==== 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 10-JUN-08 3DEY . COMPND 2 MOLECULE: ESTRADIOL 17-BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAZUMDAR . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 72.9 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 . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 41.5 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 1 0 0 1 2 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 X A 0 0 143 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -67.2 29.9 1.4 22.8 2 2 X R - 0 0 95 1,-0.1 2,-0.7 28,-0.1 28,-0.2 -0.356 360.0-105.9 -82.6 161.6 29.2 1.4 19.1 3 3 X T E -a 30 0A 48 26,-3.6 28,-2.5 -2,-0.1 2,-0.6 -0.820 36.1-139.6 -84.8 117.5 26.0 2.4 17.4 4 4 X V E -a 31 0A 2 -2,-0.7 82,-2.3 26,-0.2 81,-1.9 -0.750 22.8-173.5 -85.7 121.2 24.5 -0.9 16.2 5 5 X V E -ab 32 86A 0 26,-2.8 28,-3.1 -2,-0.6 2,-0.5 -0.932 11.5-169.6-117.8 131.4 22.9 -0.6 12.7 6 6 X L E -ab 33 87A 0 80,-2.3 82,-3.1 -2,-0.4 2,-0.4 -0.995 11.6-173.1-121.8 121.1 20.9 -3.3 10.8 7 7 X I E -ab 34 88A 0 26,-2.4 28,-2.8 -2,-0.5 3,-0.3 -0.963 11.1-147.4-115.8 130.9 20.2 -2.5 7.2 8 8 X T S S+ 0 0 5 80,-2.4 28,-0.1 -2,-0.4 82,-0.1 -0.637 75.5 27.7 -94.0 152.5 17.9 -4.6 4.9 9 9 X G + 0 0 22 -2,-0.2 3,-0.5 55,-0.2 6,-0.4 0.934 65.9 154.7 70.6 51.0 18.5 -5.0 1.1 10 10 X C + 0 0 0 25,-2.3 26,-0.1 -3,-0.3 -1,-0.1 0.289 41.4 97.3 -94.7 10.0 22.3 -4.6 1.0 11 11 X S S S- 0 0 43 24,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.779 99.6 -16.7 -75.8 -20.3 23.1 -6.5 -2.2 12 12 X S S > S+ 0 0 55 -3,-0.5 4,-1.3 32,-0.1 3,-0.5 -0.950 103.6 21.0-160.6 174.4 23.1 -3.3 -4.3 13 13 X G H > S- 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.148 113.8 -6.4 70.6-147.0 22.2 0.3 -4.4 14 14 X I H > S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.919 133.6 53.5 -57.2 -47.3 21.5 2.5 -1.5 15 15 X G H > S+ 0 0 0 -3,-0.5 4,-2.2 -6,-0.4 -5,-0.2 0.892 110.5 46.5 -58.1 -44.0 21.6 -0.3 1.0 16 16 X L H X S+ 0 0 3 -4,-1.3 4,-1.9 -7,-0.3 5,-0.2 0.968 116.2 44.0 -62.3 -50.6 25.1 -1.5 -0.2 17 17 X H H X S+ 0 0 31 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.867 113.4 50.2 -67.3 -39.4 26.6 2.0 -0.2 18 18 X L H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.927 107.7 54.8 -62.1 -44.7 25.0 3.0 3.2 19 19 X A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.928 113.8 39.4 -55.9 -47.0 26.3 -0.2 4.8 20 20 X V H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.815 111.5 57.9 -78.1 -28.3 30.0 0.5 3.8 21 21 X R H X S+ 0 0 57 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.947 113.3 39.6 -59.1 -52.3 29.7 4.2 4.5 22 22 X L H >< S+ 0 0 1 -4,-2.6 3,-0.9 2,-0.2 8,-0.5 0.934 116.7 48.3 -63.7 -45.2 28.8 3.5 8.1 23 23 X A H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.856 115.2 46.0 -67.6 -31.8 31.2 0.6 8.6 24 24 X S H 3< S+ 0 0 27 -4,-2.0 -1,-0.2 30,-0.2 -2,-0.2 0.489 78.5 138.9 -90.3 -3.3 34.1 2.6 7.1 25 25 X D X< - 0 0 12 -3,-0.9 3,-2.7 -4,-0.6 5,-0.2 -0.139 59.3-130.2 -44.9 124.7 33.4 5.8 9.1 26 26 X P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.826 107.5 57.1 -50.5 -32.9 36.7 7.3 10.2 27 27 X S T 3 S- 0 0 71 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.651 97.2-140.1 -72.5 -11.9 35.3 7.6 13.8 28 28 X Q < + 0 0 118 -3,-2.7 -1,-0.1 -6,-0.1 -5,-0.1 0.818 55.2 140.9 52.3 34.2 34.4 3.8 14.0 29 29 X S + 0 0 42 -7,-0.1 -26,-3.6 -27,-0.1 2,-0.4 0.665 50.0 71.6 -74.9 -18.9 31.2 4.7 15.7 30 30 X F E -a 3 0A 11 -8,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.846 53.2-166.0-115.0 138.1 29.1 2.1 13.9 31 31 X K E -a 4 0A 17 -28,-2.5 -26,-2.8 -2,-0.4 2,-0.5 -0.987 29.2-155.3-109.8 122.2 28.8 -1.7 13.9 32 32 X V E -ac 5 59A 0 26,-3.0 28,-2.4 -2,-0.5 2,-0.8 -0.896 21.3-166.6-112.6 125.2 26.8 -2.7 10.8 33 33 X Y E -ac 6 60A 6 -28,-3.1 -26,-2.4 -2,-0.5 2,-0.7 -0.916 17.0-165.6 -96.5 102.9 24.7 -5.8 10.1 34 34 X A E -ac 7 61A 0 26,-2.8 28,-1.7 -2,-0.8 2,-0.3 -0.820 9.8-160.2 -91.2 118.1 24.2 -5.7 6.3 35 35 X T E - c 0 62A 1 -28,-2.8 -25,-2.3 -2,-0.7 2,-0.3 -0.725 12.2-179.1-106.2 153.2 21.4 -8.1 5.5 36 36 X L E - c 0 63A 1 26,-2.0 28,-2.6 -2,-0.3 3,-0.2 -0.986 31.8-133.8-146.6 148.6 20.7 -9.7 2.1 37 37 X R S S+ 0 0 110 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.893 99.2 29.8 -70.6 -42.8 18.0 -12.1 0.7 38 38 X D > - 0 0 67 1,-0.1 3,-2.1 25,-0.1 -1,-0.2 -0.976 68.6-150.9-123.5 116.7 20.5 -14.3 -1.2 39 39 X L G > S+ 0 0 73 -2,-0.5 3,-2.2 1,-0.3 4,-0.2 0.751 91.3 75.9 -58.1 -25.3 24.0 -14.7 0.1 40 40 X K G 3 S+ 0 0 195 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.697 91.0 58.0 -58.0 -15.6 25.3 -15.3 -3.4 41 41 X T G X S+ 0 0 51 -3,-2.1 3,-0.8 1,-0.2 4,-0.5 0.479 78.3 93.7 -94.0 1.6 24.9 -11.6 -3.9 42 42 X Q T <> + 0 0 60 -3,-2.2 4,-2.0 1,-0.2 5,-0.2 0.592 60.9 83.9 -70.7 -14.7 27.2 -10.6 -1.1 43 43 X G H 3> S+ 0 0 47 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.897 87.4 53.2 -55.4 -44.7 30.4 -10.2 -3.3 44 44 X R H <> S+ 0 0 118 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.896 108.0 50.7 -63.3 -35.0 29.5 -6.7 -4.3 45 45 X L H > S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.919 111.9 47.1 -68.2 -41.6 29.2 -5.6 -0.7 46 46 X W H X S+ 0 0 99 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.852 108.9 54.1 -71.0 -33.7 32.6 -7.1 0.2 47 47 X E H X S+ 0 0 140 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.929 112.8 43.8 -61.6 -45.8 34.3 -5.5 -2.8 48 48 X A H X S+ 0 0 22 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.887 110.5 55.9 -64.4 -39.4 33.0 -2.1 -1.7 49 49 X A H <>S+ 0 0 5 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.888 109.5 46.1 -60.9 -41.0 33.9 -2.8 1.9 50 50 X R H ><5S+ 0 0 173 -4,-2.1 3,-1.2 3,-0.2 -1,-0.2 0.900 108.8 55.5 -65.6 -42.6 37.5 -3.5 0.8 51 51 X A H 3<5S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.849 114.7 39.0 -61.7 -35.6 37.6 -0.4 -1.4 52 52 X L T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.405 110.3-126.0 -95.0 0.9 36.7 1.7 1.6 53 53 X A T < 5 - 0 0 59 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.895 29.0-163.9 57.9 46.9 38.8 -0.3 4.0 54 54 X C < - 0 0 18 -5,-2.6 -30,-0.2 -6,-0.1 -1,-0.2 -0.425 27.0-112.1 -59.8 128.8 36.2 -1.2 6.5 55 55 X P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.305 41.5 -88.8 -59.8 147.5 38.0 -2.4 9.6 56 56 X P T 3 S+ 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.288 116.3 23.6 -57.3 137.8 37.5 -6.0 10.4 57 57 X G T 3 S+ 0 0 29 2,-0.4 3,-0.1 -3,-0.1 -25,-0.1 0.461 95.7 97.7 83.4 -0.2 34.4 -6.5 12.6 58 58 X S S < S+ 0 0 7 -3,-2.1 -26,-3.0 1,-0.2 2,-0.4 0.736 88.3 36.7 -85.4 -20.9 32.8 -3.2 11.5 59 59 X L E +c 32 0A 4 -4,-0.4 -2,-0.4 -28,-0.2 2,-0.4 -0.994 61.7 172.8-136.9 132.1 30.6 -5.1 9.0 60 60 X E E -c 33 0A 81 -28,-2.4 -26,-2.8 -2,-0.4 2,-0.4 -0.987 22.4-137.7-135.8 144.2 28.9 -8.5 9.0 61 61 X T E -c 34 0A 22 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.836 18.7-174.7-102.0 141.4 26.5 -9.9 6.6 62 62 X L E -c 35 0A 7 -28,-1.7 -26,-2.0 -2,-0.4 2,-0.5 -0.962 28.2-119.8-126.0 147.1 23.3 -11.9 7.6 63 63 X Q E +c 36 0A 98 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.772 41.1 169.0 -82.8 130.8 20.8 -13.7 5.4 64 64 X L - 0 0 4 -28,-2.6 2,-0.6 -2,-0.5 -55,-0.2 -0.953 22.7-167.7-146.6 120.7 17.4 -12.1 5.8 65 65 X D > - 0 0 31 -2,-0.3 3,-2.0 3,-0.3 7,-0.3 -0.953 9.7-159.6-106.9 111.2 14.3 -12.7 3.7 66 66 X V T 3 S+ 0 0 12 -2,-0.6 54,-0.2 1,-0.3 -1,-0.1 0.580 88.2 68.1 -71.0 -6.7 11.8 -10.0 4.6 67 67 X R T 3 S+ 0 0 85 1,-0.2 2,-0.6 53,-0.1 -1,-0.3 0.658 96.2 61.7 -77.6 -14.4 9.0 -12.2 3.2 68 68 X D X> - 0 0 68 -3,-2.0 4,-1.9 1,-0.1 3,-0.9 -0.923 64.5-160.0-125.2 108.6 9.5 -14.7 6.1 69 69 X S H 3> S+ 0 0 74 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.767 95.5 59.3 -60.4 -23.4 9.0 -13.7 9.7 70 70 X K H 3> S+ 0 0 161 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.894 105.2 49.1 -67.1 -39.1 11.1 -16.7 10.8 71 71 X S H <> S+ 0 0 18 -3,-0.9 4,-1.9 -6,-0.3 -2,-0.2 0.866 110.5 51.3 -65.7 -38.1 14.1 -15.3 8.8 72 72 X V H X S+ 0 0 3 -4,-1.9 4,-2.0 -7,-0.3 -2,-0.2 0.945 111.9 45.7 -63.8 -48.2 13.5 -11.9 10.4 73 73 X A H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.882 110.8 53.7 -64.2 -39.7 13.5 -13.5 13.9 74 74 X A H X S+ 0 0 43 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.857 110.3 46.7 -61.8 -39.5 16.7 -15.6 13.0 75 75 X A H < S+ 0 0 3 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.891 109.6 54.0 -71.6 -37.3 18.6 -12.5 12.0 76 76 X R H >< S+ 0 0 113 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.914 106.2 52.6 -62.0 -43.6 17.5 -10.5 15.1 77 77 X E H 3< S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 101.8 62.3 -61.9 -27.1 18.8 -13.3 17.3 78 78 X R T 3< S+ 0 0 152 -4,-0.9 2,-1.5 -3,-0.2 -1,-0.3 0.524 72.2 103.0 -76.8 -6.0 22.2 -13.0 15.4 79 79 X V X - 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