==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-96 1LWI . COMPND 2 MOLECULE: 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.J.BENNETT,B.P.SCHLEGEL,J.M.JEZ,T.M.PENNING,M.LEWIS . 610 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.6 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 28 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 2 4 0 4 2 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 . 4 2 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 . 4 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 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 M 0 0 128 0, 0.0 2,-0.5 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 121.7 -28.7 -9.0 51.6 2 2 A D > + 0 0 118 41,-0.2 3,-0.6 1,-0.1 41,-0.1 -0.750 360.0 38.5 117.9 -76.4 -27.9 -5.5 50.0 3 3 A S G > S+ 0 0 42 -2,-0.5 3,-1.5 1,-0.2 15,-0.2 0.802 105.4 61.2 -82.6 -30.1 -24.1 -4.8 50.2 4 4 A I G 3 S+ 0 0 0 1,-0.3 15,-0.9 273,-0.2 41,-0.4 0.457 104.0 53.8 -75.2 0.1 -22.5 -8.2 49.4 5 5 A S G < S+ 0 0 28 -3,-0.6 -1,-0.3 13,-0.1 2,-0.2 0.232 82.3 113.5-113.8 9.3 -24.2 -8.1 46.1 6 6 A L < - 0 0 108 -3,-1.5 12,-2.6 11,-0.1 2,-0.2 -0.592 66.1-116.8 -80.2 147.7 -22.8 -4.7 45.1 7 7 A R E -A 17 0A 88 10,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.578 19.3-157.7-101.2 153.6 -20.4 -4.9 42.2 8 8 A V E -A 16 0A 45 8,-2.6 8,-2.9 -2,-0.2 2,-0.1 -0.856 38.7 -94.3-117.2 149.0 -16.7 -4.2 41.4 9 9 A A E -A 15 0A 60 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.378 26.4-154.5 -72.5 147.6 -15.4 -3.5 37.9 10 10 A L > - 0 0 9 4,-2.8 3,-1.7 -2,-0.1 199,-0.1 -0.835 31.6-112.4-112.2 149.4 -13.9 -6.0 35.4 11 11 A N T 3 S+ 0 0 46 -2,-0.3 172,-0.1 197,-0.3 4,-0.1 0.328 111.4 59.7 -69.2 8.3 -11.4 -4.8 32.8 12 12 A D T 3 S- 0 0 45 2,-0.2 -1,-0.3 170,-0.1 3,-0.1 0.258 124.5 -91.0-117.6 9.3 -13.9 -5.6 30.0 13 13 A G S < S+ 0 0 58 -3,-1.7 -2,-0.1 1,-0.4 2,-0.1 0.264 93.2 111.5 101.4 -13.2 -16.7 -3.3 31.0 14 14 A N - 0 0 36 145,-0.1 -4,-2.8 -5,-0.0 -1,-0.4 -0.424 56.0-138.8 -89.9 168.6 -18.6 -5.8 33.1 15 15 A F E -A 9 0A 104 -6,-0.2 -6,-0.2 -2,-0.1 -8,-0.0 -0.971 7.7-150.3-129.7 147.0 -19.0 -5.8 36.9 16 16 A I E -A 8 0A 1 -8,-2.9 -8,-2.6 -2,-0.3 30,-0.1 -0.931 27.6-106.6-121.9 134.3 -18.8 -8.7 39.4 17 17 A P E -A 7 0A 0 0, 0.0 -10,-0.3 0, 0.0 -12,-0.1 -0.368 34.5-124.6 -55.5 139.9 -20.7 -9.0 42.7 18 18 A V S S+ 0 0 17 -12,-2.6 2,-0.4 -15,-0.2 -13,-0.1 0.628 90.8 45.8 -66.4 -18.4 -18.1 -8.5 45.5 19 19 A L S S- 0 0 0 -15,-0.9 26,-0.4 -13,-0.2 27,-0.4 -0.997 73.4-157.5-131.9 126.6 -18.7 -11.8 47.4 20 20 A G E -b 264 0B 0 243,-2.6 245,-1.3 -2,-0.4 2,-0.5 -0.717 8.1-141.2-103.8 159.8 -18.9 -15.1 45.7 21 21 A F E -bc 265 47B 1 25,-2.5 27,-3.0 -2,-0.3 245,-0.2 -0.981 17.0-139.4-124.2 120.3 -20.5 -18.3 46.8 22 22 A G E - c 0 48B 10 243,-3.2 2,-0.5 -2,-0.5 245,-0.2 -0.490 3.5-151.4 -78.3 150.5 -18.8 -21.6 46.0 23 23 A T + 0 0 0 25,-1.7 2,-0.4 -2,-0.2 27,-0.2 -0.781 44.9 126.8-125.4 85.0 -20.7 -24.7 44.9 24 24 A T - 0 0 59 -2,-0.5 -2,-0.1 1,-0.2 30,-0.1 -0.930 55.7-128.4-144.5 114.1 -18.9 -27.9 45.9 25 25 A V 0 0 27 -2,-0.4 -1,-0.2 28,-0.2 28,-0.0 0.789 360.0 360.0 -32.7 -79.5 -20.8 -30.5 47.9 26 26 A P 0 0 131 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.205 360.0 360.0 -65.6 360.0 -18.9 -31.5 51.1 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 30 A A >> 0 0 59 0, 0.0 3,-2.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 122.0 -25.4 -34.9 48.6 29 31 A K H >> + 0 0 93 1,-0.3 3,-2.3 2,-0.2 4,-1.0 0.884 360.0 70.3 -45.9 -39.8 -25.7 -32.9 45.4 30 32 A D H 3> S+ 0 0 122 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.748 91.4 57.3 -50.3 -29.2 -29.3 -32.4 46.6 31 33 A E H <> S+ 0 0 101 -3,-2.9 4,-1.8 2,-0.2 -1,-0.3 0.706 94.0 67.7 -79.1 -18.2 -28.0 -30.1 49.4 32 34 A V H <>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 3,-0.8 0.937 109.6 48.1 -61.8 -49.5 -27.7 -18.1 49.8 40 42 A I H ><5S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.877 108.0 54.6 -59.3 -42.8 -29.7 -16.2 47.1 41 43 A D H 3<5S+ 0 0 78 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.745 107.1 54.4 -62.7 -23.8 -32.4 -15.2 49.6 42 44 A N T <<5S- 0 0 27 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.372 130.5 -87.3 -92.6 3.0 -29.6 -13.8 51.7 43 45 A G T < 5S+ 0 0 0 -3,-1.5 2,-0.4 1,-0.3 -41,-0.2 0.410 76.1 143.7 112.0 -5.1 -28.2 -11.5 49.1 44 46 A F < + 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -39,-0.1 -0.572 10.3 161.9 -75.0 129.2 -25.7 -13.7 47.3 45 47 A R + 0 0 28 -26,-0.4 33,-2.5 -2,-0.4 2,-0.5 0.249 53.9 77.7-127.8 9.1 -25.5 -12.9 43.5 46 48 A H E - d 0 78B 2 -27,-0.4 -25,-2.5 31,-0.2 2,-0.4 -0.958 56.8-178.1-129.1 109.1 -22.2 -14.5 42.6 47 49 A F E -cd 21 79B 0 31,-2.8 33,-2.5 -2,-0.5 2,-0.5 -0.907 9.3-159.4-113.6 132.5 -22.1 -18.2 42.2 48 50 A D E +cd 22 80B 4 -27,-3.0 -25,-1.7 -2,-0.4 2,-0.2 -0.971 26.5 143.0-117.5 119.0 -19.0 -20.1 41.4 49 51 A S - 0 0 0 31,-2.5 2,-0.3 -2,-0.5 3,-0.1 -0.671 24.6-153.5-135.3-169.4 -19.2 -23.6 39.9 50 52 A A >> - 0 0 0 31,-0.2 4,-0.6 -27,-0.2 5,-0.6 -0.973 34.3-108.8-169.5 156.4 -17.3 -25.8 37.4 51 53 A Y T >45S+ 0 0 45 31,-1.2 3,-1.5 -2,-0.3 5,-0.2 0.934 118.6 55.8 -51.2 -51.6 -17.6 -28.7 35.0 52 54 A L T 345S+ 0 0 37 30,-0.3 -1,-0.2 1,-0.2 74,-0.1 0.829 94.3 66.4 -50.2 -43.6 -15.4 -30.7 37.4 53 55 A Y T 345S- 0 0 54 -3,-0.3 -1,-0.2 1,-0.1 -28,-0.2 0.711 89.1-145.9 -57.3 -24.9 -17.8 -30.2 40.4 54 56 A E T <<5S+ 0 0 112 -3,-1.5 -3,-0.1 -4,-0.6 4,-0.1 0.857 74.9 95.3 59.5 37.2 -20.6 -32.2 38.7 55 57 A V >< + 0 0 0 -5,-0.6 4,-2.3 -32,-0.1 5,-0.2 0.256 38.1 106.4-140.3 13.1 -23.2 -30.0 40.3 56 58 A E H > S+ 0 0 11 -6,-0.3 4,-2.5 2,-0.2 5,-0.1 0.856 82.5 54.2 -64.9 -33.2 -24.0 -27.4 37.7 57 59 A E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.986 110.1 46.6 -60.7 -56.0 -27.3 -29.0 37.0 58 60 A E H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.856 113.0 50.1 -55.4 -37.1 -28.2 -28.8 40.7 59 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 107.9 53.3 -72.5 -34.5 -27.0 -25.1 40.7 60 62 A G H X S+ 0 0 1 -4,-2.5 4,-3.2 -3,-0.3 5,-0.3 0.937 106.8 51.0 -65.2 -43.1 -29.1 -24.2 37.7 61 63 A Q H X S+ 0 0 104 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.926 111.6 48.6 -60.1 -42.5 -32.3 -25.6 39.3 62 64 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.904 114.2 45.3 -63.1 -45.3 -31.6 -23.5 42.4 63 65 A I H >X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.8 0.970 114.8 46.7 -63.6 -53.0 -30.9 -20.4 40.4 64 66 A R H 3X S+ 0 0 61 -4,-3.2 4,-2.8 1,-0.3 -2,-0.2 0.773 103.4 62.9 -64.2 -23.8 -33.9 -20.8 38.1 65 67 A S H 3X S+ 0 0 24 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.3 0.902 107.6 44.8 -65.4 -38.8 -36.2 -21.6 41.1 66 68 A K H <<>S+ 0 0 15 -4,-1.2 6,-2.0 -3,-0.8 5,-1.4 0.669 110.6 52.4 -78.8 -20.5 -35.5 -18.1 42.3 67 69 A I H ><5S+ 0 0 40 -4,-1.0 3,-2.1 4,-0.2 -2,-0.2 0.939 111.8 48.3 -74.6 -50.3 -35.9 -16.5 38.8 68 70 A E H 3<5S+ 0 0 161 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.871 110.1 49.2 -54.0 -46.8 -39.3 -18.2 38.6 69 71 A D T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.341 114.6-120.7 -78.1 8.4 -40.4 -17.1 42.1 70 72 A G T < 5S+ 0 0 59 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.584 79.0 123.2 66.5 13.9 -39.3 -13.6 41.0 71 73 A T S - 0 0 140 -2,-0.3 3,-2.0 -3,-0.1 4,-0.5 -0.774 35.4-106.8-110.0 162.8 -33.7 -12.1 37.4 74 76 A R G > S+ 0 0 18 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.902 120.9 56.7 -53.6 -45.7 -31.0 -13.8 35.2 75 77 A E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.523 99.4 60.2 -64.2 -11.5 -29.2 -10.4 34.9 76 78 A D G < S+ 0 0 68 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.541 94.1 78.8 -89.9 -15.7 -29.0 -10.2 38.7 77 79 A I < - 0 0 0 -3,-1.7 2,-0.6 -4,-0.5 -31,-0.2 -0.801 62.4-159.6-100.2 136.0 -27.0 -13.4 38.9 78 80 A F E -d 46 0B 0 -33,-2.5 -31,-2.8 -2,-0.4 2,-0.5 -0.983 16.9-170.7-113.8 114.3 -23.3 -13.7 38.1 79 81 A Y E -d 47 0B 0 -2,-0.6 31,-1.6 -33,-0.2 32,-1.5 -0.950 4.2-164.6-114.2 125.4 -22.5 -17.3 37.3 80 82 A T E +de 48 111B 1 -33,-2.5 -31,-2.5 -2,-0.5 2,-0.3 -0.865 10.0 174.0-109.2 137.1 -18.9 -18.6 36.9 81 83 A S E - e 0 112B 0 30,-2.3 32,-1.7 -2,-0.4 2,-0.4 -0.906 19.3-134.9-132.8 164.0 -17.9 -21.9 35.3 82 84 A K E - e 0 113B 0 -2,-0.3 -31,-1.2 30,-0.2 -30,-0.3 -0.981 15.3-120.6-129.9 139.9 -14.5 -23.3 34.5 83 85 A L E - 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