==== 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 1FDT . COMPND 2 MOLECULE: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.HOUSSET,R.BRETON,C.MAZZA,J.-C.FONTECILLA-CAMPS . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.6 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 . 13 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 40.4 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 0 1 0 1 2 0 2 1 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 0 140 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -53.2 26.9 -1.4 7.1 2 2 A R - 0 0 88 1,-0.1 2,-0.7 28,-0.1 28,-0.2 -0.381 360.0-102.7 -78.0 161.6 27.2 -1.3 10.9 3 3 A T E -a 30 0A 45 26,-3.5 28,-2.9 -2,-0.1 2,-0.5 -0.814 35.1-141.9 -89.3 112.5 30.5 -0.5 12.6 4 4 A V E -a 31 0A 1 -2,-0.7 82,-2.0 26,-0.2 81,-1.8 -0.741 22.1-173.1 -77.0 128.0 31.9 -3.8 13.8 5 5 A V E -ab 32 86A 0 26,-3.1 28,-2.6 -2,-0.5 2,-0.5 -0.978 11.6-165.8-126.2 132.4 33.5 -3.3 17.2 6 6 A L E -ab 33 87A 0 80,-2.8 82,-3.1 -2,-0.4 2,-0.4 -0.988 11.9-174.0-120.0 122.7 35.5 -6.0 19.0 7 7 A I E -ab 34 88A 0 26,-2.8 28,-3.0 -2,-0.5 3,-0.3 -0.949 11.4-145.7-119.3 136.6 36.2 -5.3 22.7 8 8 A T S S+ 0 0 4 80,-2.1 28,-0.1 -2,-0.4 82,-0.1 -0.722 73.4 25.1-101.9 153.7 38.4 -7.3 25.0 9 9 A G > + 0 0 22 -2,-0.3 3,-0.5 55,-0.2 7,-0.4 0.919 65.5 158.7 67.4 51.7 37.9 -7.9 28.7 10 10 A C T 3 + 0 0 0 25,-3.0 26,-0.1 -3,-0.3 -1,-0.1 0.153 41.3 97.5 -94.1 21.3 34.1 -7.4 29.0 11 11 A S T 3 S- 0 0 43 24,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.812 99.6 -18.7 -76.3 -25.3 33.3 -9.3 32.2 12 12 A S S <> S+ 0 0 72 -3,-0.5 4,-1.4 32,-0.1 3,-0.5 -0.910 102.5 26.6-161.9-176.9 33.3 -6.0 34.2 13 13 A G H > S- 0 0 16 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.084 113.5 -9.7 54.7-148.3 34.4 -2.4 34.3 14 14 A I H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.906 134.1 53.9 -48.3 -51.1 35.0 -0.3 31.4 15 15 A G H > S+ 0 0 0 -3,-0.5 4,-2.4 -6,-0.4 -5,-0.2 0.927 110.6 44.3 -56.3 -49.2 34.8 -3.1 28.9 16 16 A L H X S+ 0 0 10 -4,-1.4 4,-2.0 -7,-0.4 5,-0.2 0.955 117.3 45.5 -61.9 -49.4 31.4 -4.4 30.0 17 17 A H H X S+ 0 0 39 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.843 112.8 50.5 -62.8 -38.3 29.9 -0.9 30.1 18 18 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.904 107.6 53.9 -66.8 -43.7 31.4 0.1 26.8 19 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.968 114.7 39.8 -54.5 -52.4 30.1 -3.0 25.1 20 20 A V H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.834 110.3 59.1 -68.9 -31.9 26.5 -2.3 26.2 21 21 A R H < S+ 0 0 58 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.966 115.0 37.6 -60.2 -46.4 26.9 1.4 25.6 22 22 A L H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 8,-0.4 0.931 114.5 50.2 -72.7 -49.3 27.6 0.6 22.0 23 23 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.2 0.830 115.8 44.8 -59.9 -33.3 25.3 -2.3 21.3 24 24 A S T 3< S+ 0 0 23 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.284 78.7 139.6 -94.8 7.6 22.3 -0.3 22.7 25 25 A D X - 0 0 27 -3,-1.6 3,-3.2 1,-0.2 5,-0.2 -0.358 62.1-125.3 -57.3 127.5 23.1 2.9 21.0 26 26 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.790 109.3 60.6 -42.7 -33.1 19.8 4.4 19.8 27 27 A S T 3 S- 0 0 67 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.600 94.4-142.6 -74.3 -13.9 21.3 4.6 16.2 28 28 A Q < + 0 0 134 -3,-3.2 -1,-0.1 -6,-0.1 -5,-0.1 0.820 60.3 129.6 54.2 34.3 21.8 0.7 16.0 29 29 A S + 0 0 41 -7,-0.2 -26,-3.5 -4,-0.1 2,-0.4 0.518 45.9 78.3 -95.6 -7.7 25.0 1.4 14.1 30 30 A F E -a 3 0A 19 -8,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.839 54.1-164.7-109.3 138.7 27.3 -0.8 16.1 31 31 A K E -a 4 0A 16 -28,-2.9 -26,-3.1 -2,-0.4 2,-0.4 -0.995 25.9-158.8-113.9 125.6 27.7 -4.6 15.9 32 32 A V E -ac 5 59A 0 26,-2.1 28,-2.7 -2,-0.5 2,-0.6 -0.934 23.2-167.8-120.1 129.5 29.7 -5.5 19.1 33 33 A Y E -ac 6 60A 5 -28,-2.6 -26,-2.8 -2,-0.4 2,-0.7 -0.972 15.3-164.9-110.1 109.9 31.7 -8.6 19.9 34 34 A A E -ac 7 61A 0 26,-3.1 28,-1.7 -2,-0.6 2,-0.2 -0.919 9.8-160.1 -97.5 115.3 32.4 -8.5 23.6 35 35 A T E - c 0 62A 1 -28,-3.0 -25,-3.0 -2,-0.7 2,-0.3 -0.631 10.8-177.5 -98.5 154.2 35.2 -11.0 24.5 36 36 A L E - c 0 63A 1 26,-2.0 28,-1.9 -2,-0.2 3,-0.2 -0.989 32.9-129.5-148.2 146.1 35.9 -12.4 27.8 37 37 A R S S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.867 101.0 26.3 -63.5 -41.9 38.5 -14.8 29.2 38 38 A D > - 0 0 81 1,-0.1 3,-1.9 25,-0.1 -1,-0.2 -0.983 68.7-149.5-126.8 122.8 36.0 -17.1 30.8 39 39 A L G > S+ 0 0 70 -2,-0.4 3,-1.6 1,-0.3 4,-0.1 0.686 91.1 75.4 -64.5 -16.1 32.5 -17.4 29.5 40 40 A K G 3 S+ 0 0 188 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.684 90.8 57.1 -70.7 -11.7 31.2 -18.2 33.0 41 41 A T G X S+ 0 0 56 -3,-1.9 3,-0.6 1,-0.2 4,-0.4 0.303 77.9 99.2-101.6 9.4 31.6 -14.6 33.9 42 42 A Q T <> + 0 0 54 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 0.489 55.6 86.6 -75.2 -5.8 29.3 -13.4 31.1 43 43 A G H 3> S+ 0 0 46 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.858 83.9 53.7 -66.2 -38.5 26.2 -12.9 33.2 44 44 A R H <> S+ 0 0 158 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.934 109.7 51.6 -61.8 -39.7 26.9 -9.3 34.3 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 3,-0.3 0.959 112.1 43.7 -59.9 -52.6 27.3 -8.5 30.6 46 46 A W H X S+ 0 0 100 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.832 112.5 53.4 -64.3 -32.8 23.9 -10.0 29.6 47 47 A E H X S+ 0 0 106 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.828 111.3 45.1 -69.0 -38.3 22.1 -8.5 32.5 48 48 A A H X S+ 0 0 21 -4,-1.9 4,-2.1 -3,-0.3 -2,-0.2 0.884 110.3 56.0 -70.4 -39.5 23.4 -5.0 31.6 49 49 A A H <>S+ 0 0 6 -4,-2.6 5,-3.1 -5,-0.2 -2,-0.2 0.850 108.6 46.8 -58.4 -39.3 22.5 -5.7 28.0 50 50 A R H ><5S+ 0 0 175 -4,-1.7 3,-1.6 3,-0.2 -1,-0.2 0.934 108.8 55.0 -69.7 -43.1 18.9 -6.4 29.0 51 51 A A H 3<5S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.880 115.5 37.9 -58.0 -39.8 18.7 -3.3 31.2 52 52 A L T 3<5S- 0 0 90 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.296 113.2-125.6 -95.2 10.4 19.8 -1.1 28.2 53 53 A A T < 5 - 0 0 59 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.925 27.3-160.7 46.2 62.0 17.6 -3.2 26.0 54 54 A C < - 0 0 20 -5,-3.1 -30,-0.2 -6,-0.1 -1,-0.2 -0.545 23.5-117.7 -71.7 126.7 20.3 -4.1 23.4 55 55 A P > - 0 0 45 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.338 41.2 -80.3 -65.1 148.4 18.3 -5.3 20.3 56 56 A P T 3 S+ 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.230 117.6 17.4 -49.1 128.1 18.8 -8.9 19.1 57 57 A G T 3 S+ 0 0 32 2,-0.3 3,-0.1 -3,-0.1 -25,-0.1 0.467 95.1 100.3 87.6 -3.3 22.0 -9.3 17.2 58 58 A S S < S+ 0 0 6 -3,-2.1 -26,-2.1 1,-0.2 2,-0.4 0.675 86.9 38.0 -86.3 -18.1 23.7 -6.0 18.3 59 59 A L E +c 32 0A 5 -4,-0.4 -2,-0.3 -28,-0.2 2,-0.3 -0.986 61.5 176.5-139.6 131.6 25.9 -7.9 20.9 60 60 A E E -c 33 0A 76 -28,-2.7 -26,-3.1 -2,-0.4 2,-0.4 -0.947 20.9-137.6-129.8 145.7 27.7 -11.2 20.8 61 61 A T E -c 34 0A 31 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.910 20.2-176.6-104.9 137.4 30.0 -12.8 23.4 62 62 A L E -c 35 0A 13 -28,-1.7 -26,-2.0 -2,-0.4 2,-0.5 -0.964 28.5-123.8-128.7 143.9 33.2 -14.6 22.4 63 63 A Q E +c 36 0A 92 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.799 41.1 167.6 -86.9 128.5 35.7 -16.5 24.6 64 64 A L - 0 0 5 -28,-1.9 2,-0.7 -2,-0.5 -55,-0.2 -0.920 23.1-165.1-144.1 116.5 39.1 -14.9 24.0 65 65 A D > - 0 0 27 -2,-0.3 3,-1.6 3,-0.3 7,-0.3 -0.944 7.9-160.1-102.6 113.3 42.3 -15.5 26.2 66 66 A V T 3 S+ 0 0 6 -2,-0.7 54,-0.2 1,-0.3 -1,-0.1 0.614 89.1 67.4 -70.4 -9.6 44.7 -12.7 25.3 67 67 A R T 3 S+ 0 0 100 1,-0.2 2,-0.4 53,-0.0 -1,-0.3 0.471 99.5 61.3 -88.4 6.1 47.5 -14.8 26.7 68 68 A D <> - 0 0 58 -3,-1.6 4,-2.1 1,-0.1 -3,-0.3 -0.951 61.0-164.4-140.8 115.6 46.9 -17.2 23.8 69 69 A S H > S+ 0 0 73 -2,-0.4 4,-3.2 2,-0.2 5,-0.1 0.725 94.7 58.4 -69.1 -24.5 47.3 -16.4 20.1 70 70 A K H > S+ 0 0 167 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 109.7 46.1 -69.9 -37.8 45.3 -19.5 19.0 71 71 A S H > S+ 0 0 12 2,-0.2 4,-2.0 -6,-0.2 -2,-0.2 0.908 113.5 49.0 -67.9 -38.7 42.5 -18.1 21.2 72 72 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 -7,-0.3 -2,-0.2 0.940 112.1 48.1 -66.4 -45.8 43.1 -14.7 19.6 73 73 A A H X S+ 0 0 58 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.927 110.0 53.6 -61.5 -43.3 43.1 -16.3 16.1 74 74 A A H X S+ 0 0 37 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.888 110.3 44.1 -59.8 -44.6 39.9 -18.2 16.8 75 75 A A H < S+ 0 0 3 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.862 110.9 55.0 -68.6 -35.6 37.8 -15.1 17.9 76 76 A R H >< S+ 0 0 49 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.986 107.7 51.3 -57.0 -52.1 39.2 -13.1 14.9 77 77 A E H 3< S+ 0 0 134 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.829 101.1 62.8 -53.3 -38.6 37.8 -16.0 12.8 78 78 A R T 3< S+ 0 0 157 -4,-1.6 2,-1.6 -5,-0.1 -1,-0.3 0.548 70.7 109.3 -65.4 -14.1 34.4 -15.7 14.6 79 79 A V X - 0 0 6 -3,-2.3 3,-2.1 -4,-0.5 -1,-0.1 -0.557 55.1-165.3 -72.1 92.7 33.9 -12.1 13.2 80 80 A T T 3 S+ 0 0 119 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.0 0.826 80.5 62.0 -47.8 -39.9 31.2 -13.0 10.8 81 81 A E T 3 S- 0 0 61 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.618 102.9-128.0 -67.3 -17.9 31.5 -9.6 8.9 82 82 A G S < S+ 0 0 40 -3,-2.1 2,-0.3 -6,-0.2 -2,-0.1 0.623 81.1 60.7 79.7 9.6 35.1 -10.4 7.9 83 83 A R - 0 0 57 -7,-0.1 2,-0.5 -4,-0.0 -2,-0.2 -0.967 66.3-142.8-161.4 154.3 36.4 -7.1 9.3 84 84 A V - 0 0 6 -2,-0.3 -79,-0.2 41,-0.2 3,-0.2 -1.000 10.4-174.0-124.7 124.2 36.6 -5.2 12.6 85 85 A D S S+ 0 0 30 -81,-1.8 51,-2.0 -2,-0.5 2,-0.4 0.762 76.8 27.1 -87.5 -33.6 36.1 -1.5 12.3 86 86 A V E -bd 5 136A 4 -82,-2.0 -80,-2.8 49,-0.2 2,-0.5 -0.989 65.9-169.3-135.4 122.7 36.9 -0.6 15.9 87 87 A L E -bd 6 137A 0 49,-2.5 51,-2.7 -2,-0.4 2,-0.6 -0.959 5.1-163.6-109.5 126.7 39.2 -2.7 18.1 88 88 A V E -bd 7 138A 0 -82,-3.1 -80,-2.1 -2,-0.5 2,-1.3 -0.940 5.3-160.4-115.9 108.5 39.2 -1.9 21.8 89 89 A C E + d 0 139A 4 49,-2.6 51,-2.2 -2,-0.6 -82,-0.1 -0.753 40.4 137.7 -87.2 96.1 42.2 -3.4 23.7 90 90 A N + 0 0 20 -2,-1.3 -1,-0.2 49,-0.2 -81,-0.2 0.743 20.4 118.0-112.6 -31.6 40.8 -3.2 27.2 91 91 A A + 0 0 21 -3,-0.3 2,-0.3 26,-0.1 -82,-0.1 -0.049 41.1 157.0 -44.5 135.2 41.7 -6.5 28.9 92 92 A G - 0 0 45 -83,-0.1 2,-0.4 25,-0.0 18,-0.0 -0.980 34.3-149.3-164.5 151.9 44.0 -5.8 31.9 93 93 A L - 0 0 55 -2,-0.3 2,-0.2 17,-0.2 103,-0.1 -0.967 16.3-148.1-123.2 144.9 45.2 -7.1 35.3 94 94 A G - 0 0 16 -2,-0.4 2,-0.2 101,-0.3 101,-0.1 -0.576 9.7-168.2-104.6 171.5 46.2 -5.0 38.3 95 95 A L + 0 0 13 -2,-0.2 60,-0.6 15,-0.0 2,-0.4 -0.752 6.7 178.8-164.9 117.7 48.9 -5.8 40.8 96 96 A L + 0 0 2 100,-3.5 102,-0.3 -2,-0.2 56,-0.2 -0.966 31.6 74.0-131.8 130.0 49.5 -4.1 44.1 97 97 A G S S- 0 0 3 54,-2.6 56,-0.3 -2,-0.4 2,-0.1 -0.875 83.1 -44.1 154.7 171.1 52.0 -4.7 46.9 98 98 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.488 56.6-120.7 -60.7 142.4 55.7 -4.4 47.8 99 99 A L G > S+ 0 0 95 1,-0.3 3,-2.2 2,-0.2 108,-0.0 0.927 112.1 55.0 -50.6 -49.7 57.8 -5.5 44.9 100 100 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.0 107,-0.0 0.572 103.7 56.5 -59.8 -16.2 59.5 -8.2 47.0 101 101 A A G < S+ 0 0 14 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.410 83.9 101.3 -97.8 -0.8 56.1 -9.7 47.9 102 102 A L S < S- 0 0 32 -3,-2.2 2,-0.2 -4,-0.3 -5,-0.0 -0.690 74.0-122.2 -88.5 137.4 54.9 -10.2 44.3 103 103 A G > - 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