2 -32.8 9.5 28.2 21.8 95 97 A R H <> S+ 0 0 72 -3,-0.5 4,-1.6 -4,-0.3 -1,-0.2 0.856 112.4 48.7 -72.7 -35.7 11.7 30.5 24.0 96 98 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 111.2 50.5 -66.4 -45.7 14.2 31.0 21.2 97 99 A A H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.893 105.9 55.8 -58.9 -43.8 11.4 31.8 18.8 98 100 A A H X S+ 0 0 55 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.892 109.6 46.2 -57.3 -41.8 10.0 34.4 21.3 99 101 A L H ><>S+ 0 0 5 -4,-1.6 5,-1.9 2,-0.2 3,-1.2 0.930 110.5 52.1 -65.9 -43.0 13.4 36.2 21.3 100 102 A R H ><5S+ 0 0 38 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.893 105.5 55.8 -65.2 -34.7 13.7 36.1 17.6 101 103 A Q H 3<5S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.665 102.8 57.1 -69.1 -17.0 10.2 37.6 17.3 102 104 A Q T <<5S- 0 0 148 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.422 129.1 -96.8 -89.1 0.4 11.4 40.5 19.5 103 105 A G T < 5S+ 0 0 53 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.644 78.8 139.3 93.2 15.1 14.2 41.3 17.0 104 106 A I < - 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