==== 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 OXIDOREDUCTASE 31-MAR-07 2PD6 . COMPND 2 MOLECULE: ESTRADIOL 17-BETA-DEHYDROGENASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.P.TURNBULL,E.SALAH,O.GILEADI,P.SAVITSKY,K.GUO,G.BUNKOCZI, . 953 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 15.2 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 . 55 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 4 0 0 0 0 4 3 4 8 0 0 4 2 2 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 0 17 3 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 . 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 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 0 A M 0 0 146 0, 0.0 2,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 145.2 -16.3 8.6 40.2 2 6 A Q - 0 0 78 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.624 360.0-110.3-134.4-172.1 -16.2 5.2 42.0 3 7 A N + 0 0 117 -2,-0.2 3,-0.4 1,-0.1 27,-0.1 -0.522 59.4 132.3-129.2 64.4 -15.5 4.0 45.6 4 8 A R + 0 0 55 1,-0.2 215,-0.4 -2,-0.2 27,-0.1 0.396 67.6 55.1 -97.9 3.1 -12.2 2.1 45.5 5 9 A L > + 0 0 11 25,-2.0 3,-2.0 22,-0.1 -1,-0.2 0.019 56.2 133.8-128.1 30.7 -10.6 3.7 48.5 6 10 A R T 3 S+ 0 0 106 -3,-0.4 -1,-0.1 1,-0.3 25,-0.1 0.775 84.3 36.6 -60.4 -29.0 -13.0 3.3 51.4 7 11 A S T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 25,-0.1 2,-0.2 0.400 96.0 116.5 -97.7 2.6 -10.2 2.1 53.8 8 12 A A < - 0 0 8 -3,-2.0 25,-2.5 19,-0.1 2,-0.5 -0.454 49.6-158.6 -81.1 143.0 -7.5 4.5 52.5 9 13 A L E -a 33 0A 0 23,-0.2 75,-1.7 72,-0.2 74,-1.4 -0.991 23.4-164.4-106.5 119.8 -5.7 7.2 54.4 10 14 A A E -ab 34 84A 0 23,-3.2 25,-3.6 -2,-0.5 2,-0.5 -0.934 12.9-159.5-113.0 130.2 -4.3 9.5 51.7 11 15 A L E -ab 35 85A 0 73,-2.8 75,-2.5 -2,-0.5 2,-0.5 -0.938 13.2-173.6-104.5 124.8 -1.7 12.2 52.2 12 16 A V E > -ab 36 86A 0 23,-2.7 25,-3.3 -2,-0.5 3,-0.6 -0.977 8.4-157.5-122.8 120.2 -1.7 14.9 49.5 13 17 A T E 3 S+ab 37 87A 2 73,-2.7 75,-0.9 -2,-0.5 25,-0.2 -0.665 83.3 27.4 -94.9 152.9 1.0 17.6 49.4 14 18 A G T > S+ 0 0 11 23,-0.6 3,-1.1 -2,-0.3 6,-0.4 0.805 80.0 147.7 60.7 30.6 0.2 20.8 47.5 15 19 A A T < + 0 0 0 22,-2.5 23,-0.2 -3,-0.6 -2,-0.1 0.519 49.1 78.7 -72.6 -8.1 -3.4 20.0 48.5 16 20 A G T 3 S+ 0 0 4 21,-0.3 2,-0.3 31,-0.1 -1,-0.2 0.625 100.1 15.8 -79.7 -13.2 -4.2 23.7 48.7 17 21 A S S X> S- 0 0 59 -3,-1.1 4,-1.5 30,-0.0 3,-0.7 -0.967 103.5 -18.7-152.7 164.4 -4.6 24.5 45.0 18 22 A G H 3> S+ 0 0 17 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.011 122.4 6.3 47.0-122.1 -5.0 23.1 41.5 19 23 A I H 3> S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.910 131.0 54.8 -66.6 -42.3 -4.1 19.5 41.0 20 24 A G H <> S+ 0 0 1 -3,-0.7 4,-2.3 -6,-0.4 -5,-0.2 0.906 111.1 45.4 -56.0 -44.6 -3.5 18.8 44.6 21 25 A R H X S+ 0 0 59 -4,-1.5 4,-2.5 -7,-0.3 5,-0.2 0.932 113.2 48.5 -66.7 -48.7 -7.0 20.1 45.5 22 26 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.897 111.6 51.8 -56.7 -39.3 -8.7 18.2 42.6 23 27 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.935 109.2 49.5 -64.1 -49.1 -6.8 15.1 43.8 24 28 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.930 111.7 48.5 -54.4 -46.0 -8.0 15.5 47.4 25 29 A V H X S+ 0 0 57 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.908 114.5 46.3 -64.5 -39.4 -11.6 16.0 46.2 26 30 A R H X S+ 0 0 11 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.929 112.4 47.9 -71.2 -44.5 -11.4 12.8 44.0 27 31 A L H <>S+ 0 0 1 -4,-3.0 5,-2.2 1,-0.2 3,-0.4 0.918 113.2 48.4 -63.8 -42.6 -9.8 10.6 46.6 28 32 A A H ><5S+ 0 0 18 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.871 106.6 57.5 -59.6 -40.8 -12.3 11.7 49.2 29 33 A G H 3<5S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.816 102.9 54.3 -59.3 -31.0 -15.0 11.0 46.7 30 34 A E T 3<5S- 0 0 0 -4,-1.3 -25,-2.0 -3,-0.4 -1,-0.2 0.473 131.0 -94.2 -82.0 -2.1 -13.7 7.4 46.4 31 35 A G T < 5S+ 0 0 25 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.407 78.2 141.2 108.6 0.9 -14.0 7.0 50.2 32 36 A A < - 0 0 2 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.409 52.5-127.3 -76.5 149.7 -10.5 7.9 51.4 33 37 A T E -a 9 0A 38 -25,-2.5 -23,-3.2 -28,-0.2 2,-0.5 -0.854 35.2-141.9 -87.7 128.0 -9.8 10.0 54.5 34 38 A V E -a 10 0A 0 -2,-0.5 21,-2.2 -25,-0.2 2,-0.7 -0.873 21.2-162.5-107.4 126.6 -7.6 12.8 53.3 35 39 A A E -ac 11 55A 0 -25,-3.6 -23,-2.7 -2,-0.5 2,-0.7 -0.935 24.2-159.1 -92.8 103.3 -4.6 14.4 55.0 36 40 A A E -ac 12 56A 0 19,-2.7 21,-2.8 -2,-0.7 2,-0.4 -0.812 11.4-174.5 -95.6 113.1 -4.3 17.6 53.0 37 41 A C E +ac 13 57A 0 -25,-3.3 -22,-2.5 -2,-0.7 -23,-0.6 -0.908 11.5 155.3-112.6 137.0 -0.9 19.2 53.3 38 42 A D E - c 0 58A 25 19,-1.8 21,-1.6 -2,-0.4 6,-0.1 -0.987 52.0-119.9-150.4 156.6 0.2 22.6 51.9 39 43 A L S S+ 0 0 107 -2,-0.3 2,-0.8 19,-0.2 21,-0.1 0.837 110.6 61.4 -58.0 -34.3 2.8 25.2 52.6 40 44 A D S >> S- 0 0 86 1,-0.2 4,-1.7 19,-0.1 3,-0.7 -0.878 74.7-161.9-102.5 108.1 -0.2 27.5 53.1 41 45 A R H 3> S+ 0 0 143 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.878 89.0 55.2 -61.7 -40.8 -2.2 26.2 56.0 42 46 A A H 3> S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.795 105.8 53.1 -63.9 -26.6 -5.3 28.2 55.1 43 47 A A H <> S+ 0 0 12 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.897 109.7 48.2 -73.6 -40.3 -5.2 26.6 51.5 44 48 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.8 49.6 -60.8 -45.3 -5.1 23.1 53.1 45 49 A Q H X S+ 0 0 68 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.896 108.7 52.6 -64.0 -41.8 -8.0 24.0 55.4 46 50 A E H X S+ 0 0 110 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.955 108.2 50.9 -59.4 -46.0 -10.1 25.4 52.5 47 51 A T H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.928 107.6 53.2 -55.3 -44.8 -9.5 22.1 50.6 48 52 A V H >< S+ 0 0 31 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.888 104.5 55.8 -60.1 -39.1 -10.7 20.1 53.6 49 53 A R H 3< S+ 0 0 208 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.788 104.4 54.6 -62.0 -30.0 -13.9 22.2 53.7 50 54 A L T << 0 0 99 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.535 360.0 360.0 -80.7 -7.7 -14.6 21.2 50.1 51 55 A L < 0 0 56 -3,-1.3 -26,-0.1 -4,-0.5 -25,-0.0 -0.579 360.0 360.0 -88.3 360.0 -14.4 17.4 50.8 52 ! 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 53 68 A N 0 0 176 0, 0.0 -20,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.3 -12.3 12.7 59.4 54 69 A H - 0 0 63 -6,-0.1 2,-0.3 -22,-0.1 -19,-0.2 -0.139 360.0-167.6 -60.5 152.8 -10.3 14.7 57.0 55 70 A A E -c 35 0A 20 -21,-2.2 -19,-2.7 2,-0.0 2,-0.4 -0.999 16.6-133.2-146.8 151.1 -7.5 17.0 58.3 56 71 A A E -c 36 0A 32 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.823 20.2-172.8-105.3 141.7 -5.3 19.8 57.2 57 72 A F E -c 37 0A 19 -21,-2.8 -19,-1.8 -2,-0.4 2,-0.5 -0.975 15.9-140.6-132.7 140.7 -1.5 19.9 57.8 58 73 A Q E +c 38 0A 89 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.884 36.1 146.8-100.0 135.1 1.0 22.7 57.2 59 74 A A - 0 0 5 -21,-1.6 2,-0.8 -2,-0.5 -19,-0.1 -0.937 46.5-140.0-161.7 142.0 4.5 21.7 55.9 60 75 A D > - 0 0 41 -2,-0.3 3,-1.9 1,-0.1 6,-0.2 -0.911 24.3-162.4 -95.8 105.4 7.3 23.0 53.7 61 76 A V T 3 S+ 0 0 9 -2,-0.8 57,-0.2 1,-0.3 58,-0.1 0.590 82.1 70.2 -70.0 -14.4 8.2 19.7 52.0 62 77 A S T 3 S+ 0 0 21 56,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.681 85.3 84.1 -72.4 -14.8 11.6 21.0 50.9 63 78 A E S <> S- 0 0 106 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.769 71.9-149.9 -93.0 124.3 12.6 20.9 54.5 64 79 A A H > S+ 0 0 23 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.883 99.2 48.2 -56.8 -42.9 13.9 17.5 55.8 65 80 A R H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 112.4 48.9 -65.9 -40.2 12.7 18.2 59.4 66 81 A A H > S+ 0 0 20 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 108.4 52.8 -68.8 -38.3 9.3 19.3 58.1 67 82 A A H X S+ 0 0 2 -4,-2.4 4,-1.6 -7,-0.2 -1,-0.2 0.913 113.7 43.6 -63.6 -42.4 8.8 16.2 55.9 68 83 A R H X S+ 0 0 53 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 113.7 50.0 -67.0 -45.7 9.5 13.9 58.8 69 84 A C H X S+ 0 0 45 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.883 106.4 57.6 -65.8 -35.1 7.4 15.9 61.2 70 85 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.939 108.5 45.0 -53.7 -54.0 4.5 15.8 58.7 71 86 A L H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.903 113.7 49.5 -62.6 -41.1 4.5 12.0 58.6 72 87 A E H X S+ 0 0 118 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.888 111.7 49.9 -62.5 -39.9 4.7 11.8 62.4 73 88 A Q H X S+ 0 0 95 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.901 110.7 48.5 -64.6 -45.6 1.8 14.3 62.7 74 89 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 6,-0.3 0.926 113.2 48.3 -58.4 -46.4 -0.3 12.3 60.2 75 90 A Q H X S+ 0 0 50 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.888 111.7 49.9 -61.6 -38.7 0.5 9.1 62.1 76 91 A A H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.8 45.1 -65.2 -44.8 -0.4 10.8 65.5 77 92 A C H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 126.6 26.7 -69.0 -42.2 -3.7 12.1 64.2 78 93 A F H < S- 0 0 41 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.488 95.3-126.0-105.0 -7.3 -4.9 9.0 62.5 79 94 A S S < S+ 0 0 116 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.676 85.3 58.6 65.1 24.1 -3.1 6.2 64.4 80 95 A R S S- 0 0 93 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.1 -0.972 88.1 -95.2-167.4 162.7 -1.7 4.8 61.2 81 96 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -72,-0.2 -0.526 47.6 -96.4 -84.0 157.3 0.4 5.7 58.2 82 97 A P - 0 0 1 0, 0.0 -72,-0.2 0, 0.0 45,-0.1 -0.546 26.4-162.5 -70.2 134.7 -1.1 7.0 54.9 83 98 A S S S+ 0 0 29 -74,-1.4 52,-2.1 -2,-0.2 2,-0.4 0.502 81.0 48.3 -91.0 -12.4 -1.4 4.1 52.4 84 99 A V E +bd 10 135A 4 -75,-1.7 -73,-2.8 50,-0.2 2,-0.4 -0.997 68.3 180.0-128.4 124.8 -1.7 6.6 49.4 85 100 A V E -bd 11 136A 0 50,-2.2 52,-3.1 -2,-0.4 2,-0.5 -1.000 3.9-173.9-129.5 126.9 0.7 9.5 49.1 86 101 A V E -bd 12 137A 0 -75,-2.5 -73,-2.7 -2,-0.4 2,-1.0 -0.978 12.2-154.8-125.8 115.5 0.6 12.1 46.3 87 102 A S E +bd 13 138A 2 50,-2.2 52,-2.3 -2,-0.5 -73,-0.1 -0.817 35.1 146.0 -93.5 103.5 3.3 14.7 45.9 88 103 A C + 0 0 22 -2,-1.0 2,-0.4 -75,-0.9 -68,-0.2 0.333 29.6 119.2-114.9 0.7 1.7 17.6 44.1 89 104 A A + 0 0 19 -3,-0.1 2,-0.3 22,-0.1 27,-0.1 -0.596 42.2 138.2 -70.1 126.5 3.7 20.4 45.8 90 105 A G - 0 0 29 -2,-0.4 2,-0.3 25,-0.1 18,-0.1 -0.981 29.7-170.0-169.7 153.2 5.5 22.1 43.0 91 106 A I - 0 0 53 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.960 12.0-142.9-146.8 165.1 6.5 25.4 41.6 92 107 A T + 0 0 47 -2,-0.3 2,-0.1 2,-0.0 59,-0.1 -0.950 11.7 178.8-124.1 152.1 8.0 27.2 38.6 93 108 A Q - 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