==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUL-10 2XLQ . COMPND 2 MOLECULE: CLOQ; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ROSEOCHROMOGENES SUBSP. O . AUTHOR U.METZGER,S.KELLER,C.E.M.STEVENSON,L.HEIDE,D.M.LAWSON . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 2 2 0 1 2 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 2 2 4 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 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 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 G > 0 0 92 0, 0.0 3,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 59.6 -13.8 14.6 2 -1 A S T 3 + 0 0 130 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.642 360.0 7.7 -60.6 -26.9 58.2 -17.0 13.2 3 0 A H T 3 S+ 0 0 193 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.037 87.3 154.3-128.9 28.2 60.8 -17.4 10.4 4 1 A M < - 0 0 126 -3,-2.2 0, 0.0 1,-0.1 0, 0.0 -0.254 51.4-106.7 -52.4 131.1 63.3 -14.6 11.4 5 2 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.305 29.4-114.0 -69.3 147.7 66.7 -15.6 10.1 6 3 A A - 0 0 96 -3,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.649 33.1-109.9 -78.3 137.9 69.4 -16.7 12.5 7 4 A L - 0 0 79 -2,-0.3 -1,-0.1 1,-0.1 7,-0.0 -0.522 46.4-106.7 -64.5 130.2 72.3 -14.4 12.9 8 5 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.058 21.8-159.1 -64.7 162.6 75.3 -16.1 11.3 9 6 A I + 0 0 161 -3,-0.1 -2,-0.0 253,-0.0 0, 0.0 0.356 60.8 102.9-118.3 -0.4 78.2 -17.7 13.2 10 7 A D S S- 0 0 84 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.042 82.2-104.5 -80.0-175.0 80.6 -17.7 10.3 11 8 A Q S S+ 0 0 110 2,-0.1 278,-0.5 277,-0.0 251,-0.1 0.559 81.2 102.7 -93.0 -14.2 83.5 -15.4 9.7 12 9 A E S S- 0 0 140 1,-0.1 2,-0.2 276,-0.1 38,-0.1 -0.411 82.7 -95.4 -81.1 146.1 82.2 -13.1 6.9 13 10 A F - 0 0 23 37,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.409 41.8-175.8 -61.0 130.4 81.0 -9.6 7.7 14 11 A D > - 0 0 47 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.978 16.4-155.5-130.4 122.3 77.2 -9.5 8.2 15 12 A C H > S+ 0 0 5 -2,-0.4 4,-2.2 2,-0.2 5,-0.2 0.876 92.4 51.0 -65.4 -43.8 75.7 -6.1 8.7 16 13 A E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 113.1 48.2 -62.0 -39.0 72.5 -7.1 10.6 17 14 A R H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 108.1 55.4 -68.3 -35.8 74.7 -9.2 13.0 18 15 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.933 104.8 52.5 -59.4 -47.7 77.1 -6.2 13.4 19 16 A R H X S+ 0 0 83 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.904 112.3 45.5 -56.5 -43.3 74.2 -4.0 14.5 20 17 A A H X S+ 0 0 32 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.893 113.3 49.7 -67.1 -41.4 73.2 -6.5 17.2 21 18 A D H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.790 107.7 53.2 -72.3 -33.7 76.9 -7.0 18.3 22 19 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.934 114.1 43.9 -62.0 -47.7 77.4 -3.2 18.7 23 20 A R H X S+ 0 0 140 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.947 116.2 46.4 -62.2 -47.0 74.4 -3.1 20.9 24 21 A A H X S+ 0 0 56 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.926 114.6 45.7 -64.3 -43.6 75.3 -6.2 22.8 25 22 A T H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 6,-0.2 0.905 110.2 52.6 -69.6 -44.8 78.9 -5.2 23.4 26 23 A A H X>S+ 0 0 1 -4,-2.2 5,-2.6 -5,-0.2 4,-0.7 0.971 114.0 45.7 -51.4 -52.5 78.1 -1.6 24.4 27 24 A A H ><5S+ 0 0 78 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.908 109.7 54.3 -56.9 -45.6 75.6 -3.1 27.0 28 25 A A H 3<5S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.9 37.3 -58.8 -42.4 78.2 -5.7 28.2 29 26 A I H 3<5S- 0 0 13 -4,-2.4 34,-0.3 -3,-0.2 -1,-0.2 0.345 113.9-109.9 -95.8 5.1 80.9 -3.0 29.0 30 27 A G T <<5 + 0 0 54 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.870 67.4 147.0 76.4 36.9 78.5 -0.3 30.3 31 28 A A < - 0 0 13 -5,-2.6 -1,-0.2 -6,-0.2 34,-0.1 -0.696 50.1 -99.3-106.7 157.9 79.0 2.0 27.3 32 29 A P - 0 0 61 0, 0.0 34,-0.4 0, 0.0 2,-0.4 -0.324 31.7-151.1 -72.2 155.3 76.4 4.4 25.8 33 30 A I - 0 0 65 85,-0.2 2,-0.4 32,-0.1 85,-0.3 -0.989 13.6-168.0-133.6 140.6 74.4 3.6 22.7 34 31 A A > - 0 0 23 83,-2.3 4,-2.2 -2,-0.4 5,-0.2 -0.930 10.2-171.7-124.0 99.9 72.9 5.9 20.0 35 32 A H H > S+ 0 0 104 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.937 81.0 42.6 -66.3 -50.0 70.6 3.7 17.9 36 33 A R H > S+ 0 0 213 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 115.0 49.4 -66.7 -40.4 69.8 6.1 15.1 37 34 A L H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 109.7 52.5 -65.3 -39.1 73.3 7.4 14.7 38 35 A T H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.910 107.2 51.5 -66.0 -42.9 74.6 3.9 14.6 39 36 A D H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.854 109.1 51.9 -59.4 -36.1 72.2 3.0 11.9 40 37 A T H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.909 110.1 47.3 -68.8 -41.8 73.3 6.0 9.9 41 38 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.966 112.5 49.6 -61.8 -50.6 77.0 5.0 10.2 42 39 A L H X S+ 0 0 1 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.903 113.0 46.9 -57.9 -42.2 76.2 1.4 9.2 43 40 A E H >< S+ 0 0 167 -4,-2.2 3,-0.5 -5,-0.2 4,-0.3 0.942 115.2 45.1 -63.9 -45.0 74.2 2.5 6.1 44 41 A A H 3< S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 126.7 28.0 -68.3 -38.5 76.8 5.1 4.9 45 42 A F H 3X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.125 78.7 121.4-115.5 18.5 79.8 2.8 5.4 46 43 A R H S+ 0 0 92 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.885 109.7 54.2 -59.5 -38.2 80.7 -1.5 2.0 48 45 A N H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 25,-0.3 0.938 111.7 43.7 -62.6 -46.7 83.7 -0.2 3.8 49 46 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.5 51.8 -60.1 -44.9 83.0 -2.5 6.8 50 47 A A H < S+ 0 0 49 -4,-2.5 -37,-0.3 -5,-0.3 -2,-0.2 0.874 119.1 33.8 -58.4 -42.6 82.3 -5.4 4.4 51 48 A Q H < S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.662 117.4 52.6 -96.7 -21.1 85.5 -5.1 2.5 52 49 A G S < S- 0 0 0 -4,-2.0 2,-0.6 -5,-0.3 20,-0.2 -0.122 101.6 -76.8 -96.6-164.0 87.9 -4.0 5.2 53 50 A A E -A 71 0A 0 18,-2.3 18,-2.7 237,-0.1 2,-0.4 -0.927 45.0-158.4 -94.7 118.8 88.8 -5.3 8.6 54 51 A T E +AB 70 288A 0 234,-2.2 234,-2.0 -2,-0.6 233,-1.5 -0.821 25.7 158.2 -94.4 137.6 86.0 -4.4 11.0 55 52 A L E -AB 69 286A 0 14,-1.9 14,-2.6 -2,-0.4 2,-0.2 -0.970 33.3-111.3-157.0 168.6 87.1 -4.4 14.6 56 53 A W E +AB 68 285A 0 229,-3.0 229,-2.5 -2,-0.3 2,-0.3 -0.691 24.3 178.9-107.4 154.6 86.4 -3.1 18.1 57 54 A K E +AB 67 284A 22 10,-2.0 10,-2.9 227,-0.2 2,-0.3 -0.987 9.4 151.0-147.4 153.2 88.2 -0.7 20.5 58 55 A T E - B 0 283A 4 225,-1.8 225,-2.4 -2,-0.3 2,-0.2 -0.928 28.9-127.7-158.2 179.9 87.7 0.8 24.0 59 56 A T E - B 0 282A 10 6,-0.3 223,-0.2 -2,-0.3 5,-0.2 -0.774 29.7-107.3-125.4 174.3 89.8 2.1 26.8 60 57 A S S S+ 0 0 26 221,-1.6 191,-0.1 -2,-0.2 222,-0.1 0.495 79.5 120.2 -82.0 -1.4 90.0 1.4 30.6 61 58 A Q S > S- 0 0 78 220,-0.2 3,-2.2 1,-0.1 -2,-0.3 -0.482 80.5 -99.5 -61.3 128.0 88.4 4.7 31.3 62 59 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.272 102.8 1.4 -55.5 126.5 85.1 4.0 33.2 63 60 A G T 3 S+ 0 0 38 -34,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.478 91.8 164.0 76.8 3.9 82.1 4.1 30.9 64 61 A D < - 0 0 34 -3,-2.2 -1,-0.2 -5,-0.2 -35,-0.0 -0.108 44.7 -84.0 -60.0 154.3 84.3 4.9 27.9 65 62 A Q - 0 0 14 -34,-0.1 2,-0.7 1,-0.1 -6,-0.3 -0.091 29.4-127.5 -52.0 147.7 82.7 4.5 24.5 66 63 A L - 0 0 0 -34,-0.4 51,-2.8 -8,-0.1 2,-0.3 -0.935 37.6-162.0 -91.1 119.0 82.6 1.2 22.7 67 64 A S E -AC 57 116A 9 -10,-2.9 -10,-2.0 -2,-0.7 2,-0.3 -0.726 13.4-163.5-103.1 155.8 84.2 2.1 19.4 68 65 A Y E -AC 56 115A 0 47,-2.5 47,-2.8 -2,-0.3 2,-0.3 -0.989 12.7-173.7-137.7 147.1 84.0 0.2 16.1 69 66 A R E -AC 55 114A 4 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.5 -0.971 22.5-143.6-142.7 144.8 86.3 0.8 13.2 70 67 A F E -AC 54 113A 0 43,-2.2 43,-1.8 -2,-0.3 2,-0.6 -0.984 11.4-155.9-108.2 126.5 86.9 -0.2 9.6 71 68 A F E -A 53 0A 3 -18,-2.7 -18,-2.3 -2,-0.5 2,-0.1 -0.925 39.1-115.3 -91.9 121.6 90.5 -0.5 8.4 72 69 A S + 0 0 10 -2,-0.6 3,-0.1 -20,-0.2 -20,-0.1 -0.356 54.5 155.3 -78.4 135.1 90.1 0.0 4.7 73 70 A R S S+ 0 0 102 -25,-0.3 2,-0.6 -2,-0.1 -1,-0.2 0.496 77.0 72.6-103.4 -29.1 90.7 -2.1 1.6 74 71 A L S S- 0 0 56 -26,-0.2 2,-0.7 -27,-0.1 -1,-0.1 -0.790 79.6-149.7 -86.5 117.7 88.2 0.0 -0.3 75 72 A K + 0 0 114 -2,-0.6 2,-0.3 -3,-0.1 37,-0.1 -0.812 40.1 122.3 -95.8 118.7 89.9 3.4 -1.1 76 73 A M S S- 0 0 50 -2,-0.7 2,-1.4 35,-0.2 35,-0.4 -0.923 72.8 -74.2-159.8 174.9 87.5 6.3 -1.3 77 74 A D > + 0 0 85 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.676 47.5 173.8 -81.6 88.9 86.9 9.7 0.2 78 75 A T H > S+ 0 0 0 -2,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.800 75.4 58.1 -68.0 -25.9 85.4 8.6 3.6 79 76 A V H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 106.0 46.2 -70.5 -49.1 85.3 12.1 4.8 80 77 A S H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 113.9 50.8 -55.3 -41.1 83.2 13.4 2.0 81 78 A R H X S+ 0 0 91 -4,-1.6 4,-1.9 2,-0.2 6,-0.2 0.919 107.2 52.7 -64.5 -42.9 80.9 10.4 2.5 82 79 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 6,-0.5 0.935 112.2 46.0 -58.0 -42.5 80.7 11.1 6.3 83 80 A I H ><5S+ 0 0 48 -4,-2.3 3,-1.7 1,-0.2 5,-0.2 0.946 108.9 54.5 -68.6 -46.9 79.6 14.7 5.4 84 81 A D H 3<5S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.8 50.9 -48.7 -39.8 77.0 13.6 2.8 85 82 A A T 3<5S- 0 0 37 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.472 118.4-108.7 -87.1 -4.7 75.4 11.3 5.4 86 83 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.621 87.0 117.5 89.7 15.6 75.0 14.0 8.0 87 84 A L S - 0 0 117 -2,-0.3 3,-1.6 1,-0.2 -6,-0.1 -0.340 21.8-143.7 -55.1 126.8 80.1 19.3 10.1 90 87 A A T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.0 0.671 103.9 51.2 -64.1 -17.9 80.8 20.5 6.6 91 88 A A T 3 S+ 0 0 89 4,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.085 76.5 147.0-105.9 21.9 82.6 23.4 8.4 92 89 A H X - 0 0 23 -3,-1.6 3,-1.3 1,-0.2 4,-0.3 -0.318 49.2-137.5 -62.7 136.0 84.8 21.4 10.6 93 90 A P T 3 S+ 0 0 89 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.720 98.7 60.0 -71.2 -17.6 88.0 23.2 11.2 94 91 A T T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.1 3,-0.2 0.513 78.5 90.6 -83.9 -4.9 90.1 20.0 10.8 95 92 A L H <> S+ 0 0 38 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.864 82.5 55.5 -57.9 -36.3 88.9 19.3 7.3 96 93 A A H > S+ 0 0 61 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.891 108.6 45.2 -68.6 -43.5 91.8 21.3 5.8 97 94 A V H > S+ 0 0 6 -4,-0.3 4,-2.9 -3,-0.2 5,-0.2 0.903 113.2 50.8 -67.2 -39.6 94.5 19.3 7.5 98 95 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.873 111.3 48.0 -65.6 -37.1 92.8 16.0 6.6 99 96 A D H X S+ 0 0 107 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.961 113.0 48.6 -69.2 -47.3 92.5 17.1 2.9 100 97 A A H >X S+ 0 0 27 -4,-2.4 4,-0.9 1,-0.2 3,-0.6 0.958 114.3 45.4 -51.9 -58.5 96.3 18.2 2.9 101 98 A W H >< S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.890 113.9 49.7 -52.7 -42.3 97.4 14.9 4.5 102 99 A S H 3< S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.767 107.1 55.2 -70.7 -25.8 95.2 12.9 2.1 103 100 A S H 4 S- 0 0 69 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.882 138.3 -58.9 52.6 42.5 102.2 11.5 -2.5 106 103 A G H 34 S- 0 0 84 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.806 103.1 -51.2 56.4 34.0 99.7 12.1 -5.3 107 104 A G H << S+ 0 0 23 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.625 95.4 136.7 83.3 14.5 96.8 10.8 -3.2 108 105 A A << + 0 0 43 -3,-1.0 -3,-0.1 -4,-0.8 -5,-0.1 0.788 40.7 99.9 -64.3 -28.8 98.4 7.4 -2.1 109 106 A P - 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