==== 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 16-JAN-98 1FDW . COMPND 2 MOLECULE: 17-BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAZZA,R.BRETON,D.HOUSSET,J.-C.FONTECILLA-CAMPS . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.3 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 40.9 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 0 1 1 0 0 0 2 4 0 0 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 1 1 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 67 0, 0.0 28,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-155.9 25.4 -3.4 12.8 2 2 A R + 0 0 160 26,-0.3 2,-0.2 1,-0.1 83,-0.2 0.997 360.0 70.5 -71.8 -86.1 28.4 -1.7 11.2 3 3 A T E S-a 30 0A 39 26,-1.7 28,-2.1 1,-0.1 2,-0.7 -0.282 72.5-148.4 -49.1 107.1 31.4 -0.7 13.4 4 4 A V E -a 31 0A 0 -2,-0.2 82,-1.7 26,-0.2 2,-0.3 -0.713 20.6-174.3 -83.5 113.1 32.8 -4.0 14.4 5 5 A V E -ab 32 86A 0 26,-1.7 28,-1.8 -2,-0.7 2,-0.4 -0.833 18.4-169.4-113.6 143.4 34.3 -3.8 17.8 6 6 A L E -ab 33 87A 0 80,-1.5 82,-1.6 -2,-0.3 2,-0.3 -0.878 12.8-172.1-133.8 100.0 36.4 -6.2 19.9 7 7 A I E -ab 34 88A 0 26,-1.4 28,-2.0 -2,-0.4 2,-0.3 -0.694 11.9-141.6 -95.1 143.3 36.9 -5.3 23.5 8 8 A T E S+a 35 0A 5 80,-1.5 28,-0.1 -2,-0.3 26,-0.0 -0.791 72.2 17.4-108.7 150.7 39.2 -7.2 25.9 9 9 A G + 0 0 27 26,-0.5 6,-0.3 -2,-0.3 3,-0.3 0.977 66.4 161.2 59.2 67.3 38.7 -7.9 29.6 10 10 A C + 0 0 0 25,-1.9 26,-0.1 -3,-0.2 -1,-0.1 -0.020 40.8 98.1-105.9 32.1 35.0 -7.3 29.9 11 11 A S S S- 0 0 43 24,-0.2 2,-0.3 33,-0.1 -1,-0.2 0.344 98.2 -24.2 -97.8 9.1 34.1 -9.1 33.1 12 12 A S S > S+ 0 0 58 -3,-0.3 4,-2.0 32,-0.1 5,-0.3 -0.961 105.1 41.4 176.5-163.2 34.2 -6.0 35.3 13 13 A G H > S- 0 0 14 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.098 115.1 -24.1 37.2-140.1 35.6 -2.5 35.6 14 14 A I H > S+ 0 0 15 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.847 130.1 62.2 -73.8 -37.6 35.8 -0.4 32.5 15 15 A G H > S+ 0 0 1 -6,-0.3 4,-2.6 -3,-0.2 -5,-0.2 0.917 107.5 46.0 -56.0 -44.0 35.7 -3.0 29.8 16 16 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 -7,-0.3 5,-0.3 0.959 113.4 47.5 -66.3 -50.5 32.3 -4.2 30.9 17 17 A H H X S+ 0 0 55 -4,-1.4 4,-3.1 -5,-0.3 -2,-0.2 0.940 112.6 53.6 -54.8 -46.6 30.9 -0.7 31.2 18 18 A L H X S+ 0 0 2 -4,-3.7 4,-2.2 2,-0.2 3,-0.4 0.966 105.4 48.9 -53.3 -68.4 32.4 -0.1 27.8 19 19 A A H X S+ 0 0 0 -4,-2.6 4,-3.8 1,-0.3 5,-0.2 0.864 117.4 42.3 -39.7 -51.2 30.8 -3.0 25.9 20 20 A V H X S+ 0 0 9 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.922 108.7 59.2 -67.4 -38.8 27.4 -2.2 27.2 21 21 A R H < S+ 0 0 59 -4,-3.1 -1,-0.2 -3,-0.4 -2,-0.2 0.885 120.1 29.4 -55.1 -41.3 27.9 1.5 26.7 22 22 A L H >< S+ 0 0 2 -4,-2.2 3,-2.6 -5,-0.2 8,-0.3 0.937 111.7 61.1 -83.7 -53.6 28.4 0.7 23.0 23 23 A A H 3< S+ 0 0 1 -4,-3.8 7,-0.2 1,-0.3 -3,-0.2 0.866 113.0 42.3 -40.4 -50.1 26.3 -2.4 22.4 24 24 A S T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.108 78.4 145.5 -88.7 32.2 23.3 -0.3 23.4 25 25 A D X - 0 0 18 -3,-2.6 3,-2.6 -2,-0.2 5,-0.2 -0.596 56.1-125.6 -73.9 135.5 24.0 3.0 21.6 26 26 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.754 110.9 55.6 -46.6 -34.6 20.8 4.7 20.4 27 27 A S T 3 S- 0 0 77 1,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.698 97.0-142.8 -78.9 -17.2 22.2 4.8 16.9 28 28 A Q < + 0 0 117 -3,-2.6 -26,-0.3 -6,-0.2 -5,-0.1 0.878 55.7 135.4 59.8 39.4 22.8 1.0 16.9 29 29 A S + 0 0 39 -28,-0.2 -26,-1.7 -7,-0.1 2,-0.4 0.523 47.5 74.7 -96.4 -9.2 26.0 1.5 14.9 30 30 A F E -a 3 0A 18 -8,-0.3 2,-0.4 -7,-0.2 -26,-0.2 -0.883 53.6-164.6-113.8 136.2 28.2 -0.9 16.9 31 31 A K E -a 4 0A 12 -28,-2.1 -26,-1.7 -2,-0.4 2,-0.4 -0.840 27.5-148.7-103.1 142.3 28.4 -4.7 17.0 32 32 A V E -ac 5 59A 0 26,-1.4 28,-1.7 -2,-0.4 2,-0.7 -0.982 24.6-168.2-130.7 137.1 30.4 -5.8 20.1 33 33 A Y E -ac 6 60A 0 -28,-1.8 -26,-1.4 -2,-0.4 2,-0.5 -0.841 16.7-168.6-112.7 87.4 32.7 -8.7 20.9 34 34 A A E -ac 7 61A 0 26,-1.6 28,-1.3 -2,-0.7 2,-0.5 -0.756 14.4-148.7 -79.0 124.6 33.2 -8.5 24.6 35 35 A T E -ac 8 62A 1 -28,-2.0 -25,-1.9 -2,-0.5 -26,-0.5 -0.841 12.3-166.3-104.3 128.1 36.0 -10.9 25.4 36 36 A L E - c 0 63A 1 26,-3.2 28,-2.9 -2,-0.5 3,-0.2 -0.854 17.5-152.3-110.6 149.5 36.2 -12.7 28.7 37 37 A R S S+ 0 0 140 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.957 96.9 30.9 -74.7 -56.6 39.3 -14.6 29.9 38 38 A D S > S- 0 0 74 1,-0.1 3,-0.6 25,-0.1 -1,-0.3 -0.950 76.2-156.5-106.7 104.0 37.2 -17.0 31.9 39 39 A L G > S+ 0 0 53 -2,-0.6 3,-2.5 1,-0.3 2,-0.5 0.751 84.1 76.3 -54.8 -31.9 33.8 -17.6 30.3 40 40 A K G 3 S+ 0 0 181 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.180 88.9 64.2 -72.7 24.5 32.1 -18.7 33.6 41 41 A T G <> + 0 0 57 -3,-0.6 4,-0.6 -2,-0.5 -1,-0.3 0.175 62.9 108.1-129.0 15.3 32.1 -15.0 34.4 42 42 A Q H <> + 0 0 58 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 0.660 57.0 92.7 -69.2 -13.7 29.8 -13.9 31.6 43 43 A G H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 83.9 40.7 -39.1 -79.4 27.1 -13.3 34.2 44 44 A R H > S+ 0 0 150 1,-0.2 4,-2.0 -3,-0.2 5,-0.4 0.880 113.3 56.1 -42.3 -50.6 27.6 -9.6 35.1 45 45 A L H X S+ 0 0 0 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.978 112.9 40.4 -47.0 -64.3 28.1 -8.7 31.5 46 46 A W H X S+ 0 0 106 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.818 112.9 54.5 -57.2 -38.9 24.8 -10.2 30.4 47 47 A E H X S+ 0 0 140 -4,-2.4 4,-2.4 -5,-0.2 3,-0.2 1.000 112.3 42.1 -58.0 -67.4 22.9 -8.9 33.4 48 48 A A H X S+ 0 0 28 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.855 114.8 54.2 -45.5 -41.0 23.9 -5.3 32.8 49 49 A A H <>S+ 0 0 5 -4,-2.5 5,-1.8 -5,-0.4 4,-0.5 0.946 108.2 47.8 -60.7 -48.6 23.3 -5.9 29.1 50 50 A R H ><5S+ 0 0 172 -4,-2.9 3,-0.8 -3,-0.2 -2,-0.2 0.874 107.0 59.2 -62.7 -33.6 19.8 -7.2 29.8 51 51 A A H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.6 40.5 -64.0 -38.7 19.2 -4.1 32.0 52 52 A L T 3<5S- 0 0 96 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.367 108.8-124.9 -90.0 4.8 19.9 -1.6 29.2 53 53 A A T < 5 - 0 0 55 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.907 31.2-164.3 56.9 46.4 18.0 -3.7 26.8 54 54 A C < - 0 0 21 -5,-1.8 -1,-0.2 1,-0.1 4,-0.1 -0.496 31.6-105.0 -66.1 127.4 20.8 -4.0 24.2 55 55 A P > - 0 0 42 0, 0.0 3,-0.9 0, 0.0 2,-0.3 -0.046 47.6 -89.6 -44.7 146.9 19.2 -5.2 21.1 56 56 A P T 3 S+ 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.514 108.6 21.2 -71.7 129.8 19.9 -8.9 20.4 57 57 A G T 3 S+ 0 0 54 2,-0.4 3,-0.1 -2,-0.3 -3,-0.0 0.753 94.1 99.7 86.0 27.1 23.0 -9.8 18.4 58 58 A S S < S+ 0 0 9 -3,-0.9 -26,-1.4 1,-0.2 2,-0.4 0.406 84.2 43.5-115.6 -7.6 24.7 -6.5 19.1 59 59 A L E S-c 32 0A 8 -28,-0.2 -2,-0.4 -4,-0.2 2,-0.3 -0.985 71.1-175.2-137.6 138.1 26.9 -7.9 21.9 60 60 A E E -c 33 0A 76 -28,-1.7 -26,-1.6 -2,-0.4 2,-0.5 -0.989 20.2-128.6-139.4 148.6 28.7 -11.3 21.7 61 61 A T E +c 34 0A 34 -2,-0.3 2,-0.3 -28,-0.1 -26,-0.2 -0.867 28.2 167.1-105.2 138.5 30.7 -13.3 24.1 62 62 A L E -c 35 0A 20 -28,-1.3 -26,-3.2 -2,-0.5 2,-0.4 -0.989 30.0-132.3-135.0 137.6 34.1 -14.7 23.1 63 63 A Q E +c 36 0A 101 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.801 30.3 175.2 -93.6 144.3 36.6 -16.2 25.5 64 64 A L - 0 0 6 -28,-2.9 2,-0.8 -2,-0.4 -55,-0.2 -0.858 20.9-164.4-157.2 113.9 40.2 -14.9 25.1 65 65 A D > - 0 0 44 -2,-0.3 3,-1.7 1,-0.1 7,-0.4 -0.866 7.2-163.2 -97.7 97.1 43.3 -15.7 27.2 66 66 A V T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.3 54,-0.1 0.706 85.2 68.7 -58.1 -20.3 45.8 -13.0 26.3 67 67 A R T 3 S+ 0 0 89 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.405 97.7 66.7 -81.1 12.3 48.7 -15.1 27.8 68 68 A D <> - 0 0 51 -3,-1.7 4,-1.6 1,-0.1 5,-0.2 -0.976 65.8-154.3-141.5 125.3 48.2 -17.5 24.9 69 69 A S H > S+ 0 0 81 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.783 93.6 53.8 -67.3 -34.9 48.7 -17.1 21.1 70 70 A K H > S+ 0 0 169 2,-0.2 4,-3.0 1,-0.2 3,-0.2 0.971 105.8 53.1 -69.1 -48.5 46.2 -19.7 19.8 71 71 A S H > S+ 0 0 33 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.941 108.7 49.9 -50.4 -49.9 43.3 -18.2 21.8 72 72 A V H X S+ 0 0 5 -4,-1.6 4,-2.0 -7,-0.4 -1,-0.3 0.907 112.2 49.9 -55.1 -39.6 44.1 -14.8 20.2 73 73 A A H X S+ 0 0 39 -4,-1.5 4,-1.3 -3,-0.2 -2,-0.2 0.971 112.9 44.3 -62.5 -55.6 44.1 -16.6 16.9 74 74 A A H >X S+ 0 0 36 -4,-3.0 4,-1.2 1,-0.2 3,-1.2 0.955 110.9 53.6 -55.3 -57.2 40.8 -18.3 17.5 75 75 A A H >X S+ 0 0 3 -4,-3.2 3,-0.9 1,-0.3 4,-0.6 0.901 105.8 55.8 -44.0 -49.9 39.1 -15.2 18.8 76 76 A R H >< S+ 0 0 105 -4,-2.0 3,-0.6 -5,-0.3 -1,-0.3 0.838 105.9 51.0 -50.4 -41.4 40.2 -13.4 15.6 77 77 A E H << S+ 0 0 155 -4,-1.3 -1,-0.2 -3,-1.2 -2,-0.2 0.766 97.9 64.1 -75.4 -23.6 38.5 -15.9 13.4 78 78 A R H << S+ 0 0 163 -4,-1.2 2,-2.4 -3,-0.9 -1,-0.2 0.615 73.2 100.4 -75.5 -15.2 35.1 -15.8 15.2 79 79 A V X< - 0 0 9 -4,-0.6 3,-2.0 -3,-0.6 -1,-0.1 -0.458 55.8-179.1 -71.1 76.8 34.8 -12.2 14.0 80 80 A T T 3 S+ 0 0 109 -2,-2.4 -1,-0.2 1,-0.3 -2,-0.0 0.879 71.0 70.2 -51.5 -42.6 32.5 -13.2 11.2 81 81 A E T 3 S- 0 0 64 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.579 105.1-131.9 -55.1 -8.0 32.0 -9.7 9.8 82 82 A G S < S+ 0 0 55 -3,-2.0 2,-0.3 1,-0.1 -1,-0.2 0.511 73.2 70.8 66.5 13.5 35.7 -10.2 8.9 83 83 A R - 0 0 53 -4,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.955 63.0-146.5-146.0 162.5 37.0 -6.9 10.2 84 84 A V - 0 0 18 -2,-0.3 52,-0.3 41,-0.1 -79,-0.1 -0.698 19.6-178.1-131.2 76.0 37.7 -5.3 13.6 85 85 A D S S+ 0 0 37 -2,-0.3 51,-1.3 -83,-0.2 2,-0.4 0.729 74.6 24.0 -46.1 -35.4 37.0 -1.7 12.8 86 86 A V E S-bd 5 136A 6 -82,-1.7 -80,-1.5 49,-0.2 2,-0.5 -0.974 70.2-164.2-137.4 126.0 37.9 -0.6 16.4 87 87 A L E -bd 6 137A 0 49,-4.2 51,-3.0 -2,-0.4 2,-0.7 -0.957 3.2-163.8-113.4 125.3 40.2 -2.6 18.7 88 88 A V E -bd 7 138A 0 -82,-1.6 -80,-1.5 -2,-0.5 2,-1.3 -0.901 5.9-157.1-115.8 101.9 40.1 -1.8 22.4 89 89 A C E + d 0 139A 6 49,-3.6 51,-2.0 -2,-0.7 -82,-0.1 -0.609 38.0 139.5 -80.0 95.9 43.1 -3.2 24.2 90 90 A N + 0 0 23 -2,-1.3 -1,-0.2 49,-0.2 -75,-0.1 0.662 15.5 118.0-119.7 -15.7 41.9 -3.4 27.8 91 91 A A + 0 0 25 26,-0.1 2,-0.3 22,-0.1 49,-0.1 -0.277 40.8 153.4 -57.2 138.3 43.0 -6.5 29.6 92 92 A G - 0 0 38 -83,-0.0 2,-0.2 26,-0.0 18,-0.0 -0.974 27.0-158.2-162.7 149.5 45.2 -5.4 32.6 93 93 A L - 0 0 82 -2,-0.3 2,-0.3 17,-0.3 17,-0.0 -0.766 10.7-142.1-124.3 175.5 46.2 -6.6 36.0 94 94 A G - 0 0 44 -2,-0.2 2,-0.3 2,-0.0 58,-0.0 -0.833 7.5-164.1-137.5 171.0 47.6 -4.9 39.1 95 95 A L - 0 0 46 -2,-0.3 60,-0.4 57,-0.1 2,-0.4 -0.824 4.1-168.4-163.6 120.1 50.0 -5.5 42.0 96 96 A L + 0 0 74 -2,-0.3 56,-0.2 56,-0.1 55,-0.1 -0.871 39.9 57.3-111.7 143.6 50.4 -3.8 45.3 97 97 A G S S- 0 0 3 54,-2.1 56,-0.3 -2,-0.4 2,-0.2 -0.557 83.8 -42.6 131.8 167.2 53.3 -4.2 47.8 98 98 A P >> - 0 0 5 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.492 56.6-123.2 -65.4 130.3 57.0 -3.9 48.6 99 99 A L G >4 S+ 0 0 95 1,-0.3 3,-1.0 2,-0.2 103,-0.0 0.876 108.0 59.8 -46.1 -48.1 58.9 -5.3 45.6 100 100 A E G 34 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 102,-0.1 0.689 103.3 52.1 -57.9 -22.5 60.8 -7.8 47.8 101 101 A A G <4 S+ 0 0 20 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.844 86.7 101.1 -86.0 -27.8 57.5 -9.4 48.9 102 102 A L S << S- 0 0 33 -4,-1.1 2,-0.1 -3,-1.0 -5,-0.1 -0.280 74.2-126.2 -64.0 124.9 56.2 -9.9 45.3 103 103 A G >> - 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