==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, METAL BINDING PROTEIN 03-NOV-09 3KJE . COMPND 2 MOLECULE: CO DEHYDROGENASE/ACETYL-COA SYNTHASE COMPLEX, . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR J.-H.JEOUNG,H.DOBBEK . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 0 0 1 0 1 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 33 0, 0.0 134,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 102.7 11.6 -29.6 15.2 2 2 A K E +a 135 0A 16 132,-0.2 153,-2.0 151,-0.2 154,-1.2 -0.941 360.0 179.8-116.4 109.5 9.4 -28.0 12.6 3 3 A L E -ab 136 156A 0 132,-4.0 134,-2.7 -2,-0.6 2,-0.4 -0.881 16.4-166.4-117.2 145.0 11.3 -25.8 10.2 4 4 A A E -ab 137 157A 0 152,-2.0 154,-3.3 -2,-0.4 2,-0.6 -0.995 5.7-162.0-127.2 127.4 10.2 -23.7 7.2 5 5 A V E -ab 138 158A 0 132,-2.8 134,-2.6 -2,-0.4 2,-0.4 -0.936 15.4-179.7-113.8 110.3 12.8 -22.3 4.8 6 6 A A E +ab 139 159A 0 152,-2.5 154,-2.7 -2,-0.6 2,-0.3 -0.911 15.5 128.1-115.7 138.1 11.4 -19.4 2.6 7 7 A G E - b 0 160A 1 132,-1.4 2,-0.6 -2,-0.4 134,-0.3 -0.963 52.3-120.2-175.5 160.7 13.2 -17.4 -0.0 8 8 A K S S+ 0 0 167 152,-0.5 132,-0.1 -2,-0.3 162,-0.1 -0.722 81.1 89.3-113.6 78.6 13.1 -16.2 -3.6 9 9 A G S >> S- 0 0 41 -2,-0.6 4,-0.9 1,-0.2 3,-0.7 0.193 72.0-140.1-157.9 22.6 16.1 -17.7 -5.3 10 10 A G H >> S- 0 0 18 1,-0.2 4,-2.5 -3,-0.2 3,-0.5 -0.102 77.8 -6.1 49.5-142.2 15.2 -21.1 -6.7 11 11 A V H 3> S+ 0 0 78 28,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.883 131.9 61.9 -49.1 -48.3 17.8 -23.8 -6.3 12 12 A G H <4 S+ 0 0 16 -3,-0.7 4,-0.4 1,-0.2 3,-0.3 0.912 112.0 36.8 -46.0 -52.1 20.4 -21.5 -4.8 13 13 A K H XX S+ 0 0 7 -4,-0.9 3,-1.8 -3,-0.5 4,-0.8 0.893 112.2 58.5 -69.2 -41.6 18.1 -20.7 -1.9 14 14 A T H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.748 91.1 73.0 -60.4 -23.2 16.8 -24.2 -1.6 15 15 A T H 3X S+ 0 0 36 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.3 0.810 92.1 56.7 -61.4 -29.3 20.4 -25.3 -1.2 16 16 A V H <> S+ 0 0 4 -3,-1.8 4,-2.5 -4,-0.4 -1,-0.2 0.960 109.0 43.3 -66.2 -52.0 20.2 -23.8 2.3 17 17 A A H X S+ 0 0 0 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.930 114.6 51.6 -58.5 -46.2 17.2 -26.0 3.3 18 18 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.918 110.1 49.3 -57.1 -45.5 19.0 -29.0 1.7 19 19 A G H X S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 110.3 49.4 -61.9 -43.0 22.1 -28.3 3.7 20 20 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.872 109.9 52.4 -64.3 -37.9 20.2 -28.0 6.9 21 21 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.928 107.8 50.3 -64.0 -46.6 18.4 -31.3 6.2 22 22 A K H < S+ 0 0 58 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.885 114.3 45.0 -59.7 -40.3 21.7 -33.2 5.6 23 23 A I H >< S+ 0 0 16 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.898 112.2 50.8 -71.0 -41.1 23.1 -31.9 8.8 24 24 A M H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 3,-1.7 0.744 93.6 75.6 -67.6 -24.3 20.0 -32.6 10.8 25 25 A A T 3< S+ 0 0 11 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.712 90.9 56.5 -61.1 -20.7 20.0 -36.1 9.4 26 26 A S T <4 S+ 0 0 98 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.600 115.1 35.8 -86.9 -12.7 22.8 -36.9 11.8 27 27 A D T <4 S+ 0 0 94 -3,-1.7 2,-0.4 -4,-0.2 -2,-0.2 0.696 110.2 62.7-110.0 -29.3 20.8 -35.8 14.9 28 28 A Y < - 0 0 42 -4,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.799 67.5-142.2-105.2 144.1 17.2 -36.9 14.0 29 29 A D S S+ 0 0 123 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.662 90.7 10.1 -72.8 -17.3 16.0 -40.5 13.5 30 30 A K - 0 0 20 2,-0.0 104,-1.1 68,-0.0 2,-0.4 -0.905 64.2-167.7-165.4 134.0 13.7 -39.2 10.7 31 31 A I E -cd 97 134A 0 65,-2.6 67,-3.1 -2,-0.3 2,-0.9 -0.988 17.0-142.5-130.7 131.0 13.2 -36.0 8.7 32 32 A Y E -cd 98 135A 0 102,-2.7 104,-2.5 -2,-0.4 2,-0.8 -0.802 16.8-162.9 -91.8 104.7 10.4 -35.0 6.5 33 33 A A E -cd 99 136A 0 65,-2.5 67,-2.5 -2,-0.9 2,-0.6 -0.811 10.8-166.1 -89.0 110.1 11.9 -33.0 3.6 34 34 A V E -cd 100 137A 0 102,-2.3 104,-2.7 -2,-0.8 2,-1.2 -0.885 13.2-154.6-107.1 116.2 9.0 -31.2 2.0 35 35 A D E +cd 101 138A 10 65,-2.4 67,-2.1 -2,-0.6 68,-0.6 -0.715 32.8 151.5 -88.2 93.3 9.5 -29.6 -1.4 36 36 A G E + d 0 139A 2 102,-2.2 104,-0.6 -2,-1.2 -1,-0.2 0.175 40.0 102.0-107.9 16.1 7.0 -26.8 -1.4 37 37 A D > - 0 0 7 102,-0.3 3,-1.1 1,-0.1 5,-0.2 -0.888 50.7-168.4-104.8 109.2 8.9 -24.5 -3.8 38 38 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 66,-0.1 0.786 87.2 55.8 -65.0 -29.1 7.4 -24.6 -7.3 39 39 A D T 3 S+ 0 0 126 -29,-0.1 -28,-0.3 2,-0.0 2,-0.3 -0.076 113.5 38.4 -95.9 33.9 10.4 -22.8 -8.8 40 40 A S S < S- 0 0 21 -3,-1.1 2,-0.3 -30,-0.2 3,-0.1 -0.950 71.3-124.4-163.9 178.7 13.0 -25.3 -7.4 41 41 A C > - 0 0 17 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.742 14.9-178.5-143.0 91.2 13.7 -28.9 -6.7 42 42 A L H > S+ 0 0 1 -2,-0.3 4,-1.0 1,-0.2 6,-0.2 0.855 84.6 62.6 -55.9 -35.8 14.6 -29.9 -3.1 43 43 A G H 4>S+ 0 0 0 2,-0.2 5,-2.1 1,-0.2 3,-0.4 0.927 107.1 38.9 -57.0 -51.4 15.0 -33.5 -4.3 44 44 A Q H >45S+ 0 0 77 -3,-0.3 3,-2.4 1,-0.2 -1,-0.2 0.913 113.1 54.8 -67.5 -43.6 17.9 -32.8 -6.7 45 45 A T H 3<5S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 105.4 57.5 -62.6 -17.1 19.6 -30.3 -4.4 46 46 A L T 3<5S- 0 0 10 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.397 132.5 -90.4 -93.7 1.0 19.4 -33.1 -1.9 47 47 A G T < 5S+ 0 0 46 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.171 82.0 134.6 113.5 -19.1 21.4 -35.4 -4.1 48 48 A L < - 0 0 22 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.1 -0.375 53.1-123.5 -67.6 141.2 18.6 -37.2 -6.1 49 49 A S > - 0 0 45 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.401 31.6 -99.6 -79.1 161.1 19.1 -37.5 -9.9 50 50 A I H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 124.6 44.5 -47.2 -46.3 16.5 -36.1 -12.3 51 51 A E H > S+ 0 0 155 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 111.0 51.5 -68.4 -43.5 15.0 -39.6 -12.7 52 52 A E H 4 S+ 0 0 97 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.881 112.4 48.8 -61.3 -37.6 15.0 -40.6 -9.0 53 53 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.947 111.1 46.5 -67.4 -51.5 13.2 -37.3 -8.2 54 54 A Y H 3< S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 99.1 70.3 -64.3 -24.0 10.5 -37.6 -10.9 55 55 A A T 3< S+ 0 0 73 -4,-1.7 2,-1.1 1,-0.2 -1,-0.3 0.691 85.4 79.5 -65.7 -16.2 9.9 -41.2 -9.8 56 56 A I S < S- 0 0 9 -3,-1.8 -1,-0.2 -4,-0.3 35,-0.1 -0.781 86.1-142.5 -95.9 93.6 8.5 -39.5 -6.7 57 57 A T - 0 0 73 -2,-1.1 44,-0.3 1,-0.1 2,-0.1 -0.336 17.2-125.5 -58.5 125.8 5.0 -38.5 -7.7 58 58 A P > - 0 0 18 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.396 20.6-110.4 -74.1 152.4 4.1 -35.1 -6.2 59 59 A L G > S+ 0 0 0 42,-2.7 3,-2.1 1,-0.3 44,-0.2 0.867 116.7 60.8 -46.4 -46.6 0.9 -34.7 -4.2 60 60 A I G 3 S+ 0 0 9 42,-2.2 -1,-0.3 1,-0.3 43,-0.1 0.684 105.1 50.2 -58.3 -18.8 -0.8 -32.6 -6.9 61 61 A E G < S+ 0 0 99 -3,-2.3 2,-1.8 41,-0.2 -1,-0.3 0.399 78.4 101.5-101.6 1.1 -0.4 -35.5 -9.3 62 62 A M <> + 0 0 36 -3,-2.1 4,-2.9 -4,-0.4 5,-0.2 -0.465 43.2 163.9 -86.5 67.5 -2.0 -38.2 -7.1 63 63 A K H > S+ 0 0 105 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.912 72.3 45.4 -49.3 -57.1 -5.3 -38.2 -8.9 64 64 A D H > S+ 0 0 117 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 115.3 48.2 -58.4 -39.1 -6.6 -41.4 -7.5 65 65 A E H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 110.7 51.2 -69.2 -39.6 -5.5 -40.5 -3.9 66 66 A I H X S+ 0 0 7 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.912 109.8 50.1 -62.9 -43.6 -7.1 -37.1 -4.3 67 67 A R H X S+ 0 0 115 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.915 114.3 44.3 -61.2 -44.8 -10.4 -38.6 -5.4 68 68 A E H < S+ 0 0 134 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.843 119.6 40.9 -70.1 -35.5 -10.4 -41.0 -2.4 69 69 A K H < S+ 0 0 33 -4,-2.4 12,-0.2 -5,-0.1 -2,-0.2 0.803 128.0 27.7 -85.0 -32.0 -9.3 -38.5 0.2 70 70 A T H < S- 0 0 0 -4,-2.7 7,-2.7 1,-0.3 2,-0.2 0.555 105.9-128.8-105.9 -12.0 -11.5 -35.5 -0.9 71 71 A G < - 0 0 16 -4,-1.5 -1,-0.3 -5,-0.4 2,-0.3 -0.559 18.7-131.0 98.4-164.5 -14.3 -37.4 -2.5 72 72 A D > + 0 0 101 3,-0.3 3,-0.8 -2,-0.2 -5,-0.0 -0.962 67.4 73.7-174.8 176.8 -15.9 -37.0 -6.0 73 73 A G T 3 S- 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.862 125.3 -52.8 69.8 35.7 -19.2 -36.7 -7.8 74 74 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.442 114.7 114.3 80.5 -0.8 -19.8 -33.1 -6.6 75 75 A L < - 0 0 129 -3,-0.8 2,-0.5 2,-0.0 -3,-0.3 -0.914 49.6-159.3-110.4 125.0 -19.3 -33.9 -3.0 76 76 A L - 0 0 74 -2,-0.5 2,-0.9 -5,-0.1 -5,-0.2 -0.873 16.0-135.4-106.1 129.6 -16.3 -32.6 -1.1 77 77 A I - 0 0 75 -7,-2.7 -6,-0.0 -2,-0.5 -2,-0.0 -0.719 17.0-159.5 -82.1 105.9 -15.0 -34.1 2.1 78 78 A L S S+ 0 0 143 -2,-0.9 -1,-0.2 1,-0.2 -8,-0.0 0.882 81.2 36.0 -53.6 -47.9 -14.4 -31.1 4.4 79 79 A N S S- 0 0 120 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.777 80.4-162.5-115.0 88.1 -11.9 -32.8 6.8 80 80 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -10,-0.1 -0.410 10.2-141.9 -69.1 140.5 -9.7 -35.2 4.9 81 81 A K + 0 0 138 -12,-0.2 42,-0.1 1,-0.1 41,-0.0 -0.914 47.9 131.4-107.6 112.1 -7.8 -37.8 6.9 82 82 A V >> + 0 0 3 -2,-0.7 3,-2.1 40,-0.2 4,-0.7 0.438 35.3 104.1-135.8 -8.9 -4.3 -38.4 5.6 83 83 A D G >4 S+ 0 0 74 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.831 87.4 47.6 -46.6 -40.2 -2.0 -38.3 8.6 84 84 A G G 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.618 111.8 50.4 -80.3 -11.6 -1.6 -42.0 8.6 85 85 A D G X4 S+ 0 0 44 -3,-2.1 3,-2.1 1,-0.1 4,-0.3 0.372 76.4 102.3-106.3 3.3 -0.9 -42.3 4.9 86 86 A L G X< S+ 0 0 0 -4,-0.7 3,-2.6 -3,-0.6 -1,-0.1 0.891 73.8 62.3 -53.0 -45.2 1.8 -39.6 4.7 87 87 A D G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -4,-0.3 3,-0.2 0.505 101.1 56.0 -62.3 -1.3 4.6 -42.3 4.5 88 88 A K G < S+ 0 0 117 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.469 90.7 73.0-106.5 -6.9 3.0 -43.4 1.3 89 89 A Y S < S+ 0 0 2 -3,-2.6 12,-0.4 -4,-0.3 2,-0.3 -0.045 108.5 1.6 -98.2 31.6 3.2 -40.0 -0.4 90 90 A G S S- 0 0 16 -3,-0.2 2,-0.3 10,-0.1 10,-0.2 -0.963 74.5 -91.7 179.2-163.6 6.9 -40.1 -1.0 91 91 A R E -E 99 0A 153 8,-1.5 8,-2.4 -2,-0.3 2,-0.8 -0.963 29.2-111.0-139.9 156.1 10.2 -42.0 -0.7 92 92 A Y E -E 98 0A 106 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.785 20.3-164.1 -86.4 110.3 13.1 -42.4 1.7 93 93 A I S S- 0 0 40 4,-1.7 2,-0.2 -2,-0.8 -1,-0.2 0.868 76.8 -26.1 -61.5 -32.7 16.1 -40.7 -0.0 94 94 A D S S- 0 0 50 3,-1.3 -1,-0.1 -3,-0.1 0, 0.0 -0.803 94.1 -58.4-157.0-163.4 18.1 -42.6 2.6 95 95 A D S S+ 0 0 134 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.505 131.7 23.2 -71.4 -3.1 17.8 -44.1 6.1 96 96 A K S S+ 0 0 56 1,-0.2 -65,-2.6 -66,-0.1 2,-0.4 0.665 106.5 72.4-128.2 -42.3 16.9 -40.8 7.6 97 97 A I E -c 31 0A 0 -67,-0.2 -4,-1.7 -65,-0.1 -3,-1.3 -0.708 51.8-170.2 -90.5 127.7 15.4 -38.4 5.0 98 98 A F E -cE 32 92A 3 -67,-3.1 -65,-2.5 -2,-0.4 2,-0.4 -0.959 13.9-151.9-117.6 114.3 11.9 -38.8 3.6 99 99 A L E -cE 33 91A 0 -8,-2.4 -8,-1.5 -2,-0.6 2,-0.4 -0.702 14.1-177.7 -92.9 136.0 11.1 -36.6 0.7 100 100 A I E -c 34 0A 0 -67,-2.5 -65,-2.4 -2,-0.4 2,-0.5 -0.992 13.7-151.9-131.5 121.3 7.6 -35.4 -0.2 101 101 A R E -c 35 0A 40 -2,-0.4 -42,-2.7 -12,-0.4 -41,-0.2 -0.846 5.7-166.9 -98.8 124.4 7.0 -33.3 -3.3 102 102 A M - 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