==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-13 4JEL . COMPND 2 MOLECULE: CMP/HYDROXYMETHYL CMP HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RIMOFACIENS; . AUTHOR M.D.SIKOWITZ,L.E.COOPER,T.P.BEGLEY,P.A.KAMINSKI,S.E.EALICK . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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-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 . 1 0.7 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 . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.3 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 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 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 . 1 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 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 11 A P 0 0 107 0, 0.0 41,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.1 23.9 20.4 43.9 2 12 A A + 0 0 113 1,-0.2 2,-0.6 39,-0.1 0, 0.0 0.919 360.0 45.6 -61.9 -45.0 20.5 20.1 45.8 3 13 A V S S- 0 0 26 1,-0.2 -1,-0.2 35,-0.1 3,-0.1 -0.911 70.8-167.9-103.4 118.5 18.8 21.9 42.9 4 14 A G - 0 0 31 -2,-0.6 40,-2.4 1,-0.3 2,-0.3 0.920 67.7 -9.4 -72.0 -46.0 19.9 20.5 39.5 5 15 A S E -a 44 0A 11 38,-0.2 72,-1.1 69,-0.0 71,-1.0 -0.996 55.8-164.2-153.9 152.4 18.4 23.2 37.3 6 16 A V E -ab 45 77A 0 38,-2.6 40,-2.8 -2,-0.3 2,-0.5 -0.981 14.7-144.3-134.1 145.4 16.1 26.3 37.5 7 17 A F E -ab 46 78A 0 70,-2.3 72,-2.7 -2,-0.3 2,-0.6 -0.979 20.6-156.3-104.4 123.1 14.3 28.3 34.8 8 18 A L E +ab 47 79A 0 38,-3.2 40,-0.5 -2,-0.5 41,-0.3 -0.884 16.7 179.7-103.4 120.6 14.3 32.0 35.8 9 19 A G E + b 0 80A 2 70,-2.7 72,-1.7 -2,-0.6 38,-0.0 -0.714 13.1 129.4-117.2 167.4 11.5 34.1 34.3 10 20 A G - 0 0 4 -2,-0.2 38,-0.1 70,-0.2 79,-0.1 -0.923 61.0 -39.0 166.6 171.6 10.4 37.7 34.5 11 21 A P + 0 0 11 0, 0.0 72,-0.1 0, 0.0 76,-0.0 -0.259 57.0 160.7 -53.2 139.8 9.4 40.7 32.5 12 22 A F >> + 0 0 27 4,-0.0 3,-2.1 36,-0.0 4,-0.6 0.519 64.3 37.3-126.1 -76.8 11.6 41.0 29.5 13 23 A R G >4 S+ 0 0 175 1,-0.3 3,-1.4 2,-0.2 74,-0.0 0.845 114.7 55.8 -51.9 -39.7 10.3 43.2 26.6 14 24 A Q G 34 S+ 0 0 78 1,-0.3 -1,-0.3 71,-0.1 73,-0.0 0.657 105.6 53.0 -70.7 -15.2 8.8 45.8 29.0 15 25 A L G <4 S+ 0 0 40 -3,-2.1 2,-0.9 2,-0.1 9,-0.6 0.538 86.0 103.5 -92.2 -8.8 12.1 46.3 30.7 16 26 A V E << S-E 23 0B 22 -3,-1.4 7,-0.3 -4,-0.6 39,-0.1 -0.679 70.2-141.1 -82.4 105.6 13.8 47.0 27.3 17 27 A D E >>> -E 22 0B 66 5,-1.7 4,-3.9 -2,-0.9 3,-1.2 -0.549 7.9-154.9 -62.2 108.8 14.4 50.7 26.9 18 28 A P T 345S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.587 93.3 60.1 -70.8 -9.1 13.6 51.2 23.2 19 29 A R T 345S+ 0 0 223 3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.744 120.8 24.4 -83.2 -27.8 15.9 54.2 23.2 20 30 A T T <45S- 0 0 87 -3,-1.2 3,-0.1 2,-0.2 -1,-0.1 0.627 97.9-133.0-109.0 -23.0 18.9 52.0 24.2 21 31 A G T <5S+ 0 0 31 -4,-3.9 2,-0.3 1,-0.3 -5,-0.1 0.447 77.6 70.1 82.6 -1.2 17.6 48.7 22.9 22 32 A V E - 0 0 57 -9,-0.6 4,-2.4 -2,-0.2 5,-0.2 -0.235 30.5-113.3 -64.6 162.2 19.0 49.0 32.1 25 35 A S H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.804 117.3 59.0 -73.6 -25.9 21.9 47.7 34.1 26 36 A G H > S+ 0 0 47 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.907 109.7 42.6 -64.2 -43.3 19.9 48.0 37.3 27 37 A D H > S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.890 113.6 51.4 -69.8 -40.7 17.3 45.6 35.9 28 38 A Q H X S+ 0 0 43 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.858 103.7 61.9 -61.8 -34.3 20.0 43.3 34.5 29 39 A N H X S+ 0 0 89 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.861 97.3 55.2 -61.7 -40.3 21.5 43.3 38.0 30 40 A V H X S+ 0 0 31 -4,-1.1 4,-1.5 -3,-0.3 -1,-0.2 0.956 115.7 38.6 -56.7 -49.2 18.4 41.7 39.6 31 41 A F H X S+ 0 0 5 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.933 114.3 51.0 -70.6 -48.0 18.6 38.8 37.2 32 42 A S H X S+ 0 0 45 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.849 109.7 53.3 -61.9 -31.2 22.4 38.3 37.0 33 43 A R H X S+ 0 0 97 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.907 111.1 44.1 -69.9 -40.3 22.5 38.3 40.8 34 44 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.874 112.6 53.4 -69.8 -37.5 19.8 35.5 41.0 35 45 A I H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 3,-0.3 0.941 110.8 46.0 -59.7 -47.6 21.6 33.6 38.2 36 46 A E H X S+ 0 0 131 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.845 103.9 64.1 -64.7 -34.3 24.9 33.8 40.1 37 47 A H H < S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.7 31.7 -55.6 -42.5 23.0 32.7 43.3 38 48 A F H ><>S+ 0 0 6 -4,-1.6 5,-1.9 -3,-0.3 3,-1.8 0.911 117.4 52.5 -82.9 -44.5 22.2 29.4 41.6 39 49 A E H ><5S+ 0 0 84 -4,-3.0 3,-2.3 1,-0.3 -3,-0.2 0.837 96.5 69.2 -64.4 -30.6 25.3 28.9 39.4 40 50 A S T 3<5S+ 0 0 79 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.647 104.1 44.8 -62.1 -12.9 27.6 29.5 42.4 41 51 A R T < 5S- 0 0 186 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.250 125.7-100.2-111.8 9.2 26.3 26.1 43.7 42 52 A G T < 5S+ 0 0 51 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.612 74.3 145.7 83.3 10.9 26.6 24.3 40.3 43 53 A T < - 0 0 8 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.676 50.2-125.2 -81.4 133.1 22.9 24.7 39.5 44 54 A T E -a 5 0A 71 -40,-2.4 -38,-2.6 -2,-0.4 2,-0.5 -0.658 26.2-157.4 -78.3 131.2 22.1 25.1 35.8 45 55 A V E -a 6 0A 7 -2,-0.4 2,-0.4 -40,-0.2 -38,-0.2 -0.940 9.5-163.1-114.7 129.5 20.1 28.2 35.2 46 56 A Y E +a 7 0A 66 -40,-2.8 -38,-3.2 -2,-0.5 2,-0.3 -0.929 23.2 159.4-103.7 137.7 17.9 28.8 32.1 47 57 A N E > -a 8 0A 4 -2,-0.4 4,-2.0 -40,-0.2 -38,-0.1 -0.869 35.9-153.2-165.7 121.7 17.0 32.4 31.6 48 58 A A H > S+ 0 0 8 -40,-0.5 4,-2.7 -2,-0.3 6,-0.2 0.806 93.8 61.8 -71.1 -32.2 15.8 34.3 28.4 49 59 A H H 4>S+ 0 0 5 -41,-0.3 5,-2.9 2,-0.2 6,-0.4 0.953 112.8 34.7 -61.0 -52.3 17.1 37.7 29.6 50 60 A R H >45S+ 0 0 92 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.897 116.8 57.7 -66.5 -38.7 20.7 36.5 29.7 51 61 A R H 3<5S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.869 108.4 44.6 -60.1 -40.3 20.2 34.3 26.7 52 62 A E T ><>S- 0 0 9 -4,-2.7 3,-1.8 -5,-0.1 5,-1.7 -0.099 120.3-100.5-104.7 35.1 19.0 37.1 24.5 53 63 A A G X 5S- 0 0 43 -3,-1.4 3,-1.3 1,-0.3 -3,-0.2 0.779 72.2 -64.8 59.7 33.6 21.7 39.6 25.4 54 64 A W G 3 - 0 0 47 -2,-0.1 4,-3.0 1,-0.1 5,-0.3 -0.306 42.5-108.1 -64.6 158.1 11.9 34.8 16.7 61 71 A P H > S+ 0 0 107 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.909 121.4 49.5 -56.0 -42.1 8.6 34.3 18.4 62 72 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.888 114.0 45.8 -63.7 -40.0 8.6 30.6 17.4 63 73 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 112.7 48.4 -70.0 -44.6 12.1 30.1 18.7 64 74 A A H X S+ 0 0 17 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.925 113.2 49.3 -59.1 -43.9 11.5 31.9 22.0 65 75 A T H X S+ 0 0 74 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.935 113.2 46.0 -63.4 -47.7 8.3 29.9 22.6 66 76 A R H X S+ 0 0 48 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.934 116.5 42.7 -61.9 -50.2 10.0 26.6 21.9 67 77 A L H X S+ 0 0 64 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.923 114.9 50.2 -66.0 -43.5 13.1 27.2 24.0 68 78 A D H X S+ 0 0 22 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.965 114.3 43.9 -59.8 -52.3 11.2 28.7 26.9 69 79 A H H X S+ 0 0 60 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.928 115.5 48.5 -57.9 -46.0 8.7 25.8 27.0 70 80 A D H X S+ 0 0 86 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.881 113.5 46.0 -62.2 -41.2 11.5 23.2 26.6 71 81 A E H X S+ 0 0 39 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.848 110.4 52.0 -77.0 -32.5 13.7 24.6 29.3 72 82 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.934 112.4 48.2 -63.5 -43.2 10.8 25.1 31.8 73 83 A K H < S+ 0 0 126 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.869 114.0 46.2 -63.9 -36.7 10.0 21.5 31.2 74 84 A A H < S+ 0 0 59 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.821 96.7 90.0 -76.1 -32.6 13.6 20.4 31.7 75 85 A A S < S- 0 0 1 -4,-2.1 -69,-0.2 1,-0.1 3,-0.1 -0.293 72.5-138.8 -70.4 151.0 14.2 22.4 34.8 76 86 A D S S+ 0 0 85 -71,-1.0 2,-0.3 1,-0.2 -70,-0.2 0.821 88.3 20.5 -74.2 -31.7 13.6 21.1 38.3 77 87 A V E -b 6 0A 1 -72,-1.1 -70,-2.3 25,-0.1 2,-0.6 -0.995 66.0-142.5-142.0 144.3 12.0 24.3 39.5 78 88 A F E -bc 7 104A 1 25,-2.7 27,-2.6 -2,-0.3 2,-0.5 -0.943 20.4-177.6-107.8 117.8 10.4 27.4 37.8 79 89 A V E +bc 8 105A 0 -72,-2.7 -70,-2.7 -2,-0.6 2,-0.3 -0.973 15.9 161.0-117.0 121.6 11.2 30.8 39.5 80 90 A A E -bc 9 106A 0 25,-2.4 27,-2.9 -2,-0.5 -70,-0.2 -0.995 43.0-136.8-147.2 147.8 9.6 33.9 38.2 81 91 A F - 0 0 18 -72,-1.7 27,-0.1 -2,-0.3 6,-0.1 -0.886 17.7-157.4 -87.8 117.9 8.6 37.5 38.7 82 92 A P > - 0 0 0 0, 0.0 5,-2.8 0, 0.0 9,-0.2 0.856 43.4-136.0 -66.7 -27.6 5.1 37.9 37.2 83 93 A G T 5 - 0 0 6 24,-0.4 4,-0.1 3,-0.2 -73,-0.0 0.255 4.9 -86.0 94.9 146.1 5.9 41.6 36.9 84 94 A V T 5S+ 0 0 56 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.943 125.5 26.6-129.2 110.2 4.3 45.0 37.6 85 95 A P T 5S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -71,-0.1 0.647 127.4 -91.8 -70.2 171.4 2.7 45.6 35.2 86 96 A A T 5 - 0 0 56 -2,-0.2 -3,-0.2 1,-0.1 -2,-0.1 -0.211 28.5-131.5 -60.4 133.5 2.2 42.0 34.2 87 97 A S >< - 0 0 7 -5,-2.8 4,-2.3 1,-0.2 5,-0.2 -0.777 12.8-154.4 -80.4 114.6 4.7 40.3 31.8 88 98 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.919 93.2 46.7 -56.1 -51.2 2.6 38.6 29.1 89 99 A G H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.875 111.5 50.5 -60.3 -43.3 5.3 36.0 28.3 90 100 A T H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 108.1 53.9 -65.0 -35.6 5.9 35.2 32.0 91 101 A H H X S+ 0 0 46 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.910 107.0 50.6 -67.0 -38.4 2.2 34.7 32.5 92 102 A V H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.946 112.0 49.1 -58.6 -45.2 2.1 32.2 29.6 93 103 A E H X S+ 0 0 12 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.856 105.2 55.8 -63.3 -39.0 5.0 30.5 31.4 94 104 A I H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.883 109.2 49.4 -59.4 -38.8 3.2 30.5 34.7 95 105 A G H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 111.6 47.5 -62.6 -47.1 0.4 28.7 32.9 96 106 A W H X S+ 0 0 68 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.956 116.1 44.4 -58.3 -51.0 2.8 26.1 31.4 97 107 A A H X>S+ 0 0 0 -4,-3.1 5,-2.9 1,-0.2 4,-0.5 0.916 117.0 42.6 -63.2 -50.8 4.5 25.5 34.7 98 108 A S H ><5S+ 0 0 33 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.869 114.0 52.2 -65.0 -36.5 1.4 25.2 36.8 99 109 A G H 3<5S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.755 111.5 48.4 -69.7 -23.3 -0.5 23.2 34.2 100 110 A X H 3<5S- 0 0 70 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.490 113.0-117.0 -90.5 -12.0 2.5 20.8 34.2 101 111 A G T <<5 + 0 0 53 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.816 55.9 165.2 71.3 30.1 2.8 20.4 37.9 102 112 A K < - 0 0 31 -5,-2.9 -1,-0.2 -6,-0.2 24,-0.1 -0.643 45.8-109.0 -77.7 131.9 6.2 22.0 37.9 103 113 A P - 0 0 22 0, 0.0 -25,-2.7 0, 0.0 2,-0.4 -0.425 50.5-173.9 -57.2 133.8 7.4 23.2 41.3 104 114 A X E -cd 78 127A 0 22,-2.2 24,-1.8 -27,-0.2 2,-0.5 -0.990 29.6-160.2-143.1 143.9 7.3 27.0 41.2 105 115 A V E -cd 79 128A 0 -27,-2.6 -25,-2.4 -2,-0.4 2,-0.5 -0.984 15.5-156.3-119.0 124.9 8.3 30.0 43.2 106 116 A L E -cd 80 129A 0 22,-2.6 24,-3.2 -2,-0.5 2,-0.8 -0.888 5.6-150.1-104.3 126.7 6.5 33.3 42.3 107 117 A L E - d 0 130A 0 -27,-2.9 2,-0.5 -2,-0.5 -24,-0.4 -0.841 21.7-177.8-100.1 106.9 8.4 36.5 43.3 108 118 A L E - d 0 131A 0 22,-2.1 24,-1.9 -2,-0.8 2,-0.1 -0.899 29.6-117.4-114.6 130.9 5.8 39.2 44.0 109 119 A E E > - d 0 132A 69 -2,-0.5 3,-1.5 22,-0.2 24,-0.2 -0.421 41.9-107.2 -62.0 131.1 6.5 42.8 45.0 110 120 A R T 3 S+ 0 0 88 22,-2.8 -1,-0.1 1,-0.3 3,-0.1 -0.348 100.3 11.0 -62.4 139.1 5.2 43.5 48.4 111 121 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.693 100.2 119.5 64.5 21.4 2.0 45.7 48.4 112 122 A E < - 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