==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUL-08 3DOP . COMPND 2 MOLECULE: 3-OXO-5-BETA-STEROID 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DI COSTANZO,J.E.DRURY,T.M.PENNING,D.W.CHRISTIANSON . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 64.3 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 . 4 0.6 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 . 33 5.1 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 . 176 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 0 0 0 0 6 2 2 2 2 4 0 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 2,-0.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -47.1 -6.2 3.4 14.1 2 3 A L + 0 0 34 5,-0.1 2,-0.3 3,-0.0 5,-0.2 -0.669 360.0 173.6 -83.6 130.7 -5.6 0.6 11.6 3 4 A S - 0 0 49 3,-2.0 3,-0.4 -2,-0.4 284,-0.1 -0.875 46.6-106.5-132.8 165.6 -8.8 -1.3 10.6 4 5 A A S S+ 0 0 48 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.874 123.3 43.4 -58.4 -38.4 -9.7 -3.9 8.0 5 6 A A S S+ 0 0 98 1,-0.2 -1,-0.2 -3,-0.0 2,-0.2 0.657 127.6 26.4 -82.9 -17.2 -11.4 -1.3 5.9 6 7 A S + 0 0 80 -3,-0.4 -3,-2.0 1,-0.1 -1,-0.2 -0.729 63.2 132.7-152.5 99.0 -8.7 1.3 6.3 7 8 A H + 0 0 7 -2,-0.2 12,-2.8 -3,-0.2 2,-0.4 -0.074 28.0 136.1-138.2 37.0 -5.0 0.5 6.9 8 9 A R E -A 18 0A 92 10,-0.3 8,-0.0 11,-0.1 -2,-0.0 -0.715 35.8-157.1 -88.1 134.5 -3.0 2.6 4.5 9 10 A I E -A 17 0A 29 8,-2.5 8,-2.7 -2,-0.4 -2,-0.0 -0.898 25.4 -97.0-113.8 144.9 0.1 4.3 5.8 10 11 A P E -A 16 0A 106 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.183 27.0-154.0 -59.4 142.5 1.8 7.4 4.3 11 12 A L > - 0 0 10 4,-2.8 3,-1.7 202,-0.1 202,-0.1 -0.817 32.5-109.2-110.4 154.4 4.8 7.3 2.0 12 13 A S T 3 S+ 0 0 48 200,-0.5 201,-0.1 -2,-0.3 4,-0.1 0.636 113.3 62.3 -62.4 -13.1 7.1 10.3 1.8 13 14 A D T 3 S- 0 0 34 2,-0.0 -1,-0.3 174,-0.0 3,-0.1 0.270 123.0 -96.2 -96.3 11.7 6.0 11.2 -1.7 14 15 A G S < S+ 0 0 75 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.334 94.0 108.7 93.8 -9.5 2.4 11.9 -0.7 15 16 A N - 0 0 46 148,-0.1 -4,-2.8 99,-0.0 -1,-0.3 -0.274 58.0-137.3 -88.7-177.7 1.1 8.5 -1.7 16 17 A S E -A 10 0A 40 -6,-0.3 -8,-0.1 -3,-0.1 -4,-0.0 -0.962 5.5-149.6-141.4 157.9 0.1 5.7 0.7 17 18 A I E -A 9 0A 1 -8,-2.7 -8,-2.5 -2,-0.3 33,-0.1 -0.989 26.4-113.3-135.5 129.1 0.6 2.0 1.1 18 19 A P E -A 8 0A 0 0, 0.0 -10,-0.3 0, 0.0 30,-0.0 -0.386 27.3-133.6 -58.1 128.5 -1.7 -0.7 2.6 19 20 A I S S+ 0 0 2 -12,-2.8 250,-2.8 249,-0.1 2,-0.4 0.647 90.6 43.5 -62.7 -17.2 0.1 -2.0 5.7 20 21 A I B +b 269 0B 0 248,-0.2 29,-0.5 -13,-0.1 2,-0.3 -0.980 69.9 168.4-128.1 143.8 -0.7 -5.6 4.7 21 22 A G - 0 0 0 248,-2.1 2,-0.6 -2,-0.4 30,-0.3 -0.950 37.1-101.8-146.7 165.5 -0.4 -7.1 1.2 22 23 A L E -c 51 0B 0 28,-2.4 30,-2.9 -2,-0.3 250,-0.2 -0.827 29.4-144.9 -96.0 120.3 -0.4 -10.5 -0.5 23 24 A G E -cd 52 272B 5 248,-1.7 250,-0.6 -2,-0.6 30,-0.2 -0.550 11.7-167.7 -77.4 149.5 2.9 -11.9 -1.4 24 25 A T + 0 0 0 28,-1.0 2,-0.3 -2,-0.2 -1,-0.1 0.275 38.5 124.0-126.6 12.7 2.8 -13.8 -4.7 25 26 A Y + 0 0 90 27,-0.1 2,-0.3 28,-0.1 -2,-0.1 -0.594 30.2 163.3 -76.7 136.6 6.0 -15.7 -5.0 26 27 A S - 0 0 14 -2,-0.3 5,-0.1 31,-0.3 10,-0.0 -0.956 48.6 -94.2-154.8 131.9 5.5 -19.5 -5.5 27 28 A E > - 0 0 46 -2,-0.3 3,-0.9 3,-0.1 30,-0.0 -0.245 35.8-141.7 -48.5 113.9 7.9 -22.2 -6.7 28 29 A P G > S+ 0 0 50 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.870 94.9 48.7 -46.5 -51.4 7.0 -22.5 -10.4 29 30 A K G 3 S+ 0 0 171 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.750 116.3 41.2 -67.9 -25.2 7.4 -26.3 -10.7 30 31 A S G < S+ 0 0 75 -3,-0.9 -1,-0.2 2,-0.1 -3,-0.1 -0.047 97.3 89.4-114.0 33.3 5.2 -27.1 -7.6 31 32 A T S < S- 0 0 28 -3,-1.1 3,-0.1 -5,-0.1 5,-0.1 -0.975 74.3-125.1-133.0 119.7 2.4 -24.5 -8.2 32 33 A P > - 0 0 97 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.281 36.1-103.1 -60.0 145.1 -0.8 -25.2 -10.2 33 34 A K T 3 S+ 0 0 186 1,-0.2 26,-0.0 2,-0.1 0, 0.0 -0.442 108.9 27.3 -67.4 143.1 -1.4 -22.7 -13.0 34 35 A G T 3> S+ 0 0 27 -2,-0.1 4,-2.4 -3,-0.1 -1,-0.2 0.314 88.5 110.2 86.9 -9.5 -4.1 -20.2 -12.0 35 36 A A H <> S+ 0 0 20 -3,-1.6 4,-2.2 2,-0.2 5,-0.1 0.883 78.5 47.6 -66.1 -40.1 -3.3 -20.5 -8.3 36 37 A C H > S+ 0 0 2 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 112.6 49.3 -67.0 -43.6 -1.8 -17.0 -8.1 37 38 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.933 112.1 47.9 -61.0 -46.7 -4.8 -15.5 -9.9 38 39 A T H X S+ 0 0 78 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 113.7 47.7 -59.7 -46.1 -7.3 -17.3 -7.7 39 40 A S H X S+ 0 0 4 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.891 109.5 51.1 -64.1 -42.9 -5.5 -16.2 -4.5 40 41 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.918 112.5 48.6 -61.5 -41.3 -5.2 -12.6 -5.6 41 42 A K H X S+ 0 0 47 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.916 113.6 45.6 -64.4 -42.0 -8.9 -12.7 -6.2 42 43 A V H X S+ 0 0 24 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 111.1 53.9 -66.5 -42.1 -9.6 -14.3 -2.8 43 44 A A H X>S+ 0 0 0 -4,-3.3 5,-2.5 1,-0.2 4,-1.9 0.947 109.3 47.4 -56.9 -50.1 -7.3 -11.8 -1.2 44 45 A I H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 111.5 50.2 -60.8 -41.3 -9.1 -8.8 -2.7 45 46 A D H <5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.8 52.6 -63.7 -36.3 -12.5 -10.3 -1.7 46 47 A T H <5S- 0 0 28 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.834 131.1 -91.3 -67.9 -33.8 -11.1 -10.7 1.9 47 48 A G T <5S+ 0 0 14 -4,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.370 75.8 141.5 137.9 -4.5 -10.0 -7.1 2.1 48 49 A Y < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -27,-0.1 -0.446 18.2 174.3 -66.4 140.7 -6.4 -7.0 0.8 49 50 A R + 0 0 55 -29,-0.5 33,-2.2 -2,-0.1 2,-0.4 0.213 60.6 71.2-129.7 10.7 -5.8 -3.9 -1.2 50 51 A H E - e 0 82B 2 -30,-0.2 -28,-2.4 31,-0.2 2,-0.4 -0.997 56.4-175.6-133.2 129.9 -2.0 -4.4 -1.7 51 52 A I E -ce 22 83B 0 31,-2.9 33,-2.2 -2,-0.4 2,-0.5 -0.997 9.4-157.2-128.7 128.1 -0.4 -7.1 -3.9 52 53 A D E +ce 23 84B 4 -30,-2.9 -28,-1.0 -2,-0.4 2,-0.2 -0.925 31.0 138.8-108.3 125.6 3.4 -7.7 -4.1 53 54 A G - 0 0 0 31,-2.5 2,-0.3 -2,-0.5 3,-0.1 -0.791 31.9-148.2-147.3-170.3 4.8 -9.4 -7.1 54 55 A A > > - 0 0 0 -2,-0.2 3,-2.3 31,-0.2 5,-0.5 -0.919 28.5-120.8-168.4 141.2 7.6 -9.5 -9.7 55 56 A Y G > 5S+ 0 0 89 31,-0.5 3,-1.9 1,-0.3 5,-0.3 0.871 112.8 59.3 -53.3 -39.2 8.0 -10.4 -13.3 56 57 A I G 3 5S+ 0 0 24 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.567 86.3 75.0 -70.5 -6.5 10.6 -13.1 -12.4 57 58 A Y G < 5S- 0 0 34 -3,-2.3 -1,-0.3 -30,-0.0 -31,-0.3 0.620 100.5-136.0 -76.7 -11.7 8.0 -14.8 -10.2 58 59 A Q T < 5S+ 0 0 126 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.577 86.2 80.8 68.4 14.2 6.6 -16.0 -13.6 59 60 A N >>< + 0 0 11 -5,-0.5 4,-1.8 2,-0.1 3,-0.7 0.138 45.4 115.9-132.7 18.9 3.0 -15.3 -12.6 60 61 A E H 3> S+ 0 0 2 -5,-0.3 4,-2.0 1,-0.3 5,-0.1 0.788 76.8 58.3 -62.2 -24.9 2.7 -11.6 -13.1 61 62 A H H 3> S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.856 104.7 50.5 -72.1 -32.4 0.2 -12.2 -15.9 62 63 A E H <> S+ 0 0 16 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.870 107.9 53.0 -70.4 -36.9 -2.0 -14.1 -13.3 63 64 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.940 111.0 46.3 -61.9 -47.8 -1.7 -11.1 -10.9 64 65 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.884 108.3 56.3 -62.4 -39.7 -2.9 -8.8 -13.6 65 66 A E H X S+ 0 0 86 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.899 111.1 44.3 -59.1 -41.6 -5.8 -11.1 -14.6 66 67 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.935 113.6 47.7 -71.0 -47.7 -7.1 -11.1 -11.1 67 68 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.932 113.1 49.3 -60.0 -45.5 -6.8 -7.3 -10.5 68 69 A R H X S+ 0 0 74 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.887 110.2 50.3 -63.4 -38.5 -8.4 -6.6 -13.8 69 70 A E H X S+ 0 0 79 -4,-1.7 4,-2.4 -5,-0.2 6,-0.2 0.915 111.0 48.9 -66.1 -41.8 -11.3 -8.9 -13.1 70 71 A K H <>S+ 0 0 12 -4,-2.3 5,-2.0 2,-0.2 6,-1.2 0.838 115.4 44.4 -66.5 -31.7 -11.9 -7.4 -9.7 71 72 A I H ><5S+ 0 0 47 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.915 110.5 56.2 -75.7 -42.9 -11.8 -3.9 -11.3 72 73 A A H 3<5S+ 0 0 87 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.891 109.3 44.6 -55.5 -44.2 -14.1 -5.1 -14.1 73 74 A E T 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.525 116.9-112.5 -81.3 -4.4 -16.8 -6.3 -11.7 74 75 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 2,-0.3 -2,-0.1 0.649 78.5 129.5 85.1 15.4 -16.6 -3.2 -9.7 75 76 A K S > - 0 0 133 -2,-0.3 3,-1.3 -3,-0.1 4,-0.6 -0.670 39.0-106.0 -98.4 162.1 -11.3 0.8 -8.7 78 79 A R G >4 S+ 0 0 39 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.916 121.3 58.9 -54.4 -42.0 -7.7 0.8 -10.0 79 80 A E G 34 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.743 98.5 58.1 -60.7 -25.0 -6.9 3.5 -7.5 80 81 A D G <4 S+ 0 0 42 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.617 95.3 80.1 -80.9 -12.2 -8.0 1.3 -4.6 81 82 A I << - 0 0 0 -3,-1.7 2,-0.6 -4,-0.6 -31,-0.2 -0.797 62.5-160.8-100.8 138.5 -5.4 -1.3 -5.6 82 83 A F E -e 50 0B 4 -33,-2.2 -31,-2.9 -2,-0.4 2,-0.5 -0.951 12.7-178.0-119.0 110.3 -1.7 -1.1 -4.7 83 84 A Y E -e 51 0B 0 -2,-0.6 32,-1.9 -33,-0.2 31,-1.4 -0.932 9.9-160.1-113.8 132.7 0.6 -3.2 -6.8 84 85 A C E -ef 52 115B 0 -33,-2.2 -31,-2.5 -2,-0.5 2,-0.2 -0.940 10.7-176.9-112.0 123.7 4.3 -3.5 -6.3 85 86 A G E - f 0 116B 0 30,-2.8 32,-1.8 -2,-0.5 2,-0.4 -0.665 14.2-135.5-110.1 170.4 6.6 -4.7 -9.2 86 87 A K E - f 0 117B 6 -2,-0.2 2,-0.8 30,-0.2 -31,-0.5 -0.986 7.5-136.9-137.9 142.4 10.4 -5.3 -9.1 87 88 A L E - f 0 118B 0 30,-3.2 32,-1.9 -2,-0.4 33,-0.6 -0.807 32.8-141.8 -95.0 105.3 13.4 -4.6 -11.4 88 89 A W > - 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