==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JAN-01 1HXH . COMPND 2 MOLECULE: 3BETA/17BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR J.BENACH,C.FILLING,U.C.T.OPPERMANN,P.ROVERSI,G.BRICOGNE, . 1012 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 759 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 155 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 0.4 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 . 53 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 3 1 3 0 0 0 0 8 8 0 4 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 5 11 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 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 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 T 0 0 152 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.3 55.3 6.8 14.3 2 2 A N > + 0 0 97 1,-0.1 3,-1.8 28,-0.1 4,-0.2 -0.204 360.0 132.7-114.3 37.1 54.7 8.9 11.1 3 3 A R T 3 S+ 0 0 99 1,-0.3 3,-0.3 2,-0.1 27,-0.2 0.854 77.2 36.5 -57.3 -36.2 51.8 6.6 10.2 4 4 A L T > S+ 0 0 6 25,-3.3 3,-2.0 -3,-0.2 -1,-0.3 -0.007 78.9 131.1-106.7 26.8 49.4 9.6 9.5 5 5 A Q T < S+ 0 0 110 -3,-1.8 -1,-0.2 24,-0.3 -2,-0.1 0.790 71.5 47.9 -50.5 -36.8 52.2 11.8 8.0 6 6 A G T 3 S+ 0 0 60 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.390 90.9 108.9 -88.6 9.5 50.2 12.8 4.8 7 7 A K < - 0 0 34 -3,-2.0 25,-2.6 19,-0.1 2,-0.4 -0.664 46.2-170.0 -90.6 142.0 47.0 13.6 6.8 8 8 A V E -a 32 0A 11 -2,-0.3 74,-2.8 23,-0.2 75,-1.7 -0.991 18.7-175.9-127.9 116.7 45.8 17.2 7.3 9 9 A A E -ab 33 83A 0 23,-2.8 25,-3.1 -2,-0.4 2,-0.4 -0.810 24.7-157.5-120.1 152.0 42.9 17.4 9.8 10 10 A L E -ab 34 84A 0 73,-1.6 75,-2.8 -2,-0.3 2,-0.5 -0.997 15.1-171.3-121.0 129.6 40.6 20.0 11.2 11 11 A V E > -ab 35 85A 0 23,-2.1 25,-1.9 -2,-0.4 3,-0.6 -0.980 8.7-153.6-121.4 113.3 39.1 19.2 14.6 12 12 A T T 3 S+ 0 0 3 73,-2.4 75,-0.2 -2,-0.5 25,-0.2 -0.563 83.2 25.2 -82.2 156.6 36.3 21.5 16.0 13 13 A G T > S+ 0 0 12 23,-0.3 3,-0.7 -2,-0.2 6,-0.4 0.872 84.6 148.4 59.2 37.0 35.9 21.7 19.7 14 14 A G T < + 0 0 0 22,-2.7 9,-0.2 -3,-0.6 23,-0.2 0.438 42.5 76.1 -91.8 6.2 39.5 20.8 19.9 15 15 A A T 3 S+ 0 0 9 21,-0.3 2,-0.3 5,-0.1 -1,-0.2 0.441 103.8 14.6 -94.9 -0.9 40.7 22.6 23.0 16 16 A S S X> S+ 0 0 71 -3,-0.7 4,-1.4 172,-0.0 3,-0.6 -0.958 106.0 3.7-157.4 166.2 39.2 20.3 25.6 17 17 A G H 3> S- 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.072 120.3 -9.4 62.1-145.7 37.7 16.9 26.0 18 18 A V H 3> S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.927 134.3 57.8 -57.1 -43.3 37.5 14.4 23.2 19 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -5,-0.2 0.920 106.9 46.5 -56.6 -45.9 38.6 17.0 20.7 20 20 A L H X S+ 0 0 28 -4,-1.4 4,-2.6 -7,-0.3 -1,-0.2 0.909 112.0 50.8 -62.6 -43.3 41.8 17.7 22.5 21 21 A E H X S+ 0 0 42 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 110.0 51.0 -64.9 -34.3 42.5 14.1 22.8 22 22 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.924 108.3 51.4 -63.2 -44.6 41.9 13.7 19.1 23 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.943 112.1 47.4 -56.2 -50.5 44.3 16.5 18.3 24 24 A K H X S+ 0 0 86 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.910 112.4 47.8 -63.8 -41.2 47.0 15.0 20.4 25 25 A L H X S+ 0 0 36 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.926 113.0 48.0 -65.2 -41.8 46.6 11.5 18.9 26 26 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 3,-0.8 0.947 113.0 48.0 -63.3 -45.0 46.6 12.7 15.3 27 27 A L H ><5S+ 0 0 32 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.895 106.6 58.8 -58.0 -43.1 49.7 14.9 16.0 28 28 A G H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.685 104.2 51.2 -66.4 -18.3 51.3 11.8 17.7 29 29 A E T <<5S- 0 0 49 -4,-0.9 -25,-3.3 -3,-0.8 -1,-0.3 0.309 127.2 -96.3-101.1 11.4 50.9 9.9 14.4 30 30 A G T < 5S+ 0 0 15 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.509 76.3 138.6 99.5 2.5 52.5 12.5 12.3 31 31 A A < - 0 0 0 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.258 54.3-119.1 -75.6 168.0 49.5 14.5 11.0 32 32 A K E -a 8 0A 69 -25,-2.6 -23,-2.8 -28,-0.2 2,-0.4 -0.885 36.7-166.5-100.6 136.9 49.0 18.2 10.6 33 33 A V E -ac 9 54A 0 20,-2.8 22,-1.8 -2,-0.4 2,-0.3 -0.944 19.0-173.0-140.4 115.0 46.1 19.4 12.7 34 34 A A E -ac 10 55A 0 -25,-3.1 -23,-2.1 -2,-0.4 2,-0.3 -0.772 18.7-178.4 -90.6 148.4 44.2 22.6 12.8 35 35 A F E -ac 11 56A 1 20,-2.5 22,-2.3 -2,-0.3 2,-0.3 -0.988 13.0-161.8-145.1 154.6 41.6 22.9 15.6 36 36 A S E + c 0 57A 1 -25,-1.9 -22,-2.7 -2,-0.3 -23,-0.3 -0.903 13.0 166.8-128.5 165.0 39.1 25.5 16.8 37 37 A D - 0 0 18 20,-0.5 22,-0.3 -2,-0.3 6,-0.1 -0.953 45.4-118.5-170.9 153.0 37.3 26.0 20.0 38 38 A I S S+ 0 0 151 -2,-0.3 2,-1.4 1,-0.2 3,-0.2 0.806 105.1 74.0 -74.1 -23.8 35.1 28.7 21.8 39 39 A N > + 0 0 83 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.682 59.0 166.2 -89.4 88.5 37.9 28.9 24.5 40 40 A E H > + 0 0 63 -2,-1.4 4,-2.6 2,-0.2 5,-0.3 0.771 69.8 61.7 -73.3 -27.5 40.5 30.8 22.5 41 41 A A H > S+ 0 0 84 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.962 114.6 35.1 -60.8 -50.3 42.6 31.6 25.6 42 42 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.927 118.5 54.1 -70.1 -40.9 43.1 27.8 26.1 43 43 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.898 108.9 44.5 -61.4 -45.2 43.2 27.1 22.4 44 44 A Q H X S+ 0 0 108 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.921 113.0 51.9 -70.4 -36.8 45.9 29.5 21.4 45 45 A Q H X S+ 0 0 136 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.929 110.6 50.1 -62.3 -45.2 48.0 28.5 24.3 46 46 A L H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 107.5 51.6 -57.7 -47.5 47.6 24.8 23.3 47 47 A A H X S+ 0 0 9 -4,-2.4 4,-1.0 1,-0.2 7,-0.2 0.887 108.1 53.9 -61.7 -35.3 48.6 25.4 19.7 48 48 A A H < S+ 0 0 71 -4,-1.9 3,-0.4 -5,-0.2 -1,-0.2 0.944 114.1 40.9 -61.0 -43.3 51.7 27.2 20.9 49 49 A E H < S+ 0 0 135 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.786 109.0 59.7 -76.8 -28.7 52.7 24.2 23.0 50 50 A L H < S- 0 0 40 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.588 103.3-130.4 -82.4 -12.4 51.7 21.6 20.4 51 51 A G >< - 0 0 34 -4,-1.0 3,-2.1 -3,-0.4 -1,-0.2 -0.277 36.6 -40.0 100.5 177.8 54.1 22.8 17.8 52 52 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.560 123.6 62.4 -65.3 -20.1 54.4 23.8 14.1 53 53 A R T 3 S+ 0 0 95 -3,-0.4 -20,-2.8 -21,-0.1 2,-0.3 0.459 98.2 70.4 -87.1 -3.2 52.1 21.0 12.9 54 54 A S E < -c 33 0A 2 -3,-2.1 2,-0.3 -7,-0.2 -20,-0.2 -0.838 59.3-176.6-112.3 152.2 49.2 22.4 14.9 55 55 A M E -c 34 0A 17 -22,-1.8 -20,-2.5 -2,-0.3 2,-0.4 -0.994 14.6-146.7-143.2 139.6 47.2 25.6 14.3 56 56 A F E -c 35 0A 20 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.904 18.9-175.1-100.9 136.9 44.4 27.3 16.3 57 57 A V E -c 36 0A 18 -22,-2.3 -20,-0.5 -2,-0.4 2,-0.2 -0.995 28.9-117.5-130.2 143.0 41.7 29.2 14.5 58 58 A R + 0 0 174 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.1 -0.513 44.7 175.2 -61.3 135.3 38.7 31.3 15.8 59 59 A H - 0 0 9 -22,-0.3 2,-0.9 -2,-0.2 -2,-0.0 -0.855 37.1-162.5-161.7 116.9 35.5 29.6 14.6 60 60 A D > - 0 0 68 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.895 22.1-160.3 -86.3 101.6 31.8 30.1 15.0 61 61 A V T 3 S+ 0 0 16 -2,-0.9 57,-0.2 1,-0.3 56,-0.2 0.601 86.3 59.4 -69.1 -9.1 30.8 26.6 13.9 62 62 A S T 3 S+ 0 0 10 55,-0.1 2,-0.6 53,-0.0 -1,-0.3 0.423 90.3 90.2 -92.1 -2.9 27.2 27.7 13.2 63 63 A S <> - 0 0 28 -3,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.863 58.7-161.3-106.0 120.7 28.5 30.3 10.6 64 64 A E H > S+ 0 0 79 -2,-0.6 4,-1.5 1,-0.2 -1,-0.1 0.781 96.4 53.0 -65.9 -29.7 28.9 29.5 7.0 65 65 A A H > S+ 0 0 63 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.884 108.2 49.1 -67.4 -46.4 31.1 32.5 6.5 66 66 A D H > S+ 0 0 46 1,-0.2 4,-2.8 -6,-0.2 5,-0.2 0.932 110.2 51.4 -62.8 -45.5 33.4 31.4 9.4 67 67 A W H X S+ 0 0 0 -4,-2.4 4,-3.0 -7,-0.3 5,-0.3 0.918 108.0 52.7 -57.0 -42.5 33.7 27.9 8.0 68 68 A T H X S+ 0 0 78 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.934 112.8 43.6 -60.5 -42.6 34.6 29.2 4.6 69 69 A L H X S+ 0 0 116 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.918 114.3 49.5 -69.2 -40.9 37.4 31.3 6.1 70 70 A V H X S+ 0 0 8 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.942 110.1 51.2 -63.5 -48.8 38.6 28.5 8.4 71 71 A M H X S+ 0 0 11 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.917 114.6 43.2 -55.7 -43.3 38.7 26.0 5.5 72 72 A A H X S+ 0 0 61 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.925 115.2 47.9 -67.6 -45.8 40.7 28.3 3.4 73 73 A A H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.911 112.8 48.8 -62.5 -43.9 43.1 29.4 6.2 74 74 A V H X S+ 0 0 2 -4,-3.1 4,-3.0 -5,-0.2 5,-0.5 0.939 113.5 45.0 -65.7 -44.1 43.8 25.9 7.3 75 75 A Q H X S+ 0 0 52 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.838 108.8 56.9 -75.7 -24.5 44.5 24.5 3.8 76 76 A R H < S+ 0 0 232 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.923 118.8 32.6 -64.5 -42.5 46.7 27.5 2.9 77 77 A R H < S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 134.7 22.5 -83.3 -39.7 48.9 26.8 5.9 78 78 A L H < S- 0 0 10 -4,-3.0 -3,-0.2 1,-0.3 2,-0.2 0.561 104.5-113.0-111.5 -13.3 48.7 23.0 6.2 79 79 A G < - 0 0 30 -4,-1.2 -1,-0.3 -5,-0.5 -2,-0.1 -0.484 62.1 -13.6 106.7 176.6 47.8 21.7 2.8 80 80 A T S S- 0 0 85 -2,-0.2 -72,-0.2 1,-0.1 2,-0.1 -0.305 73.2-116.7 -57.4 129.7 44.6 20.0 1.3 81 81 A L + 0 0 2 1,-0.1 -72,-0.2 -10,-0.1 -1,-0.1 -0.422 42.5 159.6 -69.0 138.7 42.3 18.6 4.0 82 82 A N + 0 0 30 -74,-2.8 50,-2.0 1,-0.3 2,-0.4 0.348 63.8 51.8-140.1 9.9 41.7 14.9 4.3 83 83 A V E +bd 9 132A 0 -75,-1.7 -73,-1.6 48,-0.2 2,-0.4 -0.982 56.5 179.2-142.4 126.4 40.3 14.5 7.8 84 84 A L E -bd 10 133A 0 48,-2.4 50,-3.0 -2,-0.4 2,-0.6 -0.994 7.2-168.7-125.3 127.9 37.5 16.5 9.3 85 85 A V E -bd 11 134A 0 -75,-2.8 -73,-2.4 -2,-0.4 2,-1.4 -0.937 6.9-161.4-118.6 104.3 36.3 15.9 12.9 86 86 A N E + d 0 135A 5 48,-2.6 50,-2.7 -2,-0.6 -75,-0.1 -0.706 40.2 138.6 -83.4 89.5 33.0 17.6 13.6 87 87 A N + 0 0 29 -2,-1.4 -1,-0.2 -75,-0.2 -74,-0.2 0.640 25.6 111.8-111.0 -22.8 33.3 17.5 17.4 88 88 A A + 0 0 16 -3,-0.3 2,-0.3 26,-0.1 48,-0.1 -0.235 42.2 131.2 -55.5 136.7 32.1 21.0 18.5 89 89 A G - 0 0 39 25,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.955 44.4-125.4-174.6 167.6 28.8 20.8 20.3 90 90 A I - 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