==== 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 12-SEP-03 1QYX . COMPND 2 MOLECULE: ESTRADIOL 17 BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.SHI,S.X.LIN . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.0 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 42.6 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 0 1 0 3 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 3,-0.0 0.000 360.0 360.0 360.0 137.7 29.7 0.7 22.7 2 2 A R - 0 0 104 1,-0.1 2,-0.6 28,-0.0 28,-0.2 -0.471 360.0-102.4 -82.6 157.5 29.3 0.8 18.9 3 3 A T E -a 30 0A 48 26,-3.6 28,-2.6 -2,-0.1 2,-0.6 -0.746 37.4-140.9 -78.9 117.8 26.1 1.8 17.2 4 4 A V E -a 31 0A 2 -2,-0.6 82,-2.4 26,-0.2 81,-1.4 -0.719 22.3-172.6 -85.6 124.0 24.5 -1.5 16.0 5 5 A V E -ab 32 86A 0 26,-2.9 28,-3.5 -2,-0.6 2,-0.5 -0.935 12.2-168.8-120.1 131.7 22.9 -1.2 12.5 6 6 A L E -ab 33 87A 0 80,-2.6 82,-3.0 -2,-0.4 2,-0.4 -0.990 11.2-175.1-121.0 122.8 20.9 -3.8 10.8 7 7 A I E -ab 34 88A 0 26,-2.8 28,-2.9 -2,-0.5 3,-0.3 -0.960 12.3-147.6-119.0 136.6 20.1 -3.1 7.1 8 8 A T S S+ 0 0 4 80,-2.4 28,-0.1 -2,-0.4 82,-0.1 -0.671 75.4 27.6 -98.8 154.8 17.9 -5.1 4.7 9 9 A G + 0 0 24 55,-0.3 3,-0.4 -2,-0.3 6,-0.4 0.949 66.2 154.5 70.1 54.9 18.5 -5.5 1.0 10 10 A C + 0 0 0 25,-2.6 26,-0.2 -3,-0.3 -1,-0.1 0.328 38.5 99.6-100.4 14.6 22.3 -5.1 0.8 11 11 A S S S- 0 0 45 24,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.771 98.6 -24.0 -72.3 -23.7 23.1 -7.0 -2.4 12 12 A S S >> S+ 0 0 58 -3,-0.4 4,-1.4 32,-0.1 3,-0.6 -0.942 103.9 31.1-164.4-175.6 23.3 -3.8 -4.4 13 13 A G H 3> S- 0 0 9 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 -0.130 114.0 -9.8 59.2-146.7 22.2 -0.2 -4.7 14 14 A I H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.899 134.9 51.9 -55.8 -49.6 21.5 2.0 -1.7 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.3 -6,-0.4 -5,-0.2 0.932 111.1 47.8 -60.3 -42.1 21.6 -0.8 0.9 16 16 A L H X S+ 0 0 8 -4,-1.4 4,-2.0 -7,-0.3 -2,-0.2 0.956 115.3 44.7 -62.1 -46.7 25.0 -2.0 -0.3 17 17 A H H X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.862 114.1 49.2 -67.0 -36.8 26.5 1.6 -0.4 18 18 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.934 108.2 53.5 -68.2 -45.7 25.0 2.5 3.0 19 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.936 114.9 40.6 -56.4 -45.1 26.3 -0.7 4.7 20 20 A V H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.867 111.7 55.8 -78.2 -27.1 29.9 -0.0 3.5 21 21 A R H < S+ 0 0 56 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.890 114.1 41.4 -61.8 -45.2 29.7 3.7 4.2 22 22 A L H >< S+ 0 0 1 -4,-2.4 3,-1.4 -5,-0.2 8,-0.4 0.961 115.5 48.5 -70.8 -43.2 28.8 3.0 7.8 23 23 A A H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 114.4 46.6 -67.1 -32.9 31.2 0.1 8.3 24 24 A S T 3< S+ 0 0 27 -4,-2.2 -1,-0.3 30,-0.2 -2,-0.2 0.402 78.3 139.6 -88.0 -0.5 34.1 2.1 6.9 25 25 A D X - 0 0 20 -3,-1.4 3,-2.8 -4,-0.3 5,-0.2 -0.175 59.4-129.3 -48.7 132.5 33.4 5.3 8.9 26 26 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.880 107.3 57.5 -54.7 -34.7 36.7 6.7 10.0 27 27 A S T 3 S- 0 0 69 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.602 96.9-139.9 -71.2 -12.5 35.4 6.9 13.6 28 28 A Q < + 0 0 126 -3,-2.8 -1,-0.1 -6,-0.1 -5,-0.1 0.810 56.9 138.2 55.7 33.3 34.6 3.2 13.8 29 29 A S + 0 0 45 -7,-0.1 -26,-3.6 -27,-0.1 2,-0.4 0.626 48.4 73.1 -83.9 -14.6 31.4 4.0 15.6 30 30 A F E -a 3 0A 20 -8,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.861 52.6-166.5-114.6 141.3 29.2 1.5 13.7 31 31 A K E -a 4 0A 15 -28,-2.6 -26,-2.9 -2,-0.4 2,-0.5 -0.987 27.1-155.5-111.7 121.8 28.8 -2.3 13.6 32 32 A V E -ac 5 59A 0 26,-3.1 28,-2.5 -2,-0.5 2,-0.8 -0.915 20.6-165.2-111.8 129.5 26.8 -3.3 10.6 33 33 A Y E -ac 6 60A 6 -28,-3.5 -26,-2.8 -2,-0.5 2,-0.8 -0.897 18.0-164.9-100.7 102.7 24.7 -6.3 9.9 34 34 A A E -ac 7 61A 0 26,-3.1 28,-1.6 -2,-0.8 2,-0.3 -0.810 9.3-159.7 -89.4 114.8 24.2 -6.2 6.2 35 35 A T E - c 0 62A 0 -28,-2.9 -25,-2.6 -2,-0.8 2,-0.3 -0.672 12.2-177.6-105.9 150.2 21.3 -8.6 5.3 36 36 A L E - c 0 63A 1 26,-1.7 28,-2.7 -2,-0.3 3,-0.2 -0.989 32.1-132.1-139.3 146.4 20.6 -10.2 1.9 37 37 A R S S+ 0 0 125 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.885 103.1 25.3 -67.0 -38.7 17.8 -12.4 0.7 38 38 A D > - 0 0 53 1,-0.1 3,-2.2 26,-0.1 -1,-0.3 -0.958 69.3-153.1-129.8 111.7 20.3 -14.8 -1.0 39 39 A L G > S+ 0 0 54 -2,-0.4 3,-2.2 1,-0.3 4,-0.1 0.741 90.0 77.5 -58.0 -19.1 23.9 -15.0 0.3 40 40 A K G 3 S+ 0 0 194 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.750 90.6 57.6 -61.5 -16.7 25.1 -16.0 -3.1 41 41 A T G X S+ 0 0 55 -3,-2.2 3,-0.5 1,-0.2 4,-0.4 0.370 77.6 97.2 -94.0 9.8 24.7 -12.3 -4.1 42 42 A Q T <> + 0 0 55 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.491 54.0 91.1 -79.0 -1.4 27.1 -11.0 -1.4 43 43 A G H 3> S+ 0 0 47 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.899 84.6 50.0 -63.2 -44.7 30.3 -10.7 -3.5 44 44 A R H <> S+ 0 0 167 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.861 109.6 52.9 -62.8 -36.5 29.7 -7.1 -4.6 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.953 111.9 44.6 -63.9 -47.8 29.2 -6.1 -1.0 46 46 A W H X S+ 0 0 98 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.807 112.4 52.0 -65.8 -34.9 32.5 -7.7 0.0 47 47 A E H X S+ 0 0 144 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.946 113.4 44.1 -64.7 -39.7 34.3 -6.2 -3.0 48 48 A A H X S+ 0 0 25 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.880 111.9 54.1 -70.8 -36.9 33.0 -2.7 -2.0 49 49 A A H <>S+ 0 0 4 -4,-2.4 5,-2.6 -5,-0.2 -1,-0.2 0.878 109.0 47.2 -63.3 -42.9 33.9 -3.4 1.6 50 50 A R H ><5S+ 0 0 171 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.906 108.7 56.0 -65.6 -37.4 37.5 -4.2 0.8 51 51 A A H 3<5S+ 0 0 86 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.802 112.4 40.8 -66.9 -29.8 37.8 -1.1 -1.4 52 52 A L T 3<5S- 0 0 90 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.291 112.4-125.4 -98.3 5.7 36.7 1.2 1.5 53 53 A A T < 5 - 0 0 58 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.890 30.5-164.0 53.7 51.4 38.9 -0.9 3.8 54 54 A C < - 0 0 19 -5,-2.6 -1,-0.2 -6,-0.1 -30,-0.2 -0.427 26.7-110.5 -65.4 132.0 36.2 -1.7 6.3 55 55 A P > - 0 0 40 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.232 40.6 -85.9 -59.5 151.0 37.9 -3.0 9.5 56 56 A P T 3 S+ 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.256 117.8 19.2 -55.3 130.1 37.6 -6.7 10.4 57 57 A G T 3 S+ 0 0 30 2,-0.4 3,-0.1 -3,-0.1 -25,-0.1 0.442 97.0 99.9 83.6 -0.2 34.4 -7.2 12.5 58 58 A S S < S+ 0 0 7 -3,-2.3 -26,-3.1 1,-0.2 2,-0.4 0.741 86.6 37.9 -84.3 -23.7 32.8 -3.8 11.3 59 59 A L E +c 32 0A 6 -4,-0.4 -2,-0.4 -28,-0.2 2,-0.3 -0.991 62.7 171.2-136.1 127.1 30.6 -5.7 8.7 60 60 A E E -c 33 0A 78 -28,-2.5 -26,-3.1 -2,-0.4 2,-0.4 -0.989 21.0-139.8-133.5 147.3 28.8 -9.0 8.8 61 61 A T E -c 34 0A 25 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.874 17.3-178.1-110.1 142.5 26.3 -10.5 6.4 62 62 A L E -c 35 0A 6 -28,-1.6 -26,-1.7 -2,-0.4 2,-0.4 -0.981 30.7-119.1-129.4 148.3 23.2 -12.5 7.4 63 63 A Q E +c 36 0A 110 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.658 42.3 166.3 -82.8 132.3 20.7 -14.1 5.1 64 64 A L - 0 0 5 -28,-2.7 2,-0.7 -2,-0.4 -55,-0.3 -0.832 21.3-167.6-152.9 111.9 17.3 -12.5 5.8 65 65 A D > - 0 0 29 -2,-0.3 3,-2.0 3,-0.2 7,-0.4 -0.911 11.3-155.9-102.0 112.9 14.2 -13.0 3.5 66 66 A V T 3 S+ 0 0 10 -2,-0.7 54,-0.2 1,-0.3 -1,-0.1 0.598 88.8 69.8 -70.0 -5.1 11.7 -10.3 4.5 67 67 A R T 3 S+ 0 0 94 1,-0.2 2,-0.5 53,-0.1 -1,-0.3 0.636 96.4 62.9 -76.4 -12.5 8.8 -12.5 3.0 68 68 A D X> - 0 0 63 -3,-2.0 4,-2.2 1,-0.1 3,-1.0 -0.900 63.8-161.1-127.5 111.9 9.4 -15.0 5.9 69 69 A S H 3> S+ 0 0 79 -2,-0.5 4,-2.5 1,-0.3 -1,-0.1 0.780 95.7 58.0 -61.6 -23.4 8.9 -14.2 9.6 70 70 A K H 3> S+ 0 0 168 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.818 106.6 47.6 -71.3 -38.8 11.1 -17.2 10.6 71 71 A S H <> S+ 0 0 24 -3,-1.0 4,-2.0 -6,-0.3 5,-0.2 0.906 112.1 51.4 -67.1 -36.2 14.0 -15.7 8.5 72 72 A V H X S+ 0 0 3 -4,-2.2 4,-2.1 -7,-0.4 3,-0.3 0.969 112.2 46.0 -65.5 -50.5 13.4 -12.3 10.2 73 73 A A H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.866 111.4 50.8 -61.9 -40.2 13.4 -14.0 13.7 74 74 A A H X S+ 0 0 57 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.857 110.3 49.5 -70.5 -29.3 16.6 -16.0 13.0 75 75 A A H < S+ 0 0 3 -4,-2.0 3,-0.4 -3,-0.3 4,-0.4 0.916 108.9 53.4 -74.3 -37.5 18.5 -12.9 11.8 76 76 A R H >< S+ 0 0 82 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.943 106.9 52.4 -60.2 -40.7 17.4 -11.0 14.9 77 77 A E H 3< S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.834 100.6 61.8 -66.8 -28.2 18.8 -13.8 17.0 78 78 A R T 3< S+ 0 0 162 -4,-1.1 2,-1.3 -3,-0.4 -1,-0.3 0.495 73.1 105.6 -77.4 -4.2 22.2 -13.6 15.2 79 79 A V X - 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