==== 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 DEHYDROGENASE 28-JUN-96 1FDS . COMPND 2 MOLECULE: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.HOUSSET,R.BRETON,C.MAZZA,J.-C.FONTECILLA-CAMPS . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.8 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 3 0 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 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 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 57 0, 0.0 28,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-172.1 24.7 -3.7 12.9 2 2 A R + 0 0 163 26,-0.3 2,-0.6 28,-0.1 28,-0.2 0.886 360.0 67.1 -76.5 -44.6 27.4 -2.2 10.8 3 3 A T E S-a 30 0A 44 26,-3.1 28,-2.8 82,-0.1 2,-0.6 -0.709 72.6-149.1 -83.4 115.2 30.4 -1.2 13.0 4 4 A V E -a 31 0A 0 -2,-0.6 82,-2.4 26,-0.2 81,-2.1 -0.766 16.8-174.5 -87.9 120.6 32.0 -4.3 14.3 5 5 A V E -ab 32 86A 0 26,-3.0 28,-3.2 -2,-0.6 2,-0.5 -0.927 10.3-167.7-116.9 133.8 33.6 -3.9 17.7 6 6 A L E -ab 33 87A 0 80,-2.5 82,-3.3 -2,-0.4 2,-0.4 -0.990 11.1-174.7-122.3 124.6 35.7 -6.5 19.5 7 7 A I E -ab 34 88A 0 26,-2.5 28,-2.9 -2,-0.5 3,-0.3 -0.970 13.0-145.3-122.0 134.5 36.4 -5.8 23.2 8 8 A T S S+ 0 0 4 80,-2.2 28,-0.1 -2,-0.4 82,-0.1 -0.688 75.2 24.7 -97.6 151.7 38.6 -7.8 25.5 9 9 A G + 0 0 23 -2,-0.3 3,-0.5 55,-0.2 6,-0.4 0.928 65.1 155.2 66.7 55.3 38.0 -8.3 29.2 10 10 A C + 0 0 0 25,-2.7 26,-0.2 -3,-0.3 -1,-0.1 0.274 39.9 99.2 -96.8 14.1 34.2 -7.8 29.4 11 11 A S S S- 0 0 31 24,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.785 99.0 -20.8 -72.5 -22.5 33.4 -9.8 32.5 12 12 A S S >> S+ 0 0 55 -3,-0.5 4,-1.0 32,-0.1 3,-0.6 -0.959 104.6 29.2-166.2 177.8 33.3 -6.7 34.7 13 13 A G H 3> S- 0 0 9 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.188 113.9 -11.4 64.4-149.0 34.4 -3.1 34.9 14 14 A I H 3> S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.883 134.1 53.9 -56.9 -43.6 35.0 -0.9 32.0 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -5,-0.2 0.907 109.8 48.2 -60.2 -42.5 34.9 -3.6 29.4 16 16 A L H X S+ 0 0 5 -4,-1.0 4,-2.0 -7,-0.3 5,-0.2 0.954 115.2 44.4 -62.8 -50.9 31.5 -4.7 30.6 17 17 A H H X S+ 0 0 43 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 113.9 49.3 -61.6 -42.0 30.1 -1.2 30.7 18 18 A L H X S+ 0 0 2 -4,-3.2 4,-2.6 -5,-0.2 5,-0.3 0.932 108.2 53.7 -64.3 -45.3 31.6 -0.3 27.3 19 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.927 114.9 39.8 -55.5 -47.3 30.2 -3.5 25.7 20 20 A V H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.864 111.8 57.1 -74.2 -33.8 26.6 -2.8 26.8 21 21 A R H < S+ 0 0 55 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.932 113.9 39.7 -59.3 -45.2 26.9 0.9 26.1 22 22 A L H >< S+ 0 0 1 -4,-2.6 3,-1.3 2,-0.2 8,-0.4 0.942 115.8 49.6 -70.3 -44.7 27.8 0.2 22.5 23 23 A A H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.850 115.4 44.3 -65.4 -32.1 25.3 -2.7 22.0 24 24 A S T 3< S+ 0 0 28 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.368 79.7 137.7 -93.8 3.1 22.5 -0.6 23.4 25 25 A D X - 0 0 23 -3,-1.3 3,-2.4 -4,-0.2 5,-0.2 -0.280 61.6-126.9 -52.2 132.0 23.3 2.6 21.5 26 26 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.790 107.9 62.0 -52.2 -31.6 20.1 4.1 20.2 27 27 A S T 3 S- 0 0 69 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.713 93.0-145.3 -68.0 -21.2 21.6 4.2 16.6 28 28 A Q < + 0 0 130 -3,-2.4 -26,-0.3 -6,-0.2 -1,-0.1 0.835 58.6 130.9 56.3 33.5 21.9 0.4 16.6 29 29 A S + 0 0 41 -28,-0.2 -26,-3.1 -7,-0.1 2,-0.4 0.545 46.1 79.8 -94.1 -4.7 25.0 0.9 14.6 30 30 A F E -a 3 0A 15 -8,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.840 52.2-167.1-112.4 140.1 27.3 -1.4 16.6 31 31 A K E -a 4 0A 14 -28,-2.8 -26,-3.0 -2,-0.4 2,-0.5 -0.992 24.7-157.7-114.8 122.7 27.7 -5.1 16.6 32 32 A V E -ac 5 59A 0 26,-2.8 28,-2.4 -2,-0.5 2,-0.8 -0.904 19.7-164.5-114.1 125.4 29.8 -6.0 19.7 33 33 A Y E -ac 6 60A 0 -28,-3.2 -26,-2.5 -2,-0.5 2,-0.7 -0.927 17.9-164.4-101.0 106.3 31.8 -9.1 20.3 34 34 A A E -ac 7 61A 0 26,-3.0 28,-1.7 -2,-0.8 2,-0.3 -0.864 9.0-159.3 -92.7 118.9 32.4 -9.0 24.0 35 35 A T E - c 0 62A 0 -28,-2.9 -25,-2.7 -2,-0.7 2,-0.3 -0.738 11.7-176.2-106.8 150.6 35.2 -11.4 24.9 36 36 A L E - c 0 63A 0 26,-1.9 28,-2.7 -2,-0.3 3,-0.2 -0.977 32.2-130.9-138.7 151.3 36.0 -12.9 28.3 37 37 A R S S+ 0 0 127 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.906 102.7 25.6 -68.1 -43.4 38.8 -15.2 29.6 38 38 A D > - 0 0 63 1,-0.1 3,-2.0 25,-0.1 -1,-0.3 -0.975 69.2-151.2-125.3 119.0 36.3 -17.6 31.1 39 39 A L G > S+ 0 0 54 -2,-0.5 3,-2.1 1,-0.3 4,-0.1 0.755 90.4 76.2 -60.6 -21.5 32.7 -17.9 29.8 40 40 A K G 3 S+ 0 0 193 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.653 90.8 57.5 -64.5 -10.7 31.4 -18.8 33.3 41 41 A T G X S+ 0 0 51 -3,-2.0 3,-0.6 1,-0.2 4,-0.4 0.359 76.6 98.3 -99.4 6.9 31.7 -15.2 34.2 42 42 A Q T <> + 0 0 53 -3,-2.1 4,-2.0 1,-0.2 5,-0.2 0.521 54.4 91.1 -72.7 -8.4 29.4 -13.9 31.5 43 43 A G H 3> S+ 0 0 46 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.914 83.6 50.7 -54.1 -48.7 26.4 -13.6 33.7 44 44 A R H <> S+ 0 0 125 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.886 108.3 53.5 -60.9 -36.4 26.9 -10.0 34.7 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.935 111.7 44.9 -62.6 -47.6 27.3 -8.9 31.1 46 46 A W H X S+ 0 0 101 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.837 111.2 52.4 -67.6 -34.1 24.0 -10.6 30.1 47 47 A E H X S+ 0 0 142 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.933 112.7 45.7 -66.2 -42.0 22.2 -9.1 33.1 48 48 A A H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 111.5 52.3 -65.6 -42.7 23.5 -5.7 32.1 49 49 A A H <>S+ 0 0 5 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.890 110.6 47.5 -60.0 -42.4 22.6 -6.2 28.5 50 50 A R H ><5S+ 0 0 172 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.927 108.5 54.9 -66.5 -41.8 19.0 -7.2 29.4 51 51 A A H 3<5S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.7 41.5 -60.8 -33.3 18.7 -4.1 31.8 52 52 A L T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.297 111.0-124.6 -95.1 4.0 19.7 -1.8 28.9 53 53 A A T < 5 - 0 0 60 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.888 31.8-164.9 51.5 48.9 17.5 -3.8 26.5 54 54 A C < - 0 0 18 -5,-2.5 -1,-0.2 -6,-0.1 -30,-0.2 -0.443 28.7-108.6 -62.1 127.2 20.3 -4.5 23.9 55 55 A P > - 0 0 38 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.228 42.9 -87.5 -59.3 143.3 18.6 -5.7 20.8 56 56 A P T 3 S+ 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.302 115.5 19.1 -54.3 130.4 19.0 -9.4 20.0 57 57 A G T 3 S+ 0 0 51 2,-0.4 3,-0.1 -3,-0.1 -25,-0.1 0.432 93.9 102.5 89.4 -1.7 22.2 -9.9 18.0 58 58 A S S < S+ 0 0 11 -3,-2.3 -26,-2.8 1,-0.2 2,-0.4 0.702 86.3 38.7 -84.6 -14.4 23.8 -6.6 19.0 59 59 A L E +c 32 0A 9 -4,-0.4 -2,-0.4 -28,-0.2 2,-0.3 -0.998 62.1 174.1-139.7 132.7 26.0 -8.5 21.4 60 60 A E E -c 33 0A 69 -28,-2.4 -26,-3.0 -2,-0.4 2,-0.4 -0.980 21.3-139.5-134.9 144.6 27.8 -11.8 21.3 61 61 A T E -c 34 0A 29 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.850 19.1-178.3-106.0 144.6 30.2 -13.3 23.8 62 62 A L E -c 35 0A 15 -28,-1.7 -26,-1.9 -2,-0.4 2,-0.4 -0.972 30.0-119.4-135.6 148.6 33.3 -15.2 22.8 63 63 A Q E +c 36 0A 103 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.762 40.6 168.6 -88.9 132.4 35.9 -16.9 25.0 64 64 A L - 0 0 6 -28,-2.7 2,-0.7 -2,-0.4 -55,-0.2 -0.889 21.1-166.5-150.9 114.2 39.3 -15.2 24.4 65 65 A D > - 0 0 53 -2,-0.3 3,-2.4 3,-0.2 7,-0.4 -0.921 8.8-159.0-103.1 106.4 42.3 -15.8 26.6 66 66 A V T 3 S+ 0 0 9 -2,-0.7 54,-0.2 1,-0.3 -1,-0.1 0.587 88.5 69.3 -63.4 -11.3 44.9 -13.1 25.6 67 67 A R T 3 S+ 0 0 96 1,-0.2 2,-0.5 53,-0.1 -1,-0.3 0.623 96.9 62.3 -80.2 -8.5 47.6 -15.3 27.1 68 68 A D X> - 0 0 66 -3,-2.4 4,-2.2 1,-0.1 3,-0.6 -0.924 62.4-162.4-128.7 112.8 47.1 -17.7 24.2 69 69 A S H 3> S+ 0 0 76 -2,-0.5 4,-2.8 1,-0.3 5,-0.1 0.761 95.9 57.6 -60.4 -28.2 47.6 -16.9 20.6 70 70 A K H 3> S+ 0 0 162 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.887 107.4 47.6 -68.9 -40.2 45.5 -19.9 19.6 71 71 A S H <> S+ 0 0 21 -3,-0.6 4,-2.3 -6,-0.3 -2,-0.2 0.913 112.2 50.1 -65.7 -41.1 42.6 -18.5 21.6 72 72 A V H X S+ 0 0 3 -4,-2.2 4,-2.0 -7,-0.4 -2,-0.2 0.946 112.2 47.4 -61.7 -47.1 43.2 -15.1 19.9 73 73 A A H X S+ 0 0 41 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.889 111.7 50.6 -61.5 -41.7 43.3 -16.8 16.5 74 74 A A H X S+ 0 0 44 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.863 109.1 49.7 -65.7 -39.5 40.1 -18.8 17.2 75 75 A A H >< S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.916 107.5 55.2 -66.8 -40.1 38.1 -15.7 18.4 76 76 A R H >< S+ 0 0 117 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.855 105.1 53.3 -59.5 -37.1 39.1 -13.8 15.3 77 77 A E H 3< S+ 0 0 156 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.795 100.4 62.1 -67.2 -30.8 37.7 -16.7 13.2 78 78 A R T << S+ 0 0 176 -4,-1.1 2,-1.5 -3,-0.6 -1,-0.2 0.553 74.1 102.6 -71.8 -12.1 34.4 -16.3 15.1 79 79 A V X - 0 0 8 -3,-1.0 3,-2.0 -4,-0.5 -1,-0.1 -0.642 57.7-168.2 -76.7 94.1 33.9 -12.8 13.8 80 80 A T T 3 S+ 0 0 107 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.0 0.809 79.3 64.8 -55.5 -33.7 31.3 -13.6 11.1 81 81 A E T 3 S- 0 0 51 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.617 102.5-132.5 -67.5 -12.9 31.5 -10.2 9.4 82 82 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 -6,-0.1 -2,-0.1 0.696 76.6 69.6 69.9 16.4 35.1 -11.1 8.6 83 83 A R - 0 0 41 -4,-0.0 2,-0.5 -7,-0.0 -2,-0.2 -0.979 64.7-146.2-159.3 155.0 36.3 -7.7 9.8 84 84 A V - 0 0 15 -2,-0.3 -79,-0.2 41,-0.1 3,-0.2 -0.998 11.0-177.5-127.5 119.0 36.8 -5.7 13.0 85 85 A D S S+ 0 0 39 -81,-2.1 51,-2.1 -2,-0.5 2,-0.4 0.834 77.2 26.0 -83.5 -38.7 36.2 -2.0 12.7 86 86 A V E -bd 5 136A 3 -82,-2.4 -80,-2.5 49,-0.2 2,-0.5 -0.992 66.8-167.4-131.4 123.0 37.1 -1.1 16.3 87 87 A L E -bd 6 137A 0 49,-2.7 51,-2.8 -2,-0.4 2,-0.7 -0.947 6.0-162.7-109.9 124.6 39.4 -3.2 18.5 88 88 A V E -bd 7 138A 1 -82,-3.3 -80,-2.2 -2,-0.5 2,-1.2 -0.926 3.6-161.2-113.3 108.6 39.3 -2.4 22.2 89 89 A C E + d 0 139A 5 49,-2.9 51,-2.4 -2,-0.7 -82,-0.1 -0.766 39.7 135.7 -90.4 97.1 42.3 -3.7 24.1 90 90 A N + 0 0 21 -2,-1.2 -1,-0.2 49,-0.2 -81,-0.1 0.611 19.0 120.7-117.9 -27.4 41.0 -3.6 27.6 91 91 A A + 0 0 20 -3,-0.3 2,-0.3 22,-0.1 -82,-0.1 -0.219 41.4 158.0 -45.1 128.9 41.9 -6.9 29.3 92 92 A G - 0 0 44 -83,-0.1 2,-0.3 2,-0.0 18,-0.1 -0.992 31.8-153.6-160.3 151.3 44.1 -6.0 32.3 93 93 A L - 0 0 66 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.945 13.1-146.8-124.7 147.8 45.3 -7.3 35.6 94 94 A G - 0 0 31 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.701 8.3-168.5-110.2 164.0 46.4 -5.3 38.7 95 95 A L - 0 0 28 -2,-0.3 60,-0.6 97,-0.1 2,-0.4 -0.895 7.6-178.0-155.8 120.0 49.1 -6.2 41.2 96 96 A L + 0 0 33 -2,-0.3 97,-0.2 97,-0.1 56,-0.2 -0.980 32.9 71.2-126.9 135.4 49.5 -4.3 44.5 97 97 A G S S- 0 0 3 54,-2.3 56,-0.3 -2,-0.4 5,-0.1 -0.761 84.6 -44.2 145.6 167.6 52.1 -4.9 47.2 98 98 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.438 57.8-122.3 -60.4 138.1 55.8 -4.5 48.1 99 99 A L G > S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 104,-0.0 0.888 110.4 54.0 -52.0 -45.9 57.8 -5.7 45.1 100 100 A E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.0 103,-0.0 0.624 103.6 58.2 -66.5 -12.2 59.7 -8.4 47.2 101 101 A A G < S+ 0 0 19 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.490 85.7 99.2 -93.8 -6.6 56.4 -9.8 48.3 102 102 A L S < S- 0 0 33 -3,-1.7 2,-0.1 -4,-0.5 -5,-0.1 -0.655 76.6-120.3 -86.7 133.1 55.1 -10.5 44.8 103 103 A G > - 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