==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 22-JAN-12 4DF1 . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS NEUTROPHILUS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,B.DESAI,J.A.GERLT,S.C.ALMO . 398 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 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 . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 4 2 3 0 0 0 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 8 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 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 0 2 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 4 A N 0 0 130 0, 0.0 25,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 155.4 -5.9 -3.1 41.2 2 5 A L E -a 26 0A 29 23,-2.8 2,-2.7 1,-0.1 25,-0.8 -0.407 360.0-111.8 -78.1 149.5 -2.9 -1.0 42.3 3 6 A P E S+ 0 0 3 0, 0.0 169,-2.0 0, 0.0 2,-0.4 -0.280 80.6 119.3 -77.0 58.2 -1.4 1.7 40.0 4 7 A L E - b 0 172A 0 -2,-2.7 23,-1.9 167,-0.2 24,-1.1 -0.978 50.7-162.3-130.4 129.5 1.7 -0.4 39.6 5 8 A V E -ab 28 173A 0 167,-3.2 169,-2.5 -2,-0.4 2,-0.6 -0.979 25.0-141.4-107.9 121.6 3.3 -1.9 36.6 6 9 A V E -ab 29 174A 0 22,-2.4 24,-2.6 -2,-0.5 2,-0.7 -0.745 5.6-140.8 -92.0 120.6 5.7 -4.7 37.7 7 10 A A E -a 30 0A 2 167,-2.2 2,-1.4 -2,-0.6 172,-0.2 -0.686 7.7-157.7 -83.3 114.3 9.0 -5.0 35.8 8 11 A L + 0 0 0 22,-2.7 2,-2.0 -2,-0.7 24,-0.4 -0.472 28.8 158.1 -93.2 63.5 9.8 -8.6 35.3 9 12 A D + 0 0 32 -2,-1.4 2,-0.3 22,-0.1 -1,-0.1 -0.565 50.6 81.1 -85.2 73.9 13.6 -8.2 34.8 10 13 A T S S- 0 0 16 -2,-2.0 22,-0.1 22,-0.1 2,-0.1 -0.872 86.8 -50.1-161.6-177.4 14.2 -11.8 35.8 11 14 A E > - 0 0 107 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.374 53.2-110.9 -73.5 154.1 14.2 -15.4 34.8 12 15 A V H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 115.5 46.5 -52.7 -50.6 11.2 -17.0 33.1 13 16 A L H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 114.6 48.0 -66.5 -36.9 10.1 -19.2 36.0 14 17 A K H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 111.4 51.2 -65.0 -43.6 10.5 -16.4 38.5 15 18 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.910 110.9 47.6 -61.2 -43.9 8.5 -14.1 36.2 16 19 A I H X S+ 0 0 29 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.921 110.9 52.1 -63.7 -42.7 5.7 -16.6 35.9 17 20 A D H X S+ 0 0 92 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.928 114.6 41.4 -56.7 -47.5 5.6 -17.1 39.7 18 21 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 113.8 52.2 -69.6 -42.4 5.4 -13.4 40.3 19 22 A A H X S+ 0 0 0 -4,-2.8 4,-0.8 -5,-0.2 -2,-0.2 0.927 111.6 46.8 -62.5 -44.1 2.9 -12.8 37.5 20 23 A K H >< S+ 0 0 123 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.932 113.1 49.4 -60.9 -45.9 0.6 -15.5 38.8 21 24 A R H 3< S+ 0 0 139 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.828 118.3 39.1 -63.2 -32.6 0.9 -14.2 42.4 22 25 A L H >X S+ 0 0 4 -4,-2.2 3,-2.5 -5,-0.1 4,-1.1 0.391 80.1 134.5-102.2 1.6 0.1 -10.7 41.3 23 26 A K T << S+ 0 0 125 -4,-0.8 28,-0.1 -3,-0.7 4,-0.1 -0.303 82.8 6.3 -54.8 128.7 -2.6 -11.4 38.7 24 27 A G T 34 S+ 0 0 66 26,-0.5 -1,-0.3 2,-0.3 -2,-0.1 0.289 116.9 82.0 83.1 -10.0 -5.5 -9.1 39.2 25 28 A A T <4 S+ 0 0 30 -3,-2.5 -23,-2.8 -24,-0.1 2,-0.2 0.670 89.6 42.0-102.0 -21.6 -3.7 -7.1 41.9 26 29 A V E < S-a 2 0A 11 -4,-1.1 -2,-0.3 -25,-0.3 -21,-0.1 -0.761 81.9-113.4-124.1 170.9 -1.6 -4.8 39.7 27 30 A A E S- 0 0 5 -23,-1.9 25,-0.4 -25,-0.8 2,-0.3 0.763 80.9 -55.8 -77.5 -25.9 -2.1 -2.7 36.5 28 31 A G E -a 5 0A 3 -24,-1.1 -22,-2.4 23,-0.1 2,-0.3 -0.986 50.3 -90.1 171.2-174.4 0.2 -4.8 34.4 29 32 A F E -ac 6 53A 1 23,-2.9 25,-2.9 -2,-0.3 2,-0.6 -0.953 20.7-141.1-128.1 144.3 3.7 -6.3 33.8 30 33 A K E -ac 7 54A 14 -24,-2.6 -22,-2.7 -2,-0.3 2,-0.5 -0.928 19.1-164.8-107.5 121.8 6.7 -5.0 31.9 31 34 A V E + c 0 55A 0 23,-2.5 25,-3.0 -2,-0.6 2,-0.1 -0.920 18.2 160.9-111.2 129.0 8.6 -7.7 29.9 32 35 A G > - 0 0 1 -2,-0.5 4,-1.9 -24,-0.4 3,-0.3 -0.346 52.8 -55.4-131.2-153.5 12.1 -7.0 28.6 33 36 A W H > S+ 0 0 21 23,-0.4 4,-2.9 1,-0.2 5,-0.3 0.840 118.8 64.1 -67.9 -31.5 15.3 -8.5 27.4 34 37 A D H > S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.948 111.1 36.8 -55.3 -48.5 15.9 -10.8 30.3 35 38 A L H > S+ 0 0 0 -27,-0.3 4,-3.1 -3,-0.3 -1,-0.2 0.893 117.3 50.2 -71.9 -41.7 12.7 -12.8 29.6 36 39 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.891 106.0 56.9 -67.8 -37.2 13.0 -12.7 25.8 37 40 A F H < S+ 0 0 5 -4,-2.9 204,-2.9 -5,-0.2 205,-0.5 0.891 117.2 35.5 -55.0 -42.3 16.6 -13.8 25.9 38 41 A E H < S+ 0 0 107 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.953 133.0 22.9 -79.8 -50.3 15.5 -16.9 27.8 39 42 A G H >< S- 0 0 27 -4,-3.1 3,-0.5 1,-0.3 4,-0.3 0.336 94.7-129.8-104.0 6.4 12.2 -17.7 26.3 40 43 A G T >< - 0 0 5 -4,-2.2 3,-1.5 1,-0.2 -1,-0.3 -0.119 60.4 -49.0 59.3-174.4 12.2 -16.1 22.8 41 44 A I T >> S+ 0 0 7 196,-3.0 3,-1.9 1,-0.3 4,-0.6 0.679 126.2 82.7 -66.0 -16.7 9.2 -13.9 22.0 42 45 A S H <> S+ 0 0 69 -3,-0.5 4,-1.6 195,-0.4 3,-0.5 0.805 76.3 71.9 -60.2 -25.5 6.8 -16.6 23.2 43 46 A I H <> S+ 0 0 7 -3,-1.5 4,-2.7 -4,-0.3 5,-0.3 0.800 87.5 64.3 -59.5 -28.0 7.3 -15.4 26.8 44 47 A V H <> S+ 0 0 0 -3,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.944 104.6 44.0 -61.3 -47.5 5.2 -12.3 25.9 45 48 A G H < S+ 0 0 29 -4,-0.6 4,-0.5 -3,-0.5 -1,-0.2 0.834 112.3 54.1 -64.7 -33.9 2.1 -14.4 25.3 46 49 A E H >< S+ 0 0 77 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.946 111.3 42.5 -68.5 -48.5 2.8 -16.4 28.4 47 50 A I H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 4,-0.5 0.842 103.9 68.0 -65.6 -31.4 3.0 -13.4 30.7 48 51 A A T 3< S+ 0 0 33 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.684 84.9 71.5 -65.9 -14.8 -0.0 -11.9 28.9 49 52 A R T < S+ 0 0 147 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.694 102.1 44.5 -67.0 -18.4 -2.1 -14.7 30.5 50 53 A Y S < S- 0 0 29 -3,-2.3 -26,-0.5 1,-0.3 2,-0.3 0.485 126.4 -48.4-109.2 -7.6 -1.7 -13.0 33.8 51 54 A G S S- 0 0 30 -4,-0.5 -1,-0.3 -3,-0.4 -23,-0.1 -0.943 83.5 -29.4 161.9-179.3 -2.3 -9.3 32.9 52 55 A N - 0 0 78 -25,-0.4 -23,-2.9 -2,-0.3 2,-0.5 -0.389 58.0-149.7 -59.5 132.3 -1.6 -6.4 30.6 53 56 A V E -c 29 0A 1 24,-0.4 26,-2.4 -25,-0.2 27,-1.3 -0.940 14.1-168.5-112.9 122.0 1.9 -6.7 29.1 54 57 A I E -cd 30 80A 1 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.6 -0.936 19.1-146.8 -96.2 118.6 4.0 -3.7 28.2 55 58 A V E -cd 31 81A 0 25,-2.4 27,-1.9 -2,-0.6 2,-0.6 -0.797 14.0-167.2 -89.1 127.2 7.0 -5.0 26.2 56 59 A D E + d 0 82A 6 -25,-3.0 -23,-0.4 -2,-0.6 27,-0.1 -0.862 35.1 139.6-122.4 96.7 10.0 -2.9 26.9 57 60 A L E S- 0 0 3 -2,-0.6 3,-0.2 25,-0.6 -1,-0.1 -0.026 70.2-116.4-116.2 23.4 13.0 -3.3 24.6 58 61 A K E - 0 0 18 1,-0.2 25,-0.2 25,-0.1 26,-0.1 0.896 39.8-140.4 44.6 49.5 13.6 0.4 24.5 59 62 A I E + d 0 83A 0 23,-1.7 25,-2.6 1,-0.1 -1,-0.2 -0.130 42.2 153.7 -53.2 120.9 12.9 0.2 20.8 60 63 A A + 0 0 0 -3,-0.2 2,-0.3 23,-0.2 -1,-0.1 -0.399 24.4 115.4-150.6 65.9 15.2 2.4 18.9 61 64 A D - 0 0 9 1,-0.1 242,-0.0 29,-0.1 196,-0.0 -0.782 69.5 -78.1-129.1 172.7 15.8 1.2 15.3 62 65 A V >> - 0 0 8 -2,-0.3 4,-2.9 1,-0.1 3,-1.0 -0.274 54.8 -95.4 -72.3 161.6 15.0 2.7 11.9 63 66 A P H 3> S+ 0 0 62 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.816 119.0 55.2 -51.2 -45.0 11.4 2.4 10.6 64 67 A H H 3> S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 5,-0.0 0.866 120.0 33.3 -60.9 -33.5 11.7 -0.8 8.5 65 68 A V H <> S+ 0 0 5 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.914 117.7 51.7 -85.0 -47.4 13.0 -2.7 11.5 66 69 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.893 107.1 54.1 -57.5 -43.3 11.1 -0.9 14.3 67 70 A S H X S+ 0 0 77 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.919 111.6 45.1 -58.0 -45.1 7.7 -1.4 12.5 68 71 A R H X S+ 0 0 74 -4,-0.7 4,-2.7 -5,-0.3 -1,-0.2 0.894 112.1 51.8 -66.8 -41.6 8.3 -5.2 12.3 69 72 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.953 111.5 45.9 -60.8 -50.3 9.5 -5.4 15.9 70 73 A V H X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.925 113.2 51.5 -59.6 -42.8 6.4 -3.6 17.2 71 74 A E H X S+ 0 0 125 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.923 109.1 48.5 -61.3 -47.6 4.2 -5.8 15.1 72 75 A K H X S+ 0 0 70 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.909 113.4 49.0 -57.5 -42.3 5.7 -9.1 16.2 73 76 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 3,-0.6 0.942 112.5 45.4 -65.9 -49.2 5.4 -8.0 19.8 74 77 A V H ><5S+ 0 0 31 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.917 109.9 56.1 -60.3 -43.2 1.7 -6.8 19.6 75 78 A N H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.8 54.8 -59.1 -28.3 0.9 -10.0 17.7 76 79 A R T <<5S- 0 0 129 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.466 134.1 -82.8 -87.2 -3.4 2.3 -12.1 20.6 77 80 A G T < 5S+ 0 0 36 -3,-1.6 -24,-0.4 -4,-0.4 -3,-0.2 0.401 75.7 147.9 122.9 -1.3 0.0 -10.4 23.1 78 81 A A < - 0 0 5 -5,-2.0 -1,-0.3 1,-0.2 -24,-0.2 -0.447 34.7-157.4 -65.3 132.8 1.7 -7.1 24.1 79 82 A C S S- 0 0 37 -26,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.832 75.9 -13.9 -76.3 -33.0 -0.9 -4.4 24.9 80 83 A C E -d 54 0A 0 -27,-1.3 -25,-2.4 -7,-0.1 2,-0.3 -0.973 62.6-135.3-159.8 170.9 1.8 -1.8 24.2 81 84 A V E -de 55 97A 0 15,-3.0 17,-2.9 -2,-0.3 2,-0.5 -0.951 17.0-125.7-132.8 152.4 5.5 -1.2 23.7 82 85 A I E +de 56 98A 3 -27,-1.9 -23,-1.7 -2,-0.3 -25,-0.6 -0.860 30.7 179.5 -98.3 131.1 8.0 1.4 24.9 83 86 A V E -de 59 99A 0 15,-2.7 17,-2.8 -2,-0.5 2,-0.4 -0.911 33.0-101.1-125.7 157.9 10.1 3.2 22.2 84 87 A H E > - e 0 100A 0 -25,-2.6 3,-1.3 -2,-0.3 17,-0.1 -0.653 17.6-151.0 -82.5 127.5 12.7 5.9 22.5 85 88 A G G > S+ 0 0 0 15,-2.6 3,-2.2 -2,-0.4 -1,-0.1 0.710 87.6 80.0 -67.6 -19.8 11.6 9.4 21.8 86 89 A F G 3 S+ 0 0 1 14,-0.3 222,-2.6 1,-0.3 223,-0.4 0.723 78.1 72.3 -64.3 -15.4 15.1 10.4 20.6 87 90 A L G X S+ 0 0 1 -3,-1.3 3,-2.2 220,-0.2 -1,-0.3 0.633 82.0 165.2 -67.3 -16.1 14.1 8.7 17.2 88 91 A H T < + 0 0 37 -3,-2.2 220,-0.1 1,-0.4 32,-0.0 -0.229 60.8 21.0 -51.1 132.5 11.8 11.7 16.5 89 92 A P T 3 S+ 0 0 74 0, 0.0 2,-1.9 0, 0.0 -1,-0.4 -0.990 123.8 58.5 -88.4 -2.4 10.6 12.2 13.8 90 93 A S S < S+ 0 0 19 -3,-2.2 -2,-0.2 216,-1.1 -29,-0.1 -0.362 83.5 139.9 -82.0 60.9 11.3 8.6 12.8 91 94 A L - 0 0 14 -2,-1.9 -6,-0.1 -31,-0.0 -31,-0.0 -0.873 58.3-119.3-115.5 128.5 9.1 7.4 15.7 92 95 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -9,-0.1 -0.386 42.8-165.3 -58.1 145.1 6.6 4.6 15.8 93 96 A R + 0 0 97 30,-0.1 3,-0.2 31,-0.0 30,-0.2 -0.763 28.2 68.5-128.8 172.9 3.1 6.0 16.7 94 97 A G E > S- f 0 123A 27 28,-2.6 3,-2.0 -2,-0.2 30,-0.9 -0.374 89.5 -51.2 111.3 176.9 -0.4 5.1 17.8 95 98 A Q E 3 S+ 0 0 111 1,-0.3 -1,-0.2 28,-0.2 28,-0.1 0.530 126.6 62.2 -70.5 -6.3 -2.2 3.7 20.8 96 99 A H E 3 S+ 0 0 89 -3,-0.2 -15,-3.0 -16,-0.1 2,-0.6 0.468 91.0 91.9 -88.2 -4.5 0.2 0.8 21.2 97 100 A V E < -e 81 0A 2 -3,-2.0 27,-2.2 -17,-0.2 28,-1.3 -0.842 47.2-176.2-114.6 120.4 3.1 3.2 21.8 98 101 A Y E -ef 82 125A 0 -17,-2.9 -15,-2.7 -2,-0.6 2,-0.5 -0.913 22.7-147.9 -97.4 134.7 4.7 4.6 25.0 99 102 A V E -ef 83 126A 0 26,-2.6 28,-2.1 -2,-0.4 2,-0.5 -0.906 2.7-144.5-111.9 119.3 7.5 7.1 24.3 100 103 A L E +ef 84 127A 4 -17,-2.8 -15,-2.6 -2,-0.5 -14,-0.3 -0.696 27.2 165.1 -79.1 123.6 10.4 7.5 26.7 101 104 A V + 0 0 0 26,-1.8 2,-0.3 -2,-0.5 15,-0.1 0.432 64.8 17.7-123.3 -1.7 11.5 11.2 26.7 102 105 A K S S- 0 0 19 25,-0.8 -1,-0.4 10,-0.0 2,-0.2 -0.924 73.6-139.0-161.8 145.8 13.8 11.4 29.8 103 106 A M - 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