==== 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 1QYV . COMPND 2 MOLECULE: ESTRADIOL 17 BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.SHI,S.X.LIN . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 73.9 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 . 15 5.4 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 . 115 41.7 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 3 0 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 0.000 360.0 360.0 360.0 166.0 29.9 0.8 22.6 2 2 A R - 0 0 103 1,-0.1 2,-0.6 28,-0.1 28,-0.2 -0.439 360.0-106.4 -81.8 158.5 29.3 0.8 18.8 3 3 A T E -a 30 0A 49 26,-3.5 28,-2.7 -2,-0.1 2,-0.5 -0.784 36.1-139.9 -83.1 119.6 26.0 1.8 17.2 4 4 A V E -a 31 0A 2 -2,-0.6 82,-2.2 26,-0.2 81,-1.7 -0.774 22.3-172.9 -85.9 126.0 24.5 -1.5 16.0 5 5 A V E -ab 32 86A 0 26,-2.8 28,-3.5 -2,-0.5 2,-0.5 -0.954 11.0-169.1-118.8 133.8 22.9 -1.1 12.5 6 6 A L E -ab 33 87A 0 80,-2.4 82,-3.0 -2,-0.4 2,-0.4 -0.996 11.7-174.5-122.2 127.2 20.9 -3.8 10.7 7 7 A I E -ab 34 88A 0 26,-2.4 28,-2.5 -2,-0.5 3,-0.3 -0.973 13.3-144.2-124.2 137.5 20.0 -3.1 7.1 8 8 A T S S+ 0 0 4 80,-2.3 82,-0.1 -2,-0.4 28,-0.1 -0.669 76.8 26.0 -97.6 153.4 17.8 -5.1 4.7 9 9 A G + 0 0 22 55,-0.3 3,-0.5 -2,-0.3 6,-0.4 0.947 66.6 156.0 65.6 57.9 18.5 -5.6 1.0 10 10 A C + 0 0 0 25,-2.7 26,-0.2 -3,-0.3 -1,-0.1 0.316 40.9 96.7 -99.8 10.1 22.3 -5.1 0.9 11 11 A S S S- 0 0 40 24,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.771 98.2 -16.8 -69.4 -28.1 23.2 -7.0 -2.3 12 12 A S S >> S+ 0 0 52 -3,-0.5 4,-1.4 32,-0.1 3,-0.6 -0.929 103.9 22.5-157.9-178.7 23.2 -3.9 -4.4 13 13 A G H 3> S- 0 0 5 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.111 114.8 -7.1 56.2-145.3 22.2 -0.3 -4.7 14 14 A I H 3> S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.903 134.0 51.5 -54.7 -46.7 21.5 1.9 -1.8 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.4 -5,-0.2 0.913 111.6 47.9 -60.9 -42.1 21.6 -0.9 0.9 16 16 A L H X S+ 0 0 3 -4,-1.4 4,-2.1 -7,-0.3 5,-0.2 0.959 114.7 45.6 -62.2 -45.1 25.1 -2.0 -0.3 17 17 A H H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.852 114.0 48.3 -66.2 -41.3 26.4 1.5 -0.4 18 18 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.916 108.1 55.0 -65.9 -45.8 25.0 2.4 3.0 19 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.947 115.0 38.6 -53.3 -50.0 26.3 -0.8 4.6 20 20 A V H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.839 112.0 56.7 -76.0 -31.2 29.9 -0.0 3.5 21 21 A R H < S+ 0 0 52 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.915 114.9 40.2 -58.2 -46.9 29.7 3.7 4.1 22 22 A L H >< S+ 0 0 1 -4,-2.5 3,-1.4 2,-0.2 8,-0.5 0.948 116.0 48.3 -68.3 -47.0 28.7 2.9 7.8 23 23 A A H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.899 115.7 45.3 -64.2 -35.3 31.2 0.0 8.3 24 24 A S T 3< S+ 0 0 26 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.372 78.5 139.2 -89.0 4.2 34.1 2.1 6.8 25 25 A D X - 0 0 19 -3,-1.4 3,-2.8 -4,-0.3 5,-0.1 -0.223 59.8-128.2 -50.2 131.5 33.3 5.2 8.8 26 26 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.877 107.5 56.4 -53.1 -35.9 36.6 6.7 10.0 27 27 A S T 3 S- 0 0 75 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.661 98.0-138.1 -71.1 -12.9 35.3 6.9 13.6 28 28 A Q < + 0 0 120 -3,-2.8 -1,-0.1 -6,-0.1 -5,-0.1 0.838 56.3 141.1 54.9 36.3 34.5 3.2 13.7 29 29 A S + 0 0 48 -7,-0.1 -26,-3.5 -27,-0.1 2,-0.3 0.681 48.6 69.4 -77.5 -26.2 31.3 4.1 15.5 30 30 A F E -a 3 0A 19 -8,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.803 54.6-163.4-110.0 144.0 29.1 1.5 13.7 31 31 A K E -a 4 0A 14 -28,-2.7 -26,-2.8 -2,-0.3 2,-0.5 -0.996 28.9-152.7-113.7 121.5 28.8 -2.3 13.7 32 32 A V E -ac 5 59A 0 26,-3.0 28,-2.9 -2,-0.5 2,-0.9 -0.908 21.6-166.0-113.4 122.8 26.8 -3.3 10.6 33 33 A Y E -ac 6 60A 6 -28,-3.5 -26,-2.4 -2,-0.5 2,-0.7 -0.884 18.0-165.7 -94.8 101.3 24.7 -6.3 10.0 34 34 A A E -ac 7 61A 0 26,-2.7 28,-1.8 -2,-0.9 2,-0.3 -0.780 10.0-163.2 -88.8 111.6 24.2 -6.2 6.2 35 35 A T E - c 0 62A 0 -28,-2.5 -25,-2.7 -2,-0.7 2,-0.3 -0.754 9.9-174.8-105.5 150.7 21.4 -8.6 5.4 36 36 A L E - c 0 63A 0 26,-1.8 28,-3.1 -2,-0.3 3,-0.2 -0.983 32.8-127.7-142.7 146.5 20.6 -10.1 2.0 37 37 A R S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 28,-0.1 0.905 103.7 22.1 -62.9 -42.0 17.8 -12.2 0.7 38 38 A D > - 0 0 49 26,-0.1 3,-2.0 1,-0.1 -1,-0.3 -0.968 68.8-149.1-128.0 118.8 20.2 -14.7 -0.8 39 39 A L G > S+ 0 0 59 -2,-0.4 3,-2.0 1,-0.3 4,-0.1 0.756 92.3 76.3 -61.6 -19.3 23.8 -15.0 0.4 40 40 A K G 3 S+ 0 0 195 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.699 90.9 58.3 -63.0 -13.4 25.0 -16.1 -3.1 41 41 A T G X S+ 0 0 53 -3,-2.0 3,-0.5 1,-0.2 4,-0.4 0.360 76.3 98.0 -96.1 10.8 24.7 -12.3 -4.0 42 42 A Q T <> + 0 0 56 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 0.490 53.5 92.4 -81.3 -2.0 27.1 -11.0 -1.3 43 43 A G H 3> S+ 0 0 47 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.922 84.4 48.2 -62.9 -43.5 30.2 -10.7 -3.6 44 44 A R H <> S+ 0 0 120 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.867 109.9 54.6 -65.7 -35.4 29.7 -7.1 -4.6 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.933 111.8 42.8 -61.7 -47.7 29.2 -6.1 -1.0 46 46 A W H X S+ 0 0 97 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.835 112.1 53.9 -67.5 -33.8 32.5 -7.7 0.1 47 47 A E H X S+ 0 0 139 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 113.6 43.1 -64.8 -39.9 34.3 -6.3 -3.0 48 48 A A H X S+ 0 0 24 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.888 110.5 55.7 -70.9 -38.4 33.0 -2.8 -1.9 49 49 A A H <>S+ 0 0 4 -4,-2.5 5,-2.5 2,-0.2 -1,-0.2 0.908 109.8 45.9 -59.0 -45.7 33.8 -3.5 1.7 50 50 A R H ><5S+ 0 0 168 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.917 108.1 57.0 -64.1 -40.5 37.5 -4.3 0.8 51 51 A A H 3<5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.7 40.8 -63.9 -29.6 37.7 -1.2 -1.4 52 52 A L T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.338 111.9-123.1 -98.3 9.1 36.7 1.1 1.5 53 53 A A T < 5 - 0 0 59 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.912 32.4-165.8 52.2 48.6 38.9 -0.9 3.9 54 54 A C < - 0 0 18 -5,-2.5 -1,-0.2 -6,-0.1 -30,-0.2 -0.462 27.9-112.0 -62.3 127.5 36.1 -1.8 6.4 55 55 A P > - 0 0 34 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.287 40.3 -87.2 -60.9 148.1 37.9 -3.0 9.5 56 56 A P T 3 S+ 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.274 117.9 20.6 -55.8 128.0 37.5 -6.7 10.3 57 57 A G T 3 S+ 0 0 28 2,-0.4 3,-0.1 -3,-0.1 -25,-0.1 0.372 96.2 98.6 89.6 -5.6 34.4 -7.1 12.4 58 58 A S S < S+ 0 0 7 -3,-2.5 -26,-3.0 1,-0.2 2,-0.4 0.714 88.0 38.8 -79.7 -25.1 32.8 -3.8 11.3 59 59 A L E +c 32 0A 5 -4,-0.4 -2,-0.4 -28,-0.2 2,-0.4 -0.996 63.8 174.1-132.9 126.2 30.6 -5.6 8.7 60 60 A E E -c 33 0A 82 -28,-2.9 -26,-2.7 -2,-0.4 2,-0.4 -0.982 20.0-140.2-131.2 144.3 28.8 -8.9 9.0 61 61 A T E +c 34 0A 24 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.859 18.9 178.7-107.4 140.1 26.4 -10.5 6.5 62 62 A L E -c 35 0A 7 -28,-1.8 -26,-1.8 -2,-0.4 2,-0.4 -0.988 32.6-117.3-130.0 148.6 23.3 -12.5 7.4 63 63 A Q E +c 36 0A 110 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.653 42.8 165.7 -77.5 131.6 20.7 -14.1 5.1 64 64 A L - 0 0 4 -28,-3.1 2,-0.8 -2,-0.4 -55,-0.3 -0.786 19.1-171.3-152.8 108.1 17.3 -12.3 5.7 65 65 A D > - 0 0 31 -2,-0.3 3,-2.5 3,-0.2 7,-0.3 -0.883 14.4-153.4-102.3 109.3 14.4 -12.7 3.4 66 66 A V T 3 S+ 0 0 8 -2,-0.8 54,-0.2 1,-0.3 -1,-0.1 0.577 89.1 71.2 -62.9 -10.8 11.7 -10.2 4.4 67 67 A R T 3 S+ 0 0 98 1,-0.2 2,-0.5 53,-0.1 -1,-0.3 0.597 95.8 61.7 -74.1 -11.7 9.0 -12.5 3.0 68 68 A D X> - 0 0 68 -3,-2.5 4,-2.2 1,-0.1 3,-0.9 -0.905 62.7-161.5-127.3 115.2 9.6 -15.0 5.8 69 69 A S H 3> S+ 0 0 75 -2,-0.5 4,-2.6 1,-0.3 5,-0.1 0.756 96.4 59.4 -59.6 -26.2 9.1 -14.2 9.5 70 70 A K H 3> S+ 0 0 163 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.874 106.7 46.6 -71.0 -37.2 11.2 -17.2 10.4 71 71 A S H <> S+ 0 0 21 -3,-0.9 4,-1.9 -6,-0.3 -2,-0.2 0.890 112.3 51.0 -68.7 -38.2 14.1 -15.6 8.4 72 72 A V H X S+ 0 0 3 -4,-2.2 4,-2.1 -7,-0.3 -2,-0.2 0.955 112.6 46.0 -63.3 -50.3 13.5 -12.3 10.1 73 73 A A H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.878 110.9 51.3 -64.2 -35.5 13.6 -13.9 13.6 74 74 A A H X S+ 0 0 51 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.897 110.5 48.9 -70.7 -33.6 16.7 -16.0 12.9 75 75 A A H >< S+ 0 0 3 -4,-1.9 3,-0.5 2,-0.2 4,-0.3 0.926 108.8 54.1 -72.0 -38.1 18.6 -12.9 11.7 76 76 A R H >< S+ 0 0 98 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.896 106.4 52.1 -58.5 -40.6 17.5 -11.0 14.8 77 77 A E H 3< S+ 0 0 150 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.791 100.3 63.3 -67.3 -29.1 18.8 -13.8 17.0 78 78 A R T << S+ 0 0 161 -4,-1.2 2,-1.3 -3,-0.5 -1,-0.3 0.465 72.5 104.5 -72.7 -5.3 22.2 -13.5 15.2 79 79 A V X - 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0 0 44 25,-0.0 2,-0.3 -83,-0.0 18,-0.1 -0.985 36.3-144.5-165.9 161.5 12.4 -3.5 -2.1 93 93 A L - 0 0 71 -2,-0.3 2,-0.2 17,-0.2 21,-0.1 -0.968 12.9-145.5-128.6 146.0 11.2 -4.6 -5.6 94 94 A G - 0 0 56 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.579 9.8-166.2-101.4 170.9 10.1 -2.5 -8.6 95 95 A L - 0 0 32 -2,-0.2 60,-0.6 57,-0.0 2,-0.4 -0.836 8.9-177.3-159.2 116.9 7.4 -3.6 -11.0 96 96 A L + 0 0 71 -2,-0.3 56,-0.2 58,-0.1 55,-0.1 -0.972 30.7 64.1-126.5 136.1 6.9 -1.9 -14.3 97 97 A G S S- 0 0 2 54,-2.4 56,-0.3 -2,-0.4 5,-0.1 -0.795 84.1 -37.5 145.7 172.1 4.3 -2.3 -17.1 98 98 A P >> - 0 0 2 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.393 57.5-123.5 -54.5 134.8 0.7 -2.0 -18.1 99 99 A L G >4 S+ 0 0 96 1,-0.3 3,-1.5 2,-0.2 101,-0.0 0.919 111.5 52.4 -52.2 -42.8 -1.4 -3.1 -15.1 100 100 A E G 34 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 100,-0.0 0.686 105.3 56.6 -68.3 -16.1 -3.2 -5.8 -17.1 101 101 A A G <4 S+ 0 0 12 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.520 84.7 101.8 -90.7 -7.2 0.1 -7.2 -18.2 102 102 A L S << S- 0 0 29 -3,-1.5 2,-0.1 -4,-0.6 -5,-0.1 -0.635 75.9-119.1 -84.2 133.9 1.4 -7.8 -14.6 103 103 A G > - 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