==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-FEB-08 3CAQ . COMPND 2 MOLECULE: 3-OXO-5-BETA-STEROID 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F FAUCHER,L CANTIN,R BRETON . 649 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.1 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 5 3 1 2 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 2 2 4 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 . 6 0 2 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 . 2 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 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 2 A D 0 0 200 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.7 -8.8 -46.7 17.0 2 3 A L + 0 0 35 4,-0.5 2,-0.3 6,-0.1 5,-0.2 0.816 360.0 158.2 91.6 96.7 -5.6 -44.5 17.5 3 4 A S - 0 0 52 3,-2.7 -1,-0.1 1,-0.1 284,-0.1 -0.820 55.9 -98.9-133.6 172.2 -2.6 -45.1 15.3 4 5 A A S S+ 0 0 52 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.884 125.8 43.1 -61.7 -38.6 0.4 -43.0 14.3 5 6 A A S S+ 0 0 102 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.772 125.8 30.3 -78.7 -27.7 -1.4 -42.1 11.0 6 7 A S + 0 0 83 1,-0.1 -3,-2.7 12,-0.0 -4,-0.5 -0.888 64.0 132.1-140.2 105.5 -4.8 -41.5 12.5 7 8 A H + 0 0 12 -2,-0.4 12,-3.1 -5,-0.2 2,-0.4 -0.088 27.1 132.2-146.4 43.7 -5.3 -40.3 16.1 8 9 A R E -A 18 0A 94 10,-0.3 -6,-0.1 11,-0.1 8,-0.0 -0.816 35.3-159.1-100.6 136.9 -7.8 -37.4 16.1 9 10 A I E -A 17 0A 29 8,-2.2 8,-2.4 -2,-0.4 -2,-0.0 -0.861 27.1 -96.2-113.5 149.4 -10.7 -37.4 18.6 10 11 A P E -A 16 0A 105 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.286 25.8-153.6 -67.6 144.7 -14.0 -35.4 18.3 11 12 A L > - 0 0 10 4,-2.5 3,-1.9 202,-0.0 202,-0.1 -0.839 31.8-111.1-110.9 151.4 -14.7 -32.0 19.9 12 13 A S T 3 S+ 0 0 57 200,-0.5 175,-0.1 -2,-0.3 201,-0.1 0.617 112.2 62.1 -62.3 -13.2 -18.3 -31.0 20.7 13 14 A D T 3 S- 0 0 49 173,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.360 122.8 -96.2 -95.0 6.1 -18.4 -28.3 18.0 14 15 A G S < S+ 0 0 72 -3,-1.9 -2,-0.1 1,-0.4 2,-0.0 0.189 93.1 106.1 103.2 -18.2 -17.8 -30.7 15.1 15 16 A N - 0 0 61 148,-0.1 -4,-2.5 -5,-0.1 -1,-0.4 -0.142 58.4-136.0 -82.9-175.7 -14.1 -30.3 14.8 16 17 A S E -A 10 0A 38 -6,-0.2 -8,-0.0 -3,-0.1 -1,-0.0 -0.966 5.9-148.9-142.6 158.9 -11.4 -32.8 15.9 17 18 A I E -A 9 0A 1 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.2 -0.993 25.7-114.2-136.0 129.8 -8.0 -32.6 17.7 18 19 A P E -A 8 0A 1 0, 0.0 -10,-0.3 0, 0.0 30,-0.0 -0.432 29.2-131.8 -60.5 125.6 -4.9 -34.8 17.4 19 20 A I S S+ 0 0 1 -12,-3.1 250,-2.3 -2,-0.2 2,-0.4 0.581 89.4 41.3 -59.5 -12.2 -4.6 -36.7 20.7 20 21 A I B +b 269 0B 0 248,-0.2 29,-0.5 -13,-0.2 2,-0.3 -0.997 68.2 167.2-136.2 142.8 -0.9 -35.8 21.0 21 22 A G - 0 0 0 248,-2.0 2,-0.6 -2,-0.4 30,-0.3 -0.929 38.0 -97.5-145.7 169.1 0.9 -32.5 20.2 22 23 A L E -c 51 0B 0 28,-2.5 30,-2.5 -2,-0.3 250,-0.2 -0.831 31.4-144.9 -96.9 118.9 4.2 -30.8 20.7 23 24 A G E -cd 52 272B 5 248,-2.1 250,-0.6 -2,-0.6 30,-0.2 -0.506 10.1-166.0 -75.8 147.4 4.4 -28.3 23.6 24 25 A T + 0 0 0 28,-1.2 2,-0.2 -2,-0.2 -1,-0.1 0.302 38.9 124.2-122.8 13.8 6.6 -25.2 22.9 25 26 A Y + 0 0 98 27,-0.1 2,-0.3 28,-0.1 33,-0.0 -0.535 28.6 158.0 -74.5 142.4 7.3 -23.5 26.2 26 27 A S - 0 0 18 31,-0.2 5,-0.1 -2,-0.2 10,-0.0 -0.934 50.3 -93.4-163.2 137.3 10.9 -23.0 27.0 27 28 A E > - 0 0 62 -2,-0.3 3,-1.0 1,-0.1 4,-0.1 -0.387 34.1-148.6 -58.6 115.0 12.8 -20.6 29.3 28 29 A P G > S+ 0 0 52 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.952 89.8 60.7 -47.6 -67.7 13.9 -17.6 27.1 29 30 A K G 3 S+ 0 0 201 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.717 118.9 30.4 -35.0 -32.9 17.1 -16.6 28.9 30 31 A S G < S+ 0 0 78 -3,-1.0 -1,-0.3 2,-0.1 -3,-0.1 0.097 96.4 94.3-122.6 24.4 18.5 -20.1 28.1 31 32 A T S < S- 0 0 30 -3,-3.0 3,-0.1 -5,-0.1 5,-0.1 -0.953 70.8-127.9-120.6 116.8 16.9 -21.2 24.8 32 33 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.290 33.5 -99.6 -61.3 139.9 18.7 -20.5 21.5 33 34 A K T 3 S+ 0 0 167 1,-0.3 26,-0.0 2,-0.1 0, 0.0 -0.340 109.8 26.7 -59.1 137.4 16.8 -18.7 18.8 34 35 A G T 3> S+ 0 0 26 -3,-0.1 4,-2.8 25,-0.0 -1,-0.3 0.222 86.2 108.7 94.3 -16.1 15.5 -21.2 16.3 35 36 A A H <> S+ 0 0 20 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 0.923 83.0 46.4 -59.1 -43.6 15.4 -24.2 18.7 36 37 A C H > S+ 0 0 2 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.939 112.1 48.6 -64.4 -49.1 11.6 -24.0 18.6 37 38 A A H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.928 113.9 47.4 -58.0 -45.6 11.3 -23.7 14.8 38 39 A T H X S+ 0 0 80 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.906 112.5 49.9 -63.0 -40.8 13.7 -26.6 14.4 39 40 A S H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.899 108.4 51.6 -66.4 -41.1 11.8 -28.7 16.9 40 41 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.881 109.3 50.5 -64.6 -36.5 8.5 -28.1 15.3 41 42 A K H X S+ 0 0 56 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 110.8 49.1 -68.7 -36.2 9.8 -29.1 11.9 42 43 A V H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 108.8 53.2 -68.3 -41.9 11.2 -32.3 13.4 43 44 A A H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-1.7 0.936 109.7 48.2 -57.6 -47.5 7.8 -33.0 15.1 44 45 A I H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.913 110.8 50.0 -60.5 -44.4 6.0 -32.7 11.8 45 46 A D H <5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.0 52.1 -61.1 -36.3 8.5 -35.0 10.0 46 47 A T H <5S- 0 0 31 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.787 129.0 -91.7 -71.2 -30.8 8.0 -37.5 12.9 47 48 A G T <5S+ 0 0 14 -4,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.311 75.4 140.0 136.6 -10.7 4.2 -37.5 12.6 48 49 A Y < + 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 -27,-0.1 -0.367 19.7 175.6 -62.3 140.3 2.9 -34.8 15.0 49 50 A R + 0 0 57 -29,-0.5 33,-2.5 1,-0.1 2,-0.4 0.201 60.7 70.4-129.4 13.0 -0.0 -32.8 13.6 50 51 A H E - e 0 82B 2 -30,-0.2 -28,-2.5 31,-0.2 2,-0.4 -0.998 55.8-175.4-135.2 130.3 -0.8 -30.7 16.7 51 52 A I E -ce 22 83B 0 31,-2.4 33,-2.0 -2,-0.4 2,-0.5 -0.993 10.8-154.1-127.2 133.4 1.4 -27.9 18.1 52 53 A D E +ce 23 84B 5 -30,-2.5 -28,-1.2 -2,-0.4 2,-0.2 -0.941 31.4 142.9-112.0 122.4 0.6 -26.0 21.4 53 54 A G - 0 0 0 31,-2.1 2,-0.3 -2,-0.5 3,-0.1 -0.761 29.9-152.7-141.4-172.1 1.9 -22.5 21.8 54 55 A A > > - 0 0 0 -2,-0.2 3,-2.2 31,-0.2 5,-0.5 -0.909 29.1-122.0-169.6 138.8 1.3 -19.0 23.1 55 56 A Y G > 5S+ 0 0 83 31,-0.5 3,-1.8 1,-0.3 5,-0.3 0.872 111.4 60.2 -53.4 -37.8 2.3 -15.5 22.3 56 57 A I G 3 5S+ 0 0 18 1,-0.3 -1,-0.3 30,-0.2 74,-0.0 0.599 87.1 73.0 -70.0 -9.1 3.7 -15.0 25.8 57 58 A Y G < 5S- 0 0 36 -3,-2.2 -1,-0.3 -30,-0.0 -31,-0.2 0.666 101.3-134.6 -76.3 -14.6 6.2 -17.9 25.3 58 59 A Q T < 5S+ 0 0 120 -3,-1.8 -2,-0.1 -4,-0.4 -3,-0.1 0.672 87.1 77.7 70.8 21.0 8.0 -15.5 23.0 59 60 A N >>< + 0 0 12 -5,-0.5 4,-1.2 2,-0.1 3,-1.1 0.167 46.6 117.4-141.3 16.5 8.5 -17.9 20.1 60 61 A E H 3> S+ 0 0 3 -5,-0.3 4,-1.8 -6,-0.3 3,-0.4 0.866 75.9 59.5 -56.9 -34.9 5.1 -18.0 18.5 61 62 A H H 3> S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.843 100.4 55.8 -62.7 -32.8 6.8 -16.7 15.3 62 63 A E H <> S+ 0 0 10 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.830 104.0 53.5 -68.7 -31.0 9.0 -19.7 15.2 63 64 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 5,-0.2 0.921 109.4 48.9 -68.6 -42.1 6.0 -22.0 15.3 64 65 A G H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.929 108.4 53.3 -61.0 -46.4 4.6 -20.1 12.3 65 66 A E H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.897 112.5 44.0 -54.9 -46.4 7.9 -20.4 10.4 66 67 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.916 116.0 46.1 -67.9 -45.5 8.1 -24.2 10.8 67 68 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.946 115.0 46.8 -63.7 -47.9 4.4 -24.7 10.0 68 69 A R H X S+ 0 0 74 -4,-3.3 4,-2.4 -5,-0.2 3,-0.2 0.906 112.0 50.5 -61.9 -40.9 4.5 -22.5 6.9 69 70 A E H X S+ 0 0 86 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.891 109.1 50.8 -64.6 -40.2 7.8 -24.0 5.6 70 71 A K H <>S+ 0 0 10 -4,-2.1 5,-1.8 2,-0.2 6,-1.2 0.744 112.1 47.7 -69.7 -23.7 6.4 -27.6 6.0 71 72 A I H ><5S+ 0 0 51 -4,-1.3 3,-0.5 -3,-0.2 -2,-0.2 0.854 110.4 51.9 -81.5 -38.2 3.3 -26.5 4.0 72 73 A A H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.888 107.8 52.6 -62.9 -39.4 5.6 -24.9 1.4 73 74 A E T 3<5S- 0 0 114 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.696 114.2-121.4 -68.5 -20.9 7.5 -28.1 1.1 74 75 A G T < 5S+ 0 0 62 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.623 76.8 126.8 87.2 13.7 4.2 -29.9 0.5 75 76 A K S > - 0 0 154 -2,-0.3 3,-1.9 -3,-0.1 4,-0.7 -0.779 37.2-105.4-111.0 160.0 -1.6 -28.9 4.0 78 79 A R G >4 S+ 0 0 30 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.891 120.5 56.9 -51.8 -43.7 -2.9 -26.2 6.4 79 80 A E G 34 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.614 99.5 60.0 -65.4 -13.3 -6.0 -28.3 7.2 80 81 A D G <4 S+ 0 0 45 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.675 95.4 77.0 -85.8 -20.7 -3.7 -31.2 8.4 81 82 A I << - 0 0 1 -3,-1.4 2,-0.6 -4,-0.7 -31,-0.2 -0.786 62.8-162.3 -99.0 132.7 -2.1 -28.9 11.1 82 83 A F E -e 50 0B 4 -33,-2.5 -31,-2.4 -2,-0.4 2,-0.4 -0.946 11.4-176.7-114.6 113.5 -3.8 -28.1 14.3 83 84 A Y E -e 51 0B 0 -2,-0.6 32,-1.9 -33,-0.2 31,-1.1 -0.940 9.7-158.6-114.9 134.7 -2.4 -25.1 16.2 84 85 A C E -ef 52 115B 1 -33,-2.0 -31,-2.1 -2,-0.4 2,-0.3 -0.923 12.1-177.3-111.5 129.9 -3.6 -23.9 19.6 85 86 A G E - f 0 116B 0 30,-3.1 32,-1.8 -2,-0.5 2,-0.4 -0.793 13.8-135.5-120.2 167.2 -3.0 -20.3 20.8 86 87 A K E - f 0 117B 5 -2,-0.3 2,-0.6 30,-0.2 -31,-0.5 -0.978 7.5-137.4-136.5 139.5 -3.8 -18.6 24.1 87 88 A L E - 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