==== 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 OXIDOREDUCTASE 17-JUL-09 3IC3 . COMPND 2 MOLECULE: PUTATIVE PYRUVATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR M.E.CUFF,C.TESAR,R.JEDRZEJCZAK,J.B.MCKINLAY,C.S.HARWOOD,A.JO . 376 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.2 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 . 4 1.1 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 . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 36.7 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+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 0 0 0 0 2 2 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 0 4 2 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 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 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 N 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.9 50.3 35.8 30.6 2 0 A A + 0 0 94 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.523 360.0 117.8 -90.1 -5.8 48.9 38.4 33.1 3 1 A X - 0 0 119 1,-0.1 4,-0.1 311,-0.0 311,-0.0 -0.379 41.1-172.5 -62.7 136.7 45.5 36.8 33.6 4 2 A T + 0 0 109 2,-0.1 310,-0.2 -2,-0.1 -1,-0.1 0.461 65.2 62.2-106.0 -6.9 44.8 35.7 37.2 5 3 A G S S- 0 0 20 1,-0.2 306,-0.1 309,-0.1 -2,-0.0 -0.375 96.8 -66.4-105.6-174.1 41.6 33.8 36.5 6 4 A P - 0 0 7 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 -0.152 60.6 -87.3 -65.6 168.5 40.5 30.9 34.4 7 5 A K B -a 317 0A 114 309,-2.9 311,-2.7 306,-0.2 2,-0.0 -0.621 62.9-169.5 -79.8 84.6 40.7 30.8 30.6 8 6 A Q - 0 0 96 -2,-1.7 313,-0.1 309,-0.2 20,-0.0 -0.293 21.6-120.5 -77.5 161.0 37.2 32.3 30.1 9 7 A Q - 0 0 40 323,-0.1 2,-0.1 311,-0.1 -1,-0.1 -0.806 29.4-123.7 -93.8 139.2 35.2 32.6 26.9 10 8 A P - 0 0 93 0, 0.0 311,-0.1 0, 0.0 -1,-0.0 -0.452 39.0 -85.2 -72.6 158.1 34.2 36.2 25.9 11 9 A L - 0 0 39 -2,-0.1 5,-0.1 1,-0.1 320,-0.1 -0.358 53.7-101.1 -54.4 137.1 30.5 37.0 25.3 12 10 A P >> - 0 0 9 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.346 31.9-117.8 -57.1 142.1 29.4 36.1 21.8 13 11 A P T 34 S+ 0 0 108 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.843 113.2 56.0 -54.7 -33.2 29.4 39.3 19.7 14 12 A D T 34 S+ 0 0 88 1,-0.2 -3,-0.0 3,-0.0 316,-0.0 0.630 106.7 51.6 -74.4 -12.5 25.6 39.0 19.1 15 13 A V T X4 S+ 0 0 0 -3,-1.8 3,-2.2 2,-0.1 -1,-0.2 0.700 81.6 111.5 -91.2 -25.9 24.9 38.9 22.8 16 14 A E T 3< S+ 0 0 121 -4,-1.1 3,-0.1 -3,-0.4 284,-0.0 -0.270 91.1 4.0 -57.6 131.1 27.0 42.1 23.6 17 15 A G T 3 S+ 0 0 56 1,-0.2 2,-0.9 284,-0.1 -1,-0.3 0.476 94.8 133.1 74.0 3.9 24.7 45.0 24.8 18 16 A R X - 0 0 72 -3,-2.2 3,-1.5 1,-0.2 284,-0.2 -0.769 37.5-171.3 -97.1 103.3 21.6 42.8 24.6 19 17 A E T 3 S+ 0 0 115 -2,-0.9 283,-0.2 280,-0.4 -1,-0.2 0.804 87.9 56.4 -54.6 -31.9 19.4 43.2 27.8 20 18 A D T 3 S+ 0 0 75 279,-0.1 2,-0.3 281,-0.1 -1,-0.3 0.528 82.0 103.9 -85.3 -6.1 17.2 40.3 26.6 21 19 A A < - 0 0 0 -3,-1.5 281,-3.0 -6,-0.2 2,-0.5 -0.616 53.6-166.6 -76.7 129.8 20.1 37.8 26.3 22 20 A I E -bC 302 324A 62 302,-2.1 302,-2.8 -2,-0.3 2,-0.6 -0.979 20.6-126.9-121.2 126.6 20.2 35.3 29.2 23 21 A E E - C 0 323A 0 279,-2.8 300,-0.3 -2,-0.5 3,-0.1 -0.632 23.0-175.8 -73.8 116.6 23.1 33.1 30.0 24 22 A V E - 0 0 0 298,-2.1 15,-2.3 -2,-0.6 2,-0.3 0.868 63.1 -11.7 -77.3 -43.5 21.8 29.5 30.2 25 23 A L E -DC 38 322A 0 297,-1.3 297,-2.6 13,-0.2 2,-0.4 -0.993 43.5-159.8-162.1 150.1 25.1 27.9 31.2 26 24 A R E -DC 37 321A 8 11,-1.9 11,-2.9 -2,-0.3 2,-0.4 -0.992 20.6-167.8-127.7 132.9 28.8 28.2 31.6 27 25 A A E -DC 36 320A 0 293,-2.2 292,-2.5 -2,-0.4 293,-1.2 -0.994 3.7-173.2-128.6 134.5 30.9 25.1 31.8 28 26 A F E -DC 35 318A 0 7,-2.7 7,-2.5 -2,-0.4 2,-0.5 -0.952 21.7-135.4-123.5 142.7 34.6 24.7 32.9 29 27 A V E +DC 34 317A 42 288,-2.8 288,-1.9 -2,-0.4 2,-0.3 -0.888 39.0 159.0 -98.4 126.6 37.0 21.8 32.8 30 28 A L E > -D 33 0A 16 3,-1.8 3,-1.9 -2,-0.5 286,-0.1 -0.991 58.2 -7.3-149.0 129.7 38.9 21.7 36.1 31 29 A D T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.809 127.5 -49.8 50.8 43.2 40.8 18.9 37.9 32 30 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.692 128.3 63.3 73.1 17.3 39.8 16.1 35.5 33 31 A G E < S-D 30 0A 23 -3,-1.9 -3,-1.8 2,-0.0 2,-0.4 -0.745 81.9 -89.4-149.7-163.9 36.1 17.0 35.7 34 32 A L E -D 29 0A 38 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.940 15.7-164.5-126.9 144.4 33.5 19.7 35.0 35 33 A S E -D 28 0A 12 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.4 -0.998 21.9-171.9-124.3 121.4 32.2 22.6 37.0 36 34 A I E -D 27 0A 40 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.926 18.2-156.9-122.8 141.1 28.9 24.0 35.5 37 35 A A E -D 26 0A 13 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.4 -0.982 19.1-170.0-112.5 122.0 26.8 27.2 36.3 38 36 A F E -D 25 0A 51 -2,-0.5 -13,-0.2 -13,-0.2 -14,-0.1 -0.894 21.7-118.1-110.4 145.4 23.1 27.0 35.2 39 37 A X - 0 0 9 -15,-2.3 -15,-0.1 -2,-0.4 265,-0.0 -0.357 25.0-121.4 -65.2 158.0 20.5 29.6 35.1 40 38 A R S S+ 0 0 92 -2,-0.1 -1,-0.1 2,-0.0 -16,-0.0 0.893 84.4 86.6 -68.8 -42.2 17.4 29.2 37.2 41 39 A A - 0 0 50 1,-0.1 -2,-0.1 2,-0.0 316,-0.1 -0.179 53.7-164.8 -69.7 147.6 14.8 29.2 34.4 42 40 A F + 0 0 20 1,-0.2 2,-1.5 315,-0.1 6,-0.2 0.782 15.8 178.9 -91.0 -39.1 13.7 26.2 32.3 43 41 A E - 0 0 82 4,-0.1 -1,-0.2 3,-0.0 3,-0.0 -0.542 58.2 -32.3 64.6 -89.1 12.0 28.0 29.4 44 42 A D >> - 0 0 62 -2,-1.5 4,-1.1 1,-0.1 3,-0.7 -0.989 51.1-112.4-159.3 156.3 11.0 24.9 27.3 45 43 A P H 3> S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.828 111.3 62.9 -64.8 -30.0 12.2 21.4 26.6 46 44 A E H 3> S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 97.7 55.9 -64.3 -35.1 12.9 22.3 22.9 47 45 A X H <> S+ 0 0 14 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.911 108.1 47.8 -62.8 -42.5 15.6 24.8 23.9 48 46 A W H X S+ 0 0 1 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.886 110.8 52.9 -66.0 -36.3 17.5 22.1 25.9 49 47 A G H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 109.6 48.2 -61.7 -44.9 17.2 19.8 22.9 50 48 A L H X S+ 0 0 68 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.916 110.5 51.5 -59.9 -46.0 18.7 22.5 20.7 51 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.1 47.2 -59.4 -46.1 21.5 23.0 23.1 52 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.922 114.0 47.3 -60.9 -47.8 22.3 19.3 23.3 53 51 A V H X S+ 0 0 12 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.936 112.3 49.7 -61.4 -44.7 22.2 18.9 19.5 54 52 A D H X S+ 0 0 52 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.904 113.8 44.8 -61.7 -46.2 24.4 22.0 19.0 55 53 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.926 114.6 48.8 -64.1 -46.2 27.0 20.9 21.5 56 54 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.915 114.7 44.2 -61.7 -44.4 27.1 17.3 20.1 57 55 A R H X S+ 0 0 91 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.930 113.7 50.1 -69.7 -42.9 27.4 18.4 16.5 58 56 A H H X S+ 0 0 44 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.939 112.3 48.5 -57.7 -46.7 30.0 21.0 17.3 59 57 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.881 110.1 51.4 -60.1 -42.5 32.0 18.4 19.3 60 58 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.910 109.2 50.6 -62.8 -43.1 31.7 15.9 16.4 61 59 A R H X S+ 0 0 151 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.932 114.3 43.8 -59.4 -48.3 33.0 18.5 13.9 62 60 A S H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.862 113.0 51.6 -65.8 -38.0 36.0 19.3 16.2 63 61 A Y H < S+ 0 0 31 -4,-2.6 6,-0.3 1,-0.2 -2,-0.2 0.897 108.2 51.6 -64.9 -42.6 36.7 15.6 16.9 64 62 A A H >< S+ 0 0 17 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.842 108.2 53.3 -64.4 -36.1 36.7 14.8 13.2 65 63 A R H 3< S+ 0 0 141 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.956 113.5 41.9 -55.5 -52.0 39.2 17.6 12.6 66 64 A E T 3< S+ 0 0 122 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.094 119.5 36.6 -90.9 21.5 41.5 16.2 15.3 67 65 A S S < S- 0 0 29 -3,-0.9 7,-0.0 2,-0.2 -4,-0.0 -0.922 87.5 -93.3-158.9-179.9 41.2 12.5 14.3 68 66 A E S S+ 0 0 190 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.526 87.8 104.1 -82.8 -8.2 40.9 9.8 11.7 69 67 A Y - 0 0 74 -6,-0.3 -2,-0.2 1,-0.1 2,-0.1 -0.447 69.7-126.4 -75.5 148.7 37.0 9.8 12.0 70 68 A T > - 0 0 74 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.359 38.2-101.7 -72.0 166.5 34.5 11.3 9.6 71 69 A E H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.904 125.5 51.0 -59.1 -39.6 32.0 13.7 11.2 72 70 A D H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 112.6 44.9 -61.6 -47.9 29.4 11.0 11.2 73 71 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.879 112.7 51.9 -63.3 -43.0 31.8 8.5 12.9 74 72 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.918 109.7 49.2 -60.3 -43.1 32.8 11.1 15.4 75 73 A L H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.932 109.7 51.7 -64.7 -43.3 29.2 11.9 16.3 76 74 A E H X S+ 0 0 104 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 110.5 49.0 -55.5 -45.3 28.5 8.2 16.7 77 75 A R H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.910 110.7 49.5 -61.3 -45.9 31.5 7.8 19.1 78 76 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.932 110.7 50.0 -60.2 -44.6 30.4 10.9 21.1 79 77 A V H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.887 109.3 52.6 -61.9 -41.0 26.8 9.5 21.4 80 78 A E H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.921 111.4 45.7 -58.5 -44.2 28.3 6.1 22.5 81 79 A X H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 111.8 52.2 -66.6 -41.4 30.3 7.9 25.2 82 80 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.923 111.2 47.5 -54.4 -49.1 27.2 9.9 26.2 83 81 A E H X S+ 0 0 86 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.904 109.6 51.7 -65.9 -41.3 25.2 6.7 26.6 84 82 A A H < S+ 0 0 70 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.936 115.2 42.9 -59.4 -45.7 27.8 4.9 28.6 85 83 A E H >< S+ 0 0 25 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.895 108.2 58.0 -69.4 -37.4 28.0 7.8 31.0 86 84 A L H 3< S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 98.9 62.6 -60.4 -32.6 24.2 8.3 31.2 87 85 A S T 3< S+ 0 0 98 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.670 77.1 111.5 -65.8 -20.6 24.0 4.7 32.4 88 86 A R S < S- 0 0 146 -3,-1.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.352 77.2-112.9 -59.3 130.3 25.9 5.5 35.6 89 87 A P - 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0 0 129 1,-0.1 113,-0.1 113,-0.1 4,-0.1 -0.365 360.0-166.6 -63.1 144.0 28.8 2.5 58.8 103 2 B T S S+ 0 0 114 2,-0.1 112,-0.2 111,-0.1 -1,-0.1 0.347 71.1 46.3-108.3 -1.2 28.0 1.9 62.5 104 3 B G S S- 0 0 17 1,-0.2 108,-0.1 111,-0.1 -2,-0.0 -0.555 100.5 -55.3-123.3-167.0 25.9 5.1 62.9 105 4 B P - 0 0 2 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 -0.158 59.9 -93.0 -67.3 164.7 23.1 6.9 61.0 106 5 B K B -h 218 0B 115 111,-2.7 113,-2.7 108,-0.2 2,-0.1 -0.661 59.5-169.4 -80.0 90.0 23.3 8.0 57.4 107 6 B Q - 0 0 94 -2,-1.4 115,-0.0 111,-0.2 20,-0.0 -0.340 21.4-120.4 -85.2 158.9 24.7 11.6 58.0 108 7 B Q - 0 0 36 125,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.765 29.8-122.4 -90.8 144.9 25.1 14.5 55.7 109 8 B P - 0 0 92 0, 0.0 113,-0.1 0, 0.0 -1,-0.0 -0.410 39.6 -83.6 -77.7 161.7 28.6 16.0 55.3 110 9 B L - 0 0 37 -2,-0.1 5,-0.1 1,-0.1 122,-0.1 -0.407 52.2-101.6 -58.0 138.2 29.3 19.6 56.0 111 10 B P >> - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.367 33.6-116.8 -56.2 143.3 28.5 22.0 53.2 112 11 B P T 34 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 0.804 113.4 56.1 -58.0 -29.9 31.7 22.9 51.4 113 12 B D T 34 S+ 0 0 65 1,-0.2 -3,-0.0 3,-0.0 -16,-0.0 0.591 104.7 54.2 -80.1 -7.0 31.4 26.6 52.2 114 13 B V T X4 S+ 0 0 0 -3,-1.8 3,-2.2 2,-0.1 -1,-0.2 0.676 79.9 112.8 -93.6 -25.8 31.3 25.7 56.0 115 14 B E T 3< S+ 0 0 123 -4,-1.0 3,-0.1 -3,-0.3 86,-0.0 -0.250 91.3 1.9 -53.7 129.3 34.5 23.6 56.0 116 15 B G T 3 S+ 0 0 57 1,-0.2 2,-0.8 86,-0.1 -1,-0.3 0.572 94.7 132.8 69.2 10.1 37.2 25.3 58.0 117 16 B R X - 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