==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-DEC-98 1EQU . COMPND 2 MOLECULE: PROTEIN (ESTRADIOL 17 BETA-DEHYDROGENASE 1); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.W.SAWICKI,M.ERMAN,T.PURANEN,P.VIHKO,D.GHOSH . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.3 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 . 34 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 0 0 0 2 3 4 3 0 2 0 0 0 2 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 5 2 3 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 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 1 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 0 110 0, 0.0 2,-0.2 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 120.2 24.1 8.9 65.5 2 2 A R - 0 0 74 29,-0.1 2,-0.9 0, 0.0 28,-0.1 -0.694 360.0 -35.6-139.0-171.3 20.7 10.4 64.6 3 3 A T E S-a 30 0A 49 26,-1.3 28,-2.3 -2,-0.2 2,-0.6 -0.389 70.9-153.3 -57.9 97.3 19.0 10.9 61.2 4 4 A V E -a 31 0A 0 -2,-0.9 81,-2.9 26,-0.2 82,-2.3 -0.728 13.4-170.7 -80.3 122.6 22.2 11.7 59.3 5 5 A V E -ab 32 86A 0 26,-2.6 28,-2.5 -2,-0.6 2,-0.5 -0.930 10.6-168.3-117.4 133.5 21.5 13.9 56.3 6 6 A L E -ab 33 87A 0 80,-2.4 82,-2.4 -2,-0.4 2,-0.4 -0.975 14.3-177.5-123.4 114.6 24.0 14.7 53.6 7 7 A I E -ab 34 88A 0 26,-2.0 28,-2.4 -2,-0.5 2,-0.3 -0.903 14.3-142.0-117.0 141.1 23.0 17.5 51.2 8 8 A T S S+ 0 0 1 80,-2.4 28,-0.1 -2,-0.4 57,-0.1 -0.788 76.8 23.5-104.2 151.6 24.7 18.9 48.1 9 9 A G > + 0 0 17 -2,-0.3 3,-0.5 55,-0.3 6,-0.3 0.958 67.4 155.2 66.3 52.8 24.9 22.5 46.9 10 10 A C T 3 + 0 0 0 25,-2.7 26,-0.2 -3,-0.3 -2,-0.1 0.500 45.1 93.6 -88.8 -0.7 24.3 23.9 50.4 11 11 A S T 3 S- 0 0 33 24,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.747 98.8 -15.6 -61.5 -27.6 26.0 27.2 49.6 12 12 A S S X S+ 0 0 29 -3,-0.5 3,-1.2 32,-0.1 4,-0.5 -0.988 101.5 19.2-165.4 178.3 22.7 28.7 48.6 13 13 A G T >> S- 0 0 5 -2,-0.3 4,-1.8 1,-0.3 3,-1.4 -0.186 120.6 -9.2 53.3-140.3 19.1 28.7 47.6 14 14 A I H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.841 134.6 61.0 -59.6 -30.2 17.2 25.5 48.4 15 15 A G H <> S+ 0 0 0 -3,-1.2 4,-1.1 -6,-0.3 -1,-0.3 0.762 111.4 39.3 -68.6 -25.1 20.5 23.7 49.4 16 16 A L H <> S+ 0 0 3 -3,-1.4 4,-2.6 -4,-0.5 5,-0.3 0.939 114.9 46.9 -85.9 -64.3 21.1 26.3 52.2 17 17 A H H X S+ 0 0 56 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.885 114.9 51.3 -47.3 -40.9 17.6 26.9 53.6 18 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.979 107.4 50.4 -61.3 -60.4 17.2 23.1 53.6 19 19 A A H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.3 -1,-0.2 0.878 117.3 40.9 -46.4 -44.7 20.5 22.4 55.5 20 20 A V H X S+ 0 0 8 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.879 113.1 53.3 -74.6 -32.7 19.5 25.0 58.2 21 21 A R H < S+ 0 0 69 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.925 115.6 41.0 -64.8 -47.0 15.8 24.0 58.3 22 22 A L H >< S+ 0 0 1 -4,-2.9 3,-1.5 -5,-0.2 8,-0.4 0.978 118.0 46.0 -66.3 -54.5 16.9 20.4 59.0 23 23 A A H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.3 7,-0.2 0.902 114.8 46.3 -56.2 -46.8 19.7 21.2 61.3 24 24 A S T 3< S+ 0 0 26 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.326 80.1 142.4 -81.0 7.2 17.7 23.8 63.4 25 25 A D X - 0 0 19 -3,-1.5 3,-1.6 1,-0.2 5,-0.1 -0.221 58.9-127.2 -52.4 133.9 14.7 21.5 63.7 26 26 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.639 108.2 59.8 -58.2 -17.4 13.1 21.8 67.2 27 27 A S T 3 S- 0 0 73 1,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.156 96.3-141.9 -99.4 24.4 13.3 18.0 67.6 28 28 A Q < + 0 0 117 -3,-1.6 -5,-0.1 1,-0.2 -4,-0.1 0.671 62.5 125.5 18.5 43.3 17.1 18.1 67.3 29 29 A S + 0 0 40 -7,-0.1 -26,-1.3 -27,-0.1 2,-0.5 0.598 44.7 81.6 -99.9 -9.7 16.9 14.8 65.3 30 30 A F E -a 3 0A 25 -8,-0.4 2,-0.7 -7,-0.2 -26,-0.2 -0.860 52.4-169.0-105.7 126.4 18.8 15.8 62.2 31 31 A K E -a 4 0A 17 -28,-2.3 -26,-2.6 -2,-0.5 2,-0.4 -0.949 24.4-162.9-107.9 107.7 22.6 15.8 61.9 32 32 A V E -ac 5 59A 0 26,-2.6 28,-2.5 -2,-0.7 2,-0.7 -0.749 23.8-160.5-104.5 143.3 23.3 17.5 58.7 33 33 A Y E -ac 6 60A 0 -28,-2.5 -26,-2.0 -2,-0.4 2,-0.9 -0.942 15.4-161.1-115.4 100.2 26.4 17.6 56.5 34 34 A A E -ac 7 61A 0 26,-0.7 28,-3.0 -2,-0.7 2,-0.2 -0.813 11.3-159.5 -86.0 110.1 26.0 20.6 54.3 35 35 A T E - c 0 62A 0 -28,-2.4 -25,-2.7 -2,-0.9 2,-0.4 -0.627 5.2-162.5 -89.9 149.8 28.4 20.1 51.5 36 36 A L E - c 0 63A 0 26,-1.7 28,-3.0 -2,-0.2 3,-0.3 -1.000 27.2-136.3-135.1 140.5 29.7 22.9 49.2 37 37 A R S S+ 0 0 148 -2,-0.4 2,-0.4 1,-0.3 28,-0.1 0.911 106.7 15.2 -56.6 -44.4 31.3 22.9 45.8 38 38 A D S > S- 0 0 41 26,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.986 71.9-150.3-134.3 118.2 33.7 25.5 47.3 39 39 A L G > S+ 0 0 56 -2,-0.4 3,-3.2 -3,-0.3 -1,-0.1 0.829 90.0 76.4 -55.5 -39.1 33.9 26.0 51.1 40 40 A K G 3 S+ 0 0 186 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.631 90.1 62.0 -47.5 -15.6 34.9 29.7 50.8 41 41 A T G < S+ 0 0 66 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.351 73.2 98.3 -96.1 8.6 31.2 30.2 50.0 42 42 A Q <> + 0 0 48 -3,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.129 54.8 94.2 -84.1 19.4 30.0 28.9 53.4 43 43 A G H > S+ 0 0 47 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.991 84.5 43.0 -73.4 -65.4 29.5 32.4 54.9 44 44 A R H > S+ 0 0 140 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.791 114.9 55.6 -52.1 -26.2 25.9 33.0 54.2 45 45 A L H >> S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 3,-0.6 0.999 110.7 40.6 -69.1 -63.3 25.2 29.4 55.3 46 46 A W H 3X S+ 0 0 109 -4,-1.7 4,-2.6 1,-0.3 -2,-0.2 0.839 111.9 58.6 -51.8 -40.3 26.8 29.8 58.7 47 47 A E H 3X S+ 0 0 139 -4,-2.9 4,-2.9 1,-0.2 -1,-0.3 0.915 109.3 43.0 -57.7 -45.9 25.3 33.2 59.1 48 48 A A H X>S+ 0 0 6 -4,-2.4 5,-2.6 2,-0.2 3,-0.7 0.938 111.4 41.8 -54.8 -47.6 22.7 28.9 61.0 50 50 A R H ><5S+ 0 0 172 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.952 107.1 62.0 -65.2 -48.2 23.6 31.4 63.7 51 51 A A H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.681 112.1 38.4 -51.8 -24.0 20.5 33.5 62.8 52 52 A L H <<5S- 0 0 90 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.446 107.5-124.9-104.7 -5.2 18.4 30.4 63.8 53 53 A A T <<5 - 0 0 51 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.856 33.9-164.3 62.5 32.0 20.6 29.4 66.7 54 54 A C < - 0 0 17 -5,-2.6 5,-0.3 -6,-0.2 -1,-0.2 -0.324 30.2-105.6 -54.2 94.7 20.9 26.1 65.0 55 55 A P >> - 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.451 36.8 -86.3 -24.0 145.0 22.3 24.0 68.0 56 56 A P T 34 S+ 0 0 140 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.417 109.2 23.1 -64.2 127.1 25.9 22.8 68.3 57 57 A G T 34 S+ 0 0 60 2,-0.3 3,-0.1 -2,-0.2 -3,-0.0 0.150 98.5 89.7 104.0 -16.0 26.7 19.5 66.7 58 58 A S T <4 S+ 0 0 1 -3,-1.3 -26,-2.6 1,-0.2 2,-0.6 0.881 83.5 44.5 -83.9 -39.3 23.9 19.4 64.1 59 59 A L E < +c 32 0A 16 -4,-0.5 2,-0.5 -5,-0.3 -2,-0.3 -0.925 56.7 174.4-114.3 119.0 25.4 21.1 61.1 60 60 A E E -c 33 0A 67 -28,-2.5 -26,-0.7 -2,-0.6 2,-0.3 -0.963 24.9-141.1-118.2 110.4 28.9 20.3 59.9 61 61 A T E +c 34 0A 20 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.535 25.7 177.1 -72.4 138.1 29.8 22.1 56.6 62 62 A L E -c 35 0A 6 -28,-3.0 -26,-1.7 -2,-0.3 2,-0.4 -0.929 28.6-116.3-138.4 153.1 31.9 20.0 54.2 63 63 A Q E +c 36 0A 77 -2,-0.3 2,-0.3 -28,-0.3 -26,-0.2 -0.800 34.8 168.8 -97.4 138.6 33.2 20.6 50.7 64 64 A L - 0 0 3 -28,-3.0 2,-1.0 -2,-0.4 -55,-0.3 -0.794 19.8-162.3-152.2 102.9 31.9 18.5 47.8 65 65 A D > - 0 0 38 -2,-0.3 3,-0.8 1,-0.2 7,-0.3 -0.754 10.6-155.9 -88.2 105.6 32.4 19.2 44.1 66 66 A V T 3 S+ 0 0 11 -2,-1.0 54,-0.2 1,-0.3 -1,-0.2 0.670 89.8 62.6 -52.7 -24.8 29.9 17.1 42.2 67 67 A R T 3 S+ 0 0 94 1,-0.1 -1,-0.3 53,-0.1 2,-0.2 -0.182 96.7 69.6 -95.6 43.5 32.0 17.0 39.1 68 68 A D <> - 0 0 55 -3,-0.8 4,-2.2 -2,-0.1 -3,-0.1 -0.706 57.8-164.5-163.1 103.7 34.8 15.2 40.9 69 69 A S H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.774 97.2 55.1 -60.2 -28.6 34.7 11.5 42.1 70 70 A K H > S+ 0 0 160 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 109.5 46.1 -68.5 -48.1 37.8 12.2 44.2 71 71 A S H > S+ 0 0 22 -6,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.835 113.7 51.2 -65.1 -33.2 36.0 15.1 45.9 72 72 A V H X S+ 0 0 2 -4,-2.2 4,-0.6 -7,-0.3 -2,-0.2 0.974 108.2 45.8 -72.7 -51.9 32.9 13.0 46.4 73 73 A A H X S+ 0 0 39 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.804 111.4 53.9 -62.2 -31.4 34.2 9.9 48.0 74 74 A A H X S+ 0 0 46 -4,-1.5 4,-1.3 1,-0.2 3,-0.3 0.942 104.7 53.2 -69.0 -44.1 36.4 11.9 50.5 75 75 A A H < S+ 0 0 4 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.618 109.1 53.8 -64.8 -9.7 33.3 13.8 51.6 76 76 A R H >< S+ 0 0 89 -4,-0.6 3,-1.5 -3,-0.4 -1,-0.2 0.848 103.6 51.1 -90.6 -39.7 31.8 10.4 52.2 77 77 A E H 3< S+ 0 0 145 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.673 100.4 68.2 -70.8 -19.4 34.6 9.0 54.4 78 78 A R T 3< + 0 0 121 -4,-1.3 2,-1.6 -5,-0.1 -1,-0.3 0.364 68.3 106.6 -82.8 6.2 34.3 12.2 56.5 79 79 A V X - 0 0 8 -3,-1.5 3,-3.0 1,-0.2 4,-0.2 -0.643 53.1-170.3 -88.0 84.0 30.8 11.1 57.7 80 80 A T T 3 S+ 0 0 120 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.0 0.754 80.7 65.3 -44.0 -36.4 31.9 10.2 61.2 81 81 A E T 3 S- 0 0 47 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.776 101.5-136.5 -60.0 -27.7 28.5 8.6 61.9 82 82 A G S < S+ 0 0 66 -3,-3.0 2,-0.3 1,-0.2 -2,-0.1 0.677 74.0 68.4 78.6 19.4 29.5 6.0 59.3 83 83 A R - 0 0 68 -4,-0.2 2,-0.4 46,-0.0 -1,-0.2 -0.980 61.4-152.8-164.5 149.8 26.0 6.1 57.7 84 84 A V - 0 0 12 -2,-0.3 -79,-0.2 41,-0.1 3,-0.1 -0.998 9.6-179.9-127.0 129.1 23.8 8.5 55.8 85 85 A D S S+ 0 0 31 -81,-2.9 51,-2.6 -2,-0.4 2,-0.5 0.785 76.7 30.2 -96.8 -38.7 20.0 8.0 56.2 86 86 A V E -bd 5 136A 3 -82,-2.3 -80,-2.4 49,-0.2 2,-0.4 -0.979 65.8-173.8-124.9 127.5 19.0 10.8 53.8 87 87 A L E -bd 6 137A 0 49,-1.9 51,-1.9 -2,-0.5 2,-0.5 -0.927 7.8-160.8-115.2 144.6 21.0 12.0 50.9 88 88 A V E -bd 7 138A 0 -82,-2.4 -80,-2.4 -2,-0.4 2,-0.9 -0.921 6.6-157.8-132.5 106.0 19.8 15.0 49.0 89 89 A C E + d 0 139A 7 49,-2.8 51,-2.1 -2,-0.5 -82,-0.1 -0.766 38.6 140.9 -82.2 110.2 21.1 15.5 45.5 90 90 A N + 0 0 23 -2,-0.9 -1,-0.2 49,-0.2 -81,-0.2 0.657 22.3 109.2-125.6 -32.4 20.7 19.3 45.1 91 91 A A + 0 0 28 -76,-0.1 2,-0.3 22,-0.1 49,-0.1 -0.054 42.9 152.9 -47.5 154.2 23.6 20.9 43.2 92 92 A G - 0 0 36 2,-0.0 2,-0.3 23,-0.0 18,-0.1 -0.912 34.2-136.1 177.5 154.2 22.7 22.1 39.7 93 93 A L - 0 0 61 17,-0.3 2,-0.2 -2,-0.3 65,-0.1 -0.878 15.2-147.4-121.3 150.8 23.5 24.5 36.9 94 94 A G - 0 0 11 -2,-0.3 2,-0.3 98,-0.2 16,-0.1 -0.578 9.7-170.9-108.9 174.7 21.2 26.5 34.6 95 95 A L + 0 0 30 -2,-0.2 60,-0.4 56,-0.1 2,-0.3 -0.796 5.9 178.2-169.4 126.6 21.6 27.6 31.0 96 96 A L + 0 0 21 100,-0.4 56,-0.2 -2,-0.3 55,-0.1 -0.919 32.3 61.2-133.4 156.3 19.5 30.0 28.9 97 97 A G S S- 0 0 1 54,-1.0 56,-0.3 -2,-0.3 2,-0.2 -0.629 87.9 -29.3 120.6 176.4 19.6 31.3 25.4 98 98 A P >> - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.525 58.8-125.9 -64.8 133.5 19.4 30.2 21.8 99 99 A L G >4 S+ 0 0 2 1,-0.3 3,-1.8 2,-0.2 309,-0.1 0.931 113.3 50.7 -50.1 -50.9 20.8 26.7 21.6 100 100 A E G 34 S+ 0 0 22 1,-0.3 -1,-0.3 307,-0.1 107,-0.0 0.638 104.1 62.6 -64.5 -8.8 23.3 27.8 18.9 101 101 A A G <4 S+ 0 0 12 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.696 90.8 77.2 -88.5 -22.4 24.3 30.6 21.2 102 102 A L S << S- 0 0 19 -3,-1.8 2,-0.3 -4,-0.8 3,-0.1 -0.155 78.3-123.8 -75.8-178.4 25.6 28.4 24.0 103 103 A G > - 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