==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER XIDOREDUCTASE 23-DEC-04 2BGM . COMPND 2 MOLECULE: RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PODOPHYLLUM PELTATUM; . AUTHOR B.YOUN,S.G.MOINUDDIN,L.B.DAVIN,N.G.LEWIS,C.KANG . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 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 . 0 0.0 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 0.4 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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 0 1 0 2 2 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 2 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 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 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 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 T 0 0 135 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -30.2 13.5 23.9 -3.5 2 12 A N + 0 0 100 28,-0.1 28,-0.2 3,-0.1 27,-0.1 -0.691 360.0 118.3-155.6 85.2 17.1 23.4 -2.6 3 13 A R S S+ 0 0 131 26,-1.4 233,-0.2 -2,-0.2 27,-0.1 0.236 91.7 40.8-114.5 -28.9 17.9 25.1 0.8 4 14 A L S > S+ 0 0 0 25,-2.6 3,-0.7 22,-0.2 2,-0.2 -0.174 84.5 155.3-111.2 30.9 18.9 21.8 2.2 5 15 A Q T 3 + 0 0 130 1,-0.2 26,-0.2 26,-0.1 25,-0.1 -0.571 68.3 25.4 -61.2 127.6 20.7 20.8 -1.1 6 16 A D T 3 S+ 0 0 79 24,-0.9 -1,-0.2 1,-0.2 26,-0.1 -0.587 93.9 138.6 124.0 -56.0 23.3 18.2 0.0 7 17 A K < - 0 0 47 -3,-0.7 25,-3.6 24,-0.1 2,-0.5 0.248 38.1-166.3 -62.0 138.6 21.7 16.9 3.1 8 18 A V E +a 32 0A 3 23,-0.2 77,-2.3 25,-0.0 76,-1.8 -0.979 20.5 178.8-116.7 118.5 21.2 13.6 4.6 9 19 A A E -ab 33 85A 0 23,-2.4 25,-1.7 -2,-0.5 2,-0.4 -0.866 22.8-154.5-117.3 148.5 18.7 13.3 7.3 10 20 A I E -ab 34 86A 0 75,-1.5 77,-2.3 -2,-0.3 2,-0.6 -0.985 10.2-161.2-118.6 126.7 17.2 10.6 9.6 11 21 A I E > -ab 35 87A 0 23,-2.5 25,-2.6 -2,-0.4 3,-1.1 -0.940 6.6-159.9-106.3 98.1 13.7 11.2 11.0 12 22 A T E 3 S+a 36 0A 0 75,-2.2 77,-0.5 -2,-0.6 25,-0.2 -0.496 87.0 21.1 -63.3 146.8 13.1 8.9 14.1 13 23 A G T > S+ 0 0 15 23,-1.0 3,-1.3 48,-0.2 6,-0.5 0.756 88.8 148.5 59.1 21.3 9.2 8.6 14.7 14 24 A G T < + 0 0 0 22,-1.1 9,-0.2 -3,-1.1 23,-0.1 0.429 54.4 64.3 -75.8 -4.5 9.0 9.7 11.0 15 25 A A T 3 S+ 0 0 2 21,-0.3 -1,-0.3 4,-0.1 22,-0.1 0.679 93.9 84.9 -83.9 -20.2 5.8 7.8 10.1 16 26 A G S <> S- 0 0 32 -3,-1.3 4,-2.4 4,-0.0 5,-0.3 0.057 99.1 -84.0 -73.3 178.0 3.8 10.0 12.6 17 27 A G H > S+ 0 0 29 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.919 125.7 30.2 -48.9 -61.1 2.2 13.5 12.3 18 28 A I H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 120.4 56.4 -72.9 -34.7 5.3 15.8 13.0 19 29 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.873 108.3 43.3 -66.6 -41.9 7.7 13.2 11.4 20 30 A E H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.832 114.2 48.9 -71.1 -37.3 6.0 12.9 8.0 21 31 A T H X S+ 0 0 12 -4,-1.1 4,-2.4 -5,-0.3 -2,-0.2 0.917 113.0 49.7 -70.2 -43.5 5.4 16.7 7.5 22 32 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.953 112.6 45.7 -58.9 -50.3 9.0 17.3 8.4 23 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.842 111.5 52.6 -60.5 -38.8 10.3 14.6 5.9 24 34 A K H X S+ 0 0 71 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.921 113.2 45.3 -59.7 -45.0 8.0 16.0 3.2 25 35 A L H X S+ 0 0 5 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.832 110.6 50.8 -76.8 -35.9 9.5 19.4 3.9 26 36 A F H <>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 -2,-0.2 0.938 112.4 48.4 -65.6 -40.3 13.1 18.2 4.0 27 37 A V H ><5S+ 0 0 31 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.978 108.7 53.6 -59.1 -53.4 12.5 16.4 0.5 28 38 A R H 3<5S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.4 53.3 -52.9 -25.2 10.9 19.6 -0.9 29 39 A Y T 3<5S- 0 0 27 -4,-1.3 -25,-2.6 -3,-0.2 -26,-1.4 0.324 126.9 -94.2 -97.0 9.9 14.2 21.4 0.2 30 40 A G T < 5S+ 0 0 19 -3,-2.7 -24,-0.9 1,-0.3 -3,-0.2 0.611 78.0 131.5 99.6 11.5 16.6 19.0 -1.6 31 41 A A < - 0 0 0 -5,-1.9 2,-0.6 -4,-0.2 -1,-0.3 -0.559 56.4-124.3-100.5 164.1 17.5 16.5 1.0 32 42 A K E -a 8 0A 71 -25,-3.6 -23,-2.4 -2,-0.2 2,-0.3 -0.930 37.0-163.0-104.2 127.4 17.8 12.7 1.2 33 43 A V E -ac 9 56A 0 22,-2.2 24,-1.4 -2,-0.6 2,-0.5 -0.898 21.2-163.0-118.2 138.4 15.6 11.4 4.1 34 44 A V E -ac 10 57A 0 -25,-1.7 -23,-2.5 -2,-0.3 2,-0.3 -0.951 13.9-157.6-119.1 106.5 15.4 8.1 6.1 35 45 A I E -ac 11 58A 0 22,-1.8 24,-1.9 -2,-0.5 2,-0.4 -0.681 13.0-163.9 -73.9 132.2 12.1 7.8 8.0 36 46 A A E +ac 12 59A 0 -25,-2.6 -22,-1.1 -2,-0.3 -23,-1.0 -0.992 23.7 130.8-128.9 135.2 12.6 5.3 10.9 37 47 A D E - c 0 60A 23 22,-1.5 24,-1.1 -2,-0.4 25,-0.1 -0.993 59.9-122.1-171.8 163.1 9.7 3.7 12.9 38 48 A I S S+ 0 0 94 -2,-0.3 2,-1.5 22,-0.2 24,-0.1 0.601 90.3 90.7 -91.1 -17.5 8.0 0.7 14.3 39 49 A A > - 0 0 35 1,-0.2 4,-3.2 2,-0.1 5,-0.2 -0.684 63.2-173.9 -87.3 76.3 4.8 1.3 12.3 40 50 A D H > S+ 0 0 88 -2,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.821 71.1 31.8 -19.2 -75.4 5.8 -0.7 9.3 41 51 A D H > S+ 0 0 92 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.714 119.3 52.5 -78.9 -31.4 3.1 -0.1 6.7 42 52 A H H > S+ 0 0 98 2,-0.2 4,-1.8 3,-0.1 -2,-0.2 0.910 110.3 49.6 -73.8 -42.9 2.3 3.5 7.7 43 53 A G H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.871 113.4 47.6 -56.4 -43.9 6.1 4.3 7.5 44 54 A Q H X S+ 0 0 87 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.879 111.8 48.1 -65.0 -42.7 6.1 2.6 4.0 45 55 A K H < S+ 0 0 105 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.756 111.9 52.4 -66.8 -32.4 2.9 4.5 2.8 46 56 A V H >X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.1 3,-0.5 0.941 115.5 39.1 -65.7 -48.8 4.4 7.8 4.1 47 57 A C H 3X S+ 0 0 8 -4,-1.8 4,-1.6 1,-0.2 3,-0.4 0.962 115.3 48.3 -68.0 -54.1 7.7 7.2 2.1 48 58 A N H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.446 111.3 57.2 -70.9 -0.7 6.3 5.8 -1.1 49 59 A N H <4 S+ 0 0 127 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.887 107.3 44.1 -83.9 -54.7 3.9 8.8 -0.9 50 60 A I H < S- 0 0 40 -4,-1.5 2,-0.3 -3,-0.4 -2,-0.2 0.774 122.6 -44.3 -67.0 -45.1 6.5 11.6 -0.8 51 61 A G S < S- 0 0 26 -4,-1.6 -1,-0.1 5,-0.1 -27,-0.0 -0.953 72.7 -55.6-172.0-172.1 9.0 10.6 -3.5 52 62 A S >> - 0 0 72 -2,-0.3 3,-2.6 1,-0.1 4,-1.9 -0.463 54.0 -98.1 -84.3 155.9 11.0 7.7 -4.8 53 63 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.506 116.6 72.6 -35.8 -20.7 13.5 5.4 -3.0 54 64 A D T 34 S+ 0 0 134 1,-0.1 3,-0.1 -22,-0.0 0, 0.0 0.754 114.6 20.4 -74.7 -30.8 16.4 7.5 -4.2 55 65 A V T <4 S+ 0 0 42 -3,-2.6 -22,-2.2 1,-0.3 2,-0.4 0.772 131.2 27.8-106.7 -43.3 15.4 10.3 -1.8 56 66 A I E < +c 33 0A 2 -4,-1.9 -1,-0.3 -24,-0.2 2,-0.3 -0.978 60.8 165.2-126.2 142.7 13.3 8.7 1.0 57 67 A S E -c 34 0A 25 -24,-1.4 -22,-1.8 -2,-0.4 2,-0.4 -0.926 29.5-123.6-142.5 161.2 13.3 5.2 2.3 58 68 A F E -c 35 0A 45 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.906 20.9-174.4-110.3 136.1 11.9 3.5 5.4 59 69 A V E -c 36 0A 15 -24,-1.9 -22,-1.5 -2,-0.4 2,-0.3 -0.995 27.7-123.0-121.4 136.2 13.9 1.5 7.9 60 70 A H E +c 37 0A 96 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.653 43.1 164.4 -78.0 134.8 12.3 -0.4 10.9 61 71 A C - 0 0 2 -24,-1.1 2,-0.8 -2,-0.3 -48,-0.2 -0.907 32.3-163.3-157.2 124.7 13.8 0.9 14.0 62 72 A D > - 0 0 41 -2,-0.3 3,-2.6 3,-0.2 6,-0.3 -0.954 20.5-151.6-107.0 100.9 12.7 0.6 17.6 63 73 A V T 3 S+ 0 0 10 -2,-0.8 58,-0.2 1,-0.3 59,-0.1 0.423 90.8 66.5 -65.5 -0.1 14.8 3.3 19.2 64 74 A T T 3 S+ 0 0 39 1,-0.1 2,-0.6 57,-0.1 -1,-0.3 0.471 91.5 79.4 -92.8 1.3 14.9 1.5 22.6 65 75 A K <> - 0 0 92 -3,-2.6 4,-1.8 1,-0.1 5,-0.2 -0.907 64.7-164.7-113.0 112.3 17.0 -1.1 20.7 66 76 A D H > S+ 0 0 49 -2,-0.6 4,-2.1 2,-0.2 -1,-0.1 0.743 90.6 58.7 -61.9 -32.6 20.6 -0.1 20.2 67 77 A E H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.4 46.8 -66.0 -38.2 21.2 -2.8 17.6 68 78 A D H > S+ 0 0 34 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.838 113.0 46.5 -71.5 -36.3 18.3 -1.2 15.6 69 79 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 -7,-0.2 5,-0.2 0.861 112.3 52.4 -71.4 -35.4 19.7 2.4 16.0 70 80 A R H X S+ 0 0 114 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.977 114.4 43.2 -59.7 -54.1 23.2 1.0 15.1 71 81 A N H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.829 110.0 54.8 -59.5 -42.4 21.5 -0.4 11.9 72 82 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.925 115.1 39.9 -58.6 -47.5 19.4 2.7 11.1 73 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 116.0 48.9 -66.8 -48.8 22.5 4.9 11.1 74 84 A D H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.817 110.4 52.8 -64.8 -35.3 24.9 2.4 9.3 75 85 A T H X S+ 0 0 44 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.830 108.7 50.0 -67.5 -36.0 22.2 1.8 6.6 76 86 A T H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 6,-0.3 0.897 112.0 47.4 -69.3 -40.3 22.1 5.7 6.1 77 87 A I H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.945 113.4 48.5 -62.4 -44.4 25.9 5.9 5.7 78 88 A A H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.833 120.0 37.8 -63.4 -29.9 25.8 2.9 3.3 79 89 A K H < S+ 0 0 80 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.951 132.5 20.5 -84.5 -67.0 23.0 4.5 1.2 80 90 A H S < S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.811 91.3-121.5-100.5 138.9 24.0 8.2 1.3 81 91 A G S S+ 0 0 74 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.2 0.379 80.9 17.1 -74.9 18.5 27.7 8.6 2.1 82 92 A K - 0 0 60 -6,-0.3 2,-0.4 -2,-0.1 -2,-0.1 -0.929 66.6-114.1-165.2 174.2 27.3 10.7 5.3 83 93 A L + 0 0 4 46,-0.4 52,-0.2 -2,-0.2 -74,-0.1 -0.930 33.7 155.2-135.0 109.5 25.0 12.1 8.2 84 94 A D + 0 0 10 -76,-1.8 53,-1.7 -2,-0.4 2,-0.4 0.832 67.0 31.8 -92.0 -43.8 24.2 15.9 8.4 85 95 A I E -bd 9 137A 1 -77,-2.3 -75,-1.5 51,-0.2 2,-0.5 -0.969 52.4-175.0-129.5 128.8 20.9 15.9 10.4 86 96 A M E -bd 10 138A 0 51,-3.0 53,-3.4 -2,-0.4 2,-0.6 -0.971 4.6-173.3-124.6 120.5 19.4 13.8 13.1 87 97 A F E -bd 11 139A 0 -77,-2.3 -75,-2.2 -2,-0.5 2,-0.9 -0.941 7.1-163.2-111.2 103.4 15.9 14.6 14.2 88 98 A G E + d 0 140A 7 51,-2.6 53,-2.5 -2,-0.6 -75,-0.1 -0.805 25.9 156.9 -87.1 93.4 14.9 12.4 17.3 89 99 A N + 0 0 22 -2,-0.9 2,-0.4 -77,-0.5 -70,-0.2 -0.090 21.8 123.5-112.4 20.8 11.1 12.8 17.2 90 100 A V + 0 0 30 24,-0.1 2,-0.3 25,-0.1 51,-0.1 -0.745 26.3 148.3 -88.9 135.2 9.9 9.7 19.1 91 101 A G - 0 0 36 -2,-0.4 2,-0.3 27,-0.0 20,-0.0 -0.897 23.1-164.0-158.2 142.4 7.7 10.3 22.0 92 102 A V - 0 0 54 -2,-0.3 2,-0.1 19,-0.2 23,-0.1 -0.912 15.9-129.1-124.2 157.0 4.8 8.4 23.6 93 103 A L - 0 0 122 -2,-0.3 2,-0.3 1,-0.1 60,-0.0 -0.450 34.5 -91.2 -90.1 173.6 2.1 9.4 26.1 94 104 A S - 0 0 28 -2,-0.1 -1,-0.1 2,-0.1 60,-0.1 -0.627 21.1-159.6 -86.0 147.0 1.2 7.6 29.3 95 105 A T S S+ 0 0 128 -2,-0.3 -1,-0.1 2,-0.1 12,-0.0 0.073 71.4 74.8-115.0 12.3 -1.5 5.0 29.4 96 106 A T S S- 0 0 43 1,-0.1 7,-0.2 8,-0.1 -2,-0.1 -0.808 96.0 -80.5-113.3 162.3 -2.3 5.1 33.1 97 107 A P - 0 0 80 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.220 38.1-112.3 -63.1 157.1 -4.3 8.0 34.8 98 108 A Y S S+ 0 0 89 56,-0.1 57,-0.5 5,-0.1 5,-0.1 0.838 83.9 99.0 -54.8 -46.1 -2.7 11.4 35.7 99 109 A S S >> S- 0 0 54 1,-0.2 3,-1.8 3,-0.1 4,-1.3 -0.294 76.6-130.9 -61.0 133.5 -2.9 11.2 39.6 100 110 A I T 34 S+ 0 0 114 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.733 108.3 59.7 -49.8 -32.3 0.4 10.1 41.1 101 111 A L T 34 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.777 115.3 31.3 -68.5 -34.2 -1.6 7.6 43.1 102 112 A E T <4 S+ 0 0 130 -3,-1.8 2,-0.3 2,-0.1 -2,-0.2 0.467 90.6 116.1-109.8 1.1 -3.0 5.9 40.0 103 113 A A S < S- 0 0 29 -4,-1.3 2,-0.1 -7,-0.2 -5,-0.1 -0.512 70.1-117.6 -72.9 127.0 0.1 6.5 37.7 104 114 A G > - 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