==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-NOV-09 3KLP . COMPND 2 MOLECULE: ESTRADIOL 17-BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAZUMDAR,S.-X.LIN . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 74.6 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 2 1 0 3 0 1 0 0 1 0 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 X A 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -58.0 34.8 -23.4 -7.1 2 2 X R - 0 0 98 1,-0.1 2,-0.6 28,-0.0 28,-0.2 -0.448 360.0 -98.8 -71.2 150.0 34.7 -23.0 -10.9 3 3 X T E -a 30 0A 52 26,-2.7 28,-3.1 -2,-0.1 2,-0.6 -0.708 37.2-142.2 -78.6 115.0 31.4 -22.0 -12.7 4 4 X V E -a 31 0A 1 -2,-0.6 82,-2.6 26,-0.2 81,-1.5 -0.712 20.8-176.6 -83.8 115.2 29.6 -25.2 -14.1 5 5 X V E -ab 32 86A 0 26,-2.9 28,-2.5 -2,-0.6 2,-0.4 -0.945 9.6-165.7-117.5 128.1 28.0 -24.8 -17.4 6 6 X L E -ab 33 87A 0 80,-3.1 82,-3.0 -2,-0.5 2,-0.4 -0.979 13.0-175.9-114.1 133.2 26.0 -27.5 -19.2 7 7 X I E -ab 34 88A 0 26,-2.5 28,-3.3 -2,-0.4 3,-0.2 -0.996 13.0-149.0-135.9 131.5 25.1 -27.0 -22.9 8 8 X T S S+ 0 0 3 80,-2.1 82,-0.2 -2,-0.4 28,-0.1 -0.575 73.6 33.1 -97.8 158.7 23.1 -28.9 -25.4 9 9 X G + 0 0 24 55,-0.3 3,-0.4 -2,-0.2 6,-0.4 0.926 66.1 154.0 67.7 57.0 23.6 -29.2 -29.2 10 10 X C + 0 0 0 25,-3.0 26,-0.2 5,-0.2 9,-0.1 0.480 39.7 93.8 -97.6 1.4 27.4 -29.0 -29.2 11 11 X S S S- 0 0 39 24,-0.2 2,-0.3 1,-0.1 33,-0.3 0.779 101.5 -17.0 -61.2 -25.5 28.4 -30.9 -32.4 12 12 X S S > S+ 0 0 71 -3,-0.4 4,-0.9 32,-0.1 3,-0.4 -0.957 104.0 19.1-165.9 158.3 28.5 -27.7 -34.4 13 13 X G H > S- 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 -0.317 112.7 -0.7 84.2-142.3 27.5 -24.1 -34.6 14 14 X I H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.968 134.3 47.0 -55.4 -60.4 26.4 -22.0 -31.7 15 15 X G H > S+ 0 0 0 -6,-0.4 4,-2.8 -3,-0.4 -5,-0.2 0.886 114.6 47.6 -50.7 -47.9 26.8 -24.7 -29.0 16 16 X L H X S+ 0 0 10 -4,-0.9 4,-2.5 -7,-0.4 5,-0.4 0.975 115.1 43.9 -52.2 -57.8 30.2 -25.8 -30.3 17 17 X H H X S+ 0 0 54 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.868 117.1 46.8 -67.1 -39.9 31.6 -22.3 -30.5 18 18 X L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.3 0.895 107.8 55.7 -64.2 -43.0 30.2 -21.4 -27.2 19 19 X A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.962 114.7 38.5 -62.1 -43.9 31.4 -24.6 -25.5 20 20 X V H X S+ 0 0 8 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.728 111.4 60.0 -80.6 -20.5 35.1 -24.0 -26.5 21 21 X R H < S+ 0 0 60 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.931 111.3 40.1 -65.7 -39.4 34.7 -20.3 -25.9 22 22 X L H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.2 8,-0.3 0.980 114.6 52.1 -72.4 -44.8 33.8 -21.0 -22.3 23 23 X A H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 7,-0.2 0.848 112.7 44.3 -60.5 -44.5 36.4 -23.8 -21.8 24 24 X S T 3< S+ 0 0 23 -4,-1.7 -1,-0.3 30,-0.2 -2,-0.2 0.373 77.2 142.3 -84.2 4.9 39.3 -21.7 -23.1 25 25 X D X - 0 0 23 -3,-2.1 3,-3.4 -4,-0.2 4,-0.2 -0.263 54.8-133.3 -45.9 118.0 38.2 -18.7 -21.1 26 26 X P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.855 105.4 57.1 -48.4 -42.0 41.7 -17.2 -20.0 27 27 X S T 3 S- 0 0 85 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.706 103.6-136.6 -59.2 -13.3 40.6 -16.7 -16.4 28 28 X Q < + 0 0 123 -3,-3.4 -1,-0.1 -6,-0.1 -5,-0.1 0.835 57.2 141.2 54.7 38.6 39.8 -20.5 -16.4 29 29 X S + 0 0 42 -4,-0.2 -26,-2.7 -7,-0.2 2,-0.4 0.397 42.6 72.4 -90.1 8.1 36.6 -19.8 -14.6 30 30 X F E -a 3 0A 16 -8,-0.3 2,-0.6 -28,-0.2 -26,-0.2 -0.952 53.6-157.4-131.7 137.8 34.2 -22.4 -16.3 31 31 X K E -a 4 0A 13 -28,-3.1 -26,-2.9 -2,-0.4 2,-0.6 -0.942 25.5-155.2-113.1 124.5 33.6 -26.1 -16.4 32 32 X V E -ac 5 59A 0 26,-1.3 28,-3.0 -2,-0.6 2,-0.9 -0.852 20.4-170.7-115.9 115.4 31.9 -27.1 -19.5 33 33 X Y E -ac 6 60A 6 -28,-2.5 -26,-2.5 -2,-0.6 2,-0.9 -0.884 18.8-163.5 -90.3 100.5 29.7 -30.2 -20.1 34 34 X A E -ac 7 61A 0 26,-2.8 28,-1.6 -2,-0.9 2,-0.3 -0.827 7.4-160.7 -83.7 114.1 29.3 -30.1 -23.8 35 35 X T E + c 0 62A 0 -28,-3.3 -25,-3.0 -2,-0.9 2,-0.3 -0.692 11.9 179.9 -94.5 150.3 26.3 -32.3 -24.8 36 36 X L E - c 0 63A 1 26,-1.6 28,-2.4 -2,-0.3 3,-0.2 -0.969 38.7-120.9-138.6 151.1 25.6 -33.8 -28.3 37 37 X R S S+ 0 0 73 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.954 106.2 19.9 -58.4 -49.6 22.7 -36.1 -29.6 38 38 X D > - 0 0 64 1,-0.1 3,-2.3 25,-0.1 -1,-0.3 -0.986 69.5-142.6-123.7 127.8 25.5 -38.7 -30.7 39 39 X L G > S+ 0 0 66 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.731 95.7 74.3 -50.2 -31.0 29.1 -38.8 -29.4 40 40 X K G 3 S+ 0 0 184 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.649 89.6 56.8 -59.9 -20.5 30.2 -39.8 -32.9 41 41 X T G X S+ 0 0 53 -3,-2.3 3,-0.6 1,-0.2 4,-0.4 0.310 76.8 101.2 -93.4 8.8 29.8 -36.3 -34.1 42 42 X Q T <> + 0 0 55 -3,-2.1 4,-2.2 1,-0.2 5,-0.2 0.420 49.9 100.2 -74.0 -1.9 32.2 -34.9 -31.4 43 43 X G H 3> S+ 0 0 51 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.906 83.3 42.8 -45.4 -55.6 35.1 -34.5 -33.9 44 44 X R H <> S+ 0 0 162 -3,-0.6 4,-2.1 -33,-0.3 5,-0.2 0.868 108.4 58.4 -69.0 -36.0 34.7 -30.8 -34.5 45 45 X L H > S+ 0 0 0 -4,-0.4 4,-2.1 -34,-0.2 -1,-0.2 0.982 114.2 38.5 -54.9 -51.8 34.1 -30.0 -30.9 46 46 X W H X S+ 0 0 88 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.865 111.7 54.3 -69.5 -40.7 37.6 -31.5 -30.0 47 47 X E H X S+ 0 0 111 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.967 114.7 43.7 -52.8 -48.7 39.5 -30.3 -33.0 48 48 X A H X S+ 0 0 21 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.775 108.6 57.3 -76.8 -28.9 38.3 -26.8 -32.0 49 49 X A H <>S+ 0 0 5 -4,-2.1 5,-2.4 -5,-0.2 3,-0.5 0.929 108.0 48.2 -55.8 -50.9 39.0 -27.4 -28.3 50 50 X R H ><5S+ 0 0 176 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.890 108.2 55.5 -53.5 -45.1 42.7 -28.2 -29.2 51 51 X A H 3<5S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 112.3 40.1 -70.4 -27.1 42.9 -25.1 -31.4 52 52 X L T 3<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 -0.027 111.5-124.4-105.0 29.8 41.9 -22.7 -28.6 53 53 X A T < 5 - 0 0 60 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.769 30.4-165.7 26.9 60.0 44.0 -24.8 -26.2 54 54 X C < - 0 0 18 -5,-2.4 -30,-0.2 -6,-0.1 -1,-0.1 -0.508 27.7-114.6 -65.7 131.8 41.3 -25.6 -23.6 55 55 X P > - 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.278 44.6 -80.6 -55.1 156.2 43.2 -26.8 -20.5 56 56 X P T 3 S+ 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.424 117.7 18.1 -49.5 127.6 42.6 -30.5 -19.6 57 57 X G T 3 S+ 0 0 31 2,-0.4 3,-0.1 -2,-0.1 -25,-0.1 0.397 92.3 101.3 86.6 -2.5 39.3 -30.9 -17.7 58 58 X S S < S+ 0 0 2 -3,-1.4 -26,-1.3 1,-0.2 2,-0.4 0.433 87.9 46.6 -81.3 1.9 37.8 -27.6 -18.7 59 59 X L E +c 32 0A 4 -28,-0.2 -2,-0.4 -4,-0.1 2,-0.3 -0.945 60.7 168.9-155.5 121.0 35.8 -29.6 -21.2 60 60 X E E -c 33 0A 82 -28,-3.0 -26,-2.8 -2,-0.4 2,-0.5 -0.989 20.7-143.0-133.3 140.4 33.8 -32.8 -21.1 61 61 X T E +c 34 0A 21 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.891 17.9 179.9-105.3 135.8 31.4 -34.4 -23.6 62 62 X L E -c 35 0A 6 -28,-1.6 -26,-1.6 -2,-0.5 2,-0.4 -0.960 32.2-115.3-122.6 151.6 28.3 -36.2 -22.7 63 63 X Q E +c 36 0A 91 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.720 41.4 169.2 -72.3 129.5 25.6 -38.0 -24.8 64 64 X L - 0 0 6 -28,-2.4 2,-0.7 -2,-0.4 -55,-0.3 -0.828 16.6-174.8-147.8 102.6 22.4 -36.1 -24.3 65 65 X D > - 0 0 25 -2,-0.2 3,-1.1 3,-0.2 6,-0.3 -0.907 10.5-161.4 -96.6 116.8 19.4 -36.8 -26.6 66 66 X V T 3 S+ 0 0 4 -2,-0.7 54,-0.2 1,-0.2 -1,-0.1 0.574 84.1 74.0 -75.2 -10.1 16.7 -34.3 -25.5 67 67 X R T 3 S+ 0 0 92 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.566 100.6 51.7 -69.7 -3.5 14.0 -36.4 -27.2 68 68 X D X> - 0 0 66 -3,-1.1 4,-1.4 1,-0.1 3,-1.0 -0.933 65.7-158.7-148.2 110.4 14.4 -38.7 -24.2 69 69 X S H 3> S+ 0 0 70 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.511 92.0 65.2 -79.4 -4.3 14.4 -37.8 -20.7 70 70 X K H 3> S+ 0 0 170 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.755 105.0 47.8 -76.7 -40.2 16.3 -40.9 -19.5 71 71 X S H <4 S+ 0 0 15 -3,-1.0 -2,-0.2 -6,-0.3 5,-0.2 0.847 110.8 53.3 -55.2 -40.0 19.3 -39.5 -21.5 72 72 X V H >X S+ 0 0 1 -4,-1.4 4,-2.5 -7,-0.3 3,-1.4 0.983 111.6 42.3 -66.7 -60.5 18.5 -36.2 -19.7 73 73 X A H 3X S+ 0 0 54 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.934 110.8 58.7 -38.3 -56.4 18.6 -37.8 -16.2 74 74 X A H 3< S+ 0 0 51 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.446 112.0 41.2 -62.4 4.5 21.8 -39.8 -17.2 75 75 X A H <4 S+ 0 0 1 -3,-1.4 4,-0.4 2,-0.2 -1,-0.2 0.679 109.7 52.0-125.8 -36.3 23.6 -36.6 -17.9 76 76 X R H >< S+ 0 0 57 -4,-2.5 3,-2.2 -5,-0.2 -2,-0.2 0.981 111.4 55.8 -46.6 -51.6 22.4 -34.5 -15.0 77 77 X E T 3< S+ 0 0 145 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.885 98.1 57.7 -57.2 -43.2 23.7 -37.6 -13.3 78 78 X R T 3 S+ 0 0 147 -4,-0.4 2,-1.8 -5,-0.2 -1,-0.3 0.512 74.6 115.2 -67.3 -0.7 27.3 -37.4 -14.9 79 79 X V X - 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