==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-96 1IOL . COMPND 2 MOLECULE: ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.AZZI,P.H.REHSE,D.-W.ZHU,R.L.CAMPBELL,F.LABRIE,S.-X.LIN . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.0 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 . 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 . 13 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 1 1 3 0 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 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 1 A A 0 0 63 0, 0.0 30,-0.2 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0-164.2 29.6 -3.4 19.9 2 2 A R - 0 0 95 28,-0.1 2,-0.8 2,-0.1 28,-0.2 -0.212 360.0 -20.6 66.1-164.7 29.4 0.3 19.0 3 3 A T E S-a 30 0A 49 26,-2.9 28,-2.0 82,-0.1 2,-0.4 -0.705 76.8-141.7 -76.3 108.3 26.2 1.6 17.4 4 4 A V E -a 31 0A 0 -2,-0.8 81,-2.2 26,-0.2 82,-1.8 -0.659 22.7-174.9 -77.3 127.3 24.7 -1.6 16.0 5 5 A V E -ab 32 86A 0 26,-2.6 28,-2.3 -2,-0.4 2,-0.4 -0.958 10.4-165.9-125.1 137.4 23.0 -1.1 12.6 6 6 A L E -ab 33 87A 0 80,-2.6 82,-2.8 -2,-0.4 2,-0.4 -0.996 9.1-174.0-126.7 127.9 21.0 -3.6 10.7 7 7 A I E -ab 34 88A 0 26,-2.5 28,-2.4 -2,-0.4 2,-0.4 -0.937 12.8-143.9-123.5 142.5 20.2 -3.1 7.0 8 8 A T S S+ 0 0 5 80,-1.5 82,-0.2 -2,-0.4 28,-0.1 -0.841 75.7 24.2-107.7 143.8 18.0 -5.1 4.6 9 9 A G + 0 0 25 26,-0.4 3,-0.5 -2,-0.4 7,-0.4 0.928 64.3 159.0 73.8 52.4 18.7 -5.7 0.9 10 10 A C + 0 0 0 25,-2.4 26,-0.1 -3,-0.3 3,-0.1 0.083 42.2 98.0 -94.9 25.7 22.4 -5.1 0.7 11 11 A S S S- 0 0 41 1,-0.1 2,-0.3 24,-0.1 -1,-0.2 0.497 101.6 -30.0 -90.0 -2.4 23.3 -7.0 -2.5 12 12 A S S >> S+ 0 0 65 -3,-0.5 4,-1.4 32,-0.1 3,-0.6 -0.955 102.0 55.3 173.8-176.0 23.3 -3.8 -4.5 13 13 A G H 3> S- 0 0 34 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.160 112.5 -32.8 66.3-159.3 21.8 -0.3 -4.7 14 14 A I H 3> S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.773 133.5 67.4 -67.5 -24.1 21.9 2.1 -1.8 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.3 -5,-0.2 0.982 105.7 38.1 -58.9 -59.0 21.7 -0.8 0.6 16 16 A L H X S+ 0 0 7 -4,-1.4 4,-2.1 -7,-0.4 5,-0.3 0.922 118.8 50.3 -56.8 -45.6 25.1 -2.1 -0.3 17 17 A H H X S+ 0 0 61 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.837 111.1 49.1 -63.5 -33.2 26.5 1.4 -0.6 18 18 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.892 108.5 52.6 -75.0 -40.3 25.1 2.3 2.8 19 19 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.974 114.2 40.8 -61.0 -54.2 26.5 -0.7 4.6 20 20 A V H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.864 112.3 56.9 -64.8 -32.8 30.1 -0.2 3.4 21 21 A R H < S+ 0 0 55 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.900 114.2 39.6 -63.5 -38.8 29.7 3.6 4.0 22 22 A L H >< S+ 0 0 1 -4,-2.1 3,-1.6 -3,-0.2 8,-0.3 0.966 115.8 48.5 -74.9 -52.9 28.9 2.9 7.6 23 23 A A H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.783 114.1 47.9 -58.4 -31.2 31.3 0.1 8.3 24 24 A S T 3< S+ 0 0 31 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.383 79.6 135.5 -91.5 0.0 34.2 2.1 6.7 25 25 A D X - 0 0 24 -3,-1.6 3,-2.2 -4,-0.2 5,-0.2 -0.246 62.7-125.2 -53.2 133.4 33.5 5.4 8.6 26 26 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.812 108.8 57.8 -49.3 -38.2 36.7 7.0 10.0 27 27 A S T 3 S- 0 0 74 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.610 94.3-144.6 -70.8 -14.5 35.3 7.0 13.6 28 28 A Q < + 0 0 117 -3,-2.2 -1,-0.1 -6,-0.1 -5,-0.1 0.803 56.1 133.7 51.9 36.2 34.8 3.2 13.5 29 29 A S + 0 0 43 -7,-0.1 -26,-2.9 -27,-0.1 2,-0.4 0.417 44.4 77.3 -96.9 2.8 31.6 3.7 15.6 30 30 A F E -a 3 0A 16 -8,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.950 56.5-160.2-120.1 132.4 29.2 1.5 13.7 31 31 A K E -a 4 0A 17 -28,-2.0 -26,-2.6 -2,-0.4 2,-0.5 -0.937 27.5-149.2-104.6 125.4 29.0 -2.3 13.7 32 32 A V E -ac 5 59A 0 26,-2.4 28,-2.7 -2,-0.5 2,-0.7 -0.869 23.2-170.2-113.0 129.4 27.1 -3.3 10.6 33 33 A Y E -ac 6 60A 4 -28,-2.3 -26,-2.5 -2,-0.5 2,-0.7 -0.910 14.2-171.4-111.1 97.9 24.8 -6.3 9.8 34 34 A A E -ac 7 61A 0 26,-2.6 28,-1.7 -2,-0.7 2,-0.3 -0.843 9.5-159.0 -92.0 115.0 24.2 -6.3 6.1 35 35 A T E - c 0 62A 0 -28,-2.4 -25,-2.4 -2,-0.7 -26,-0.4 -0.713 9.4-172.5 -99.3 147.6 21.5 -8.8 5.3 36 36 A L E - c 0 63A 1 26,-2.5 28,-2.2 -2,-0.3 3,-0.2 -0.975 28.3-136.6-134.9 148.9 20.9 -10.4 1.9 37 37 A R S S+ 0 0 64 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.903 101.7 28.9 -69.8 -44.0 18.1 -12.6 0.6 38 38 A D > - 0 0 88 1,-0.1 3,-1.6 26,-0.1 -1,-0.3 -0.977 69.8-154.8-120.9 117.9 20.6 -14.9 -1.2 39 39 A L G > S+ 0 0 68 -2,-0.5 3,-2.6 1,-0.3 4,-0.2 0.791 88.8 77.2 -62.5 -22.9 24.1 -15.1 0.3 40 40 A K G 3 S+ 0 0 195 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.466 90.4 57.5 -68.2 3.3 25.5 -16.0 -3.1 41 41 A T G < S+ 0 0 54 -3,-1.6 4,-0.5 1,-0.1 3,-0.4 0.234 75.3 98.7-113.7 10.9 25.2 -12.4 -4.0 42 42 A Q <> + 0 0 61 -3,-2.6 4,-2.2 1,-0.2 5,-0.2 0.578 57.7 89.6 -74.9 -8.3 27.4 -11.2 -1.1 43 43 A G H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.949 84.6 49.1 -52.1 -58.2 30.4 -10.9 -3.5 44 44 A R H > S+ 0 0 161 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.864 109.8 52.5 -50.4 -44.6 29.8 -7.3 -4.4 45 45 A L H > S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.955 112.5 44.3 -59.3 -51.0 29.4 -6.3 -0.8 46 46 A W H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.863 113.0 50.2 -62.8 -40.5 32.8 -7.9 0.2 47 47 A E H X S+ 0 0 136 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.874 113.6 46.6 -65.5 -38.8 34.6 -6.5 -2.8 48 48 A A H X S+ 0 0 25 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.855 111.1 52.9 -70.7 -35.1 33.3 -3.1 -2.0 49 49 A A H <>S+ 0 0 5 -4,-2.2 5,-2.1 -5,-0.2 -2,-0.2 0.874 110.4 46.2 -66.5 -41.3 34.2 -3.6 1.6 50 50 A R H ><5S+ 0 0 164 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.851 107.5 59.2 -70.0 -33.1 37.8 -4.5 0.7 51 51 A A H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.1 38.7 -64.8 -32.2 37.8 -1.4 -1.6 52 52 A L T 3<5S- 0 0 89 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.206 111.9-125.0-100.9 11.9 37.1 0.9 1.3 53 53 A A T < 5 - 0 0 59 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.919 32.1-161.6 41.8 65.2 39.4 -1.2 3.5 54 54 A C < - 0 0 17 -5,-2.1 -1,-0.2 1,-0.1 -30,-0.2 -0.647 24.0-108.3 -77.1 128.2 36.7 -1.8 6.2 55 55 A P > - 0 0 44 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.176 44.0 -91.5 -53.6 144.9 38.3 -2.9 9.5 56 56 A P T 3 S+ 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.397 111.9 23.7 -62.1 133.4 37.7 -6.6 10.4 57 57 A G T 3 S+ 0 0 40 2,-0.4 3,-0.1 -3,-0.1 -25,-0.0 0.552 93.4 97.7 90.2 6.7 34.6 -7.1 12.4 58 58 A S S < S+ 0 0 5 -3,-1.5 -26,-2.4 1,-0.2 2,-0.4 0.550 84.2 45.7-100.1 -10.1 32.8 -3.9 11.4 59 59 A L E +c 32 0A 7 -4,-0.3 2,-0.4 -28,-0.2 -2,-0.4 -0.994 60.6 173.8-139.0 129.3 30.7 -5.7 8.8 60 60 A E E -c 33 0A 86 -28,-2.7 -26,-2.6 -2,-0.4 2,-0.4 -0.994 19.7-142.6-134.4 137.6 28.8 -9.0 9.0 61 61 A T E -c 34 0A 25 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.876 17.7-178.2-105.4 134.7 26.4 -10.5 6.4 62 62 A L E -c 35 0A 22 -28,-1.7 -26,-2.5 -2,-0.4 2,-0.6 -0.957 29.3-122.8-127.6 144.9 23.3 -12.4 7.3 63 63 A Q E +c 36 0A 91 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.794 40.1 169.5 -87.0 123.9 20.8 -14.1 5.1 64 64 A L - 0 0 7 -28,-2.2 2,-0.7 -2,-0.6 -55,-0.2 -0.942 21.5-165.1-141.6 117.9 17.4 -12.5 5.7 65 65 A D > - 0 0 31 -2,-0.4 3,-2.3 3,-0.2 7,-0.4 -0.898 6.9-160.7-103.4 104.1 14.3 -13.1 3.6 66 66 A V T 3 S+ 0 0 5 -2,-0.7 54,-0.2 1,-0.3 -1,-0.1 0.618 87.6 68.7 -60.9 -14.6 11.8 -10.4 4.5 67 67 A R T 3 S+ 0 0 89 1,-0.2 2,-0.4 53,-0.0 -1,-0.3 0.467 96.6 63.8 -82.5 0.7 9.0 -12.6 3.0 68 68 A D X> - 0 0 61 -3,-2.3 4,-2.2 1,-0.1 3,-1.2 -0.913 61.4-163.5-133.8 111.6 9.5 -15.0 5.8 69 69 A S H 3> S+ 0 0 75 -2,-0.4 4,-1.8 1,-0.3 5,-0.1 0.708 96.8 59.3 -60.2 -24.1 8.9 -14.2 9.5 70 70 A K H 3> S+ 0 0 171 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.811 106.3 46.6 -73.3 -33.6 10.9 -17.3 10.4 71 71 A S H <> S+ 0 0 14 -3,-1.2 4,-2.4 -6,-0.3 5,-0.2 0.908 111.0 53.1 -73.8 -40.7 13.9 -15.8 8.5 72 72 A V H X S+ 0 0 2 -4,-2.2 4,-1.5 -7,-0.4 -2,-0.2 0.899 111.0 45.2 -61.1 -43.5 13.4 -12.4 10.2 73 73 A A H X S+ 0 0 31 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.912 112.4 50.6 -67.4 -45.2 13.4 -14.0 13.7 74 74 A A H >X S+ 0 0 33 -4,-1.7 4,-0.9 1,-0.2 3,-0.9 0.914 109.4 50.4 -59.6 -46.8 16.4 -16.2 13.1 75 75 A A H >X S+ 0 0 5 -4,-2.4 3,-0.9 1,-0.3 4,-0.5 0.894 104.6 59.6 -59.9 -37.0 18.4 -13.2 11.8 76 76 A R H 3< S+ 0 0 87 -4,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.780 102.8 52.3 -62.3 -26.8 17.4 -11.3 14.9 77 77 A E H << S+ 0 0 131 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.707 98.1 65.1 -80.9 -22.4 19.1 -14.0 17.1 78 78 A R H << S+ 0 0 138 -4,-0.9 2,-1.8 -3,-0.9 -1,-0.2 0.616 72.5 102.9 -74.6 -14.2 22.4 -13.7 15.1 79 79 A V >< - 0 0 7 -4,-0.5 3,-2.6 -3,-0.4 -1,-0.1 -0.555 56.7-170.0 -73.2 88.1 22.8 -10.2 16.4 80 80 A T T 3 S+ 0 0 119 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.0 0.829 81.2 62.3 -50.1 -39.5 25.4 -11.0 19.0 81 81 A E T 3 S- 0 0 51 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.623 101.1-139.1 -63.9 -11.9 25.3 -7.6 20.6 82 82 A G S < S+ 0 0 66 -3,-2.6 2,-0.3 1,-0.1 -2,-0.1 0.812 72.1 82.3 56.4 34.6 21.7 -8.6 21.4 83 83 A R - 0 0 87 -4,-0.1 2,-0.4 -7,-0.0 -2,-0.2 -0.968 60.7-155.4-163.0 148.6 20.6 -5.0 20.5 84 84 A V + 0 0 4 -2,-0.3 -79,-0.2 41,-0.1 3,-0.2 -0.991 10.9 177.1-132.9 120.7 19.9 -3.0 17.3 85 85 A D S S+ 0 0 33 -81,-2.2 51,-1.4 -2,-0.4 2,-0.4 0.759 74.9 27.3 -92.8 -35.6 20.3 0.7 17.5 86 86 A V E -bd 5 136A 5 -82,-1.8 -80,-2.6 49,-0.2 2,-0.5 -0.985 64.9-169.4-133.4 120.5 19.5 1.6 13.9 87 87 A L E -bd 6 137A 0 49,-2.8 51,-2.8 -2,-0.4 2,-0.6 -0.940 6.1-163.6-109.0 130.1 17.2 -0.5 11.7 88 88 A V E -bd 7 138A 2 -82,-2.8 -80,-1.5 -2,-0.5 2,-0.9 -0.975 4.5-158.9-118.2 111.6 17.3 0.5 8.0 89 89 A C E + d 0 139A 4 49,-2.9 51,-2.6 -2,-0.6 -82,-0.1 -0.847 39.3 137.2 -92.6 103.3 14.4 -1.0 6.0 90 90 A N + 0 0 23 -2,-0.9 -1,-0.2 49,-0.2 -81,-0.2 0.670 20.6 117.5-120.0 -32.2 15.6 -0.9 2.5 91 91 A A + 0 0 18 -3,-0.2 2,-0.3 26,-0.1 -82,-0.1 -0.085 41.7 147.4 -43.6 136.0 14.7 -4.1 0.8 92 92 A G - 0 0 38 25,-0.0 2,-0.3 -83,-0.0 18,-0.1 -0.973 36.8-142.5-170.5 158.4 12.4 -3.5 -2.2 93 93 A L - 0 0 68 -2,-0.3 2,-0.2 17,-0.3 21,-0.0 -0.917 13.8-146.7-127.0 154.0 11.2 -4.5 -5.6 94 94 A G - 0 0 54 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.701 8.4-162.5-113.4 168.0 10.1 -2.4 -8.6 95 95 A L - 0 0 33 -2,-0.2 60,-0.4 57,-0.1 2,-0.4 -0.917 6.8-176.1-156.4 125.7 7.5 -3.3 -11.2 96 96 A L + 0 0 52 -2,-0.3 56,-0.2 58,-0.1 55,-0.1 -0.958 35.9 66.4-128.1 144.9 7.0 -1.7 -14.6 97 97 A G S S- 0 0 0 54,-1.5 56,-0.3 -2,-0.4 5,-0.1 -0.547 85.8 -46.3 130.4 160.8 4.4 -2.2 -17.3 98 98 A P >> - 0 0 4 0, 0.0 3,-2.5 0, 0.0 4,-0.9 -0.396 55.2-118.2 -62.4 138.6 0.6 -1.7 -17.9 99 99 A L G >4 S+ 0 0 95 1,-0.3 3,-1.1 2,-0.2 -3,-0.0 0.867 113.9 54.0 -42.7 -48.1 -1.5 -2.9 -15.0 100 100 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.0 107,-0.0 0.655 105.6 54.0 -66.9 -15.5 -3.2 -5.5 -17.2 101 101 A A G <4 S+ 0 0 18 -3,-2.5 2,-0.3 2,-0.1 -1,-0.3 0.647 86.2 99.4 -92.4 -16.4 0.1 -7.0 -18.3 102 102 A L S << S- 0 0 29 -3,-1.1 2,-0.1 -4,-0.9 -5,-0.1 -0.548 75.9-122.7 -74.9 128.6 1.4 -7.6 -14.7 103 103 A G > - 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