==== 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 26-APR-96 1FMC . COMPND 2 MOLECULE: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.TANAKA,T.NONAKA,Y.MITSUI . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.3 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 0 0 0 0 2 0 3 3 2 0 2 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 2 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 2 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 M 0 0 234 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.6 23.4 17.8 32.1 2 2 A F - 0 0 165 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.377 360.0-179.7 -69.0 138.8 27.2 18.1 31.8 3 3 A N > - 0 0 74 -2,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.860 17.4-160.5-143.7 104.3 29.3 14.9 31.9 4 4 A S G > S+ 0 0 65 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.771 90.8 62.7 -54.3 -31.4 33.1 15.3 31.6 5 5 A D G > S+ 0 0 99 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.676 90.9 65.7 -71.1 -18.2 33.4 11.7 30.5 6 6 A N G < S+ 0 0 72 -3,-2.0 229,-1.7 1,-0.2 -1,-0.2 0.545 99.0 54.1 -78.3 -9.1 31.4 12.3 27.4 7 7 A L G < S+ 0 0 67 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 0.255 99.6 81.2-104.8 6.8 34.1 14.5 26.1 8 8 A R < - 0 0 94 -3,-1.0 27,-0.2 2,-0.1 227,-0.1 -0.709 69.8-140.1-112.5 167.5 36.8 11.9 26.6 9 9 A L > + 0 0 0 25,-2.8 3,-2.4 -2,-0.2 28,-0.2 -0.094 36.2 166.7-115.8 31.3 38.0 8.9 24.5 10 10 A D T 3 S+ 0 0 77 24,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.249 72.8 4.9 -53.6 124.0 38.6 6.5 27.3 11 11 A G T 3 S+ 0 0 59 24,-1.3 2,-0.3 1,-0.3 -1,-0.3 0.580 100.0 128.8 78.8 8.5 39.1 3.0 26.0 12 12 A K < - 0 0 65 -3,-2.4 25,-2.3 23,-0.2 2,-0.5 -0.769 48.2-146.4 -97.8 145.4 38.9 4.1 22.3 13 13 A C E -a 37 0A 7 -2,-0.3 77,-3.0 23,-0.2 78,-2.1 -0.953 19.8-173.4-115.0 125.5 41.6 3.1 19.7 14 14 A A E -ab 38 91A 0 23,-2.5 25,-2.1 -2,-0.5 2,-0.5 -0.913 20.5-150.8-125.0 146.0 42.5 5.6 17.0 15 15 A I E -ab 39 92A 0 76,-2.2 78,-3.0 -2,-0.3 2,-0.4 -0.946 18.5-171.2-109.3 129.8 44.6 5.6 13.8 16 16 A I E > -ab 40 93A 0 23,-2.4 25,-2.7 -2,-0.5 3,-0.6 -0.982 7.5-153.8-128.5 117.8 46.0 9.0 12.9 17 17 A T T 3 S+ 0 0 0 76,-2.0 78,-0.3 -2,-0.4 25,-0.2 -0.626 79.2 18.3 -88.2 150.6 47.8 9.6 9.6 18 18 A G T > S+ 0 0 13 -2,-0.2 3,-0.8 49,-0.2 6,-0.4 0.810 80.3 143.9 59.0 33.0 50.4 12.3 9.1 19 19 A A T < + 0 0 0 22,-2.4 23,-0.2 -3,-0.6 -1,-0.1 0.418 39.7 92.3 -83.9 2.0 50.8 12.4 12.9 20 20 A G T 3 S- 0 0 6 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.655 98.6 -5.5 -71.2 -16.1 54.5 13.1 12.9 21 21 A A S X> S+ 0 0 49 -3,-0.8 4,-1.4 30,-0.0 3,-0.8 -0.975 103.9 10.1-165.9 173.8 54.0 16.8 13.0 22 22 A G H 3> S- 0 0 25 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.041 120.1 -5.6 50.5-139.5 51.7 19.9 12.9 23 23 A I H 3> S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 135.9 55.0 -52.1 -44.1 48.0 19.3 13.2 24 24 A G H <> S+ 0 0 0 -3,-0.8 4,-2.2 -6,-0.4 -5,-0.3 0.913 108.3 48.2 -60.0 -43.5 48.4 15.5 13.0 25 25 A K H X S+ 0 0 51 -4,-1.4 4,-2.6 -7,-0.3 5,-0.2 0.937 110.9 50.1 -62.1 -48.1 50.8 15.5 16.0 26 26 A E H X S+ 0 0 51 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.859 110.3 50.4 -60.0 -38.9 48.6 17.7 18.1 27 27 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.927 110.0 50.9 -65.9 -41.9 45.6 15.5 17.4 28 28 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.936 114.6 42.2 -60.9 -46.9 47.6 12.4 18.4 29 29 A I H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 114.9 49.9 -67.5 -45.6 48.7 14.0 21.7 30 30 A T H < S+ 0 0 14 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.905 113.6 46.4 -60.6 -41.0 45.3 15.5 22.5 31 31 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 3,-0.7 0.870 112.3 49.0 -68.5 -43.2 43.6 12.1 21.8 32 32 A A H ><5S+ 0 0 8 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.943 112.1 49.0 -61.6 -46.0 46.1 10.0 23.9 33 33 A T T 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.471 106.5 56.8 -74.8 -1.5 45.8 12.4 26.8 34 34 A A T < 5S- 0 0 7 -3,-0.7 -25,-2.8 -4,-0.2 -24,-0.3 0.190 133.3 -86.6-108.5 8.2 41.9 12.2 26.6 35 35 A G T < 5S+ 0 0 25 -3,-1.7 -24,-1.3 1,-0.3 -23,-0.2 0.357 83.5 129.0 109.2 -6.3 42.1 8.5 27.0 36 36 A A < - 0 0 3 -5,-2.7 2,-0.5 -26,-0.2 25,-0.5 -0.553 55.3-128.1 -90.0 148.6 42.7 6.9 23.5 37 37 A S E -a 13 0A 27 -25,-2.3 -23,-2.5 -2,-0.2 2,-0.4 -0.802 39.4-151.8 -84.6 131.0 45.3 4.3 22.5 38 38 A V E -ac 14 62A 0 23,-2.9 25,-1.9 -2,-0.5 2,-0.6 -0.851 25.0-157.2-120.2 141.0 46.9 5.8 19.4 39 39 A V E -ac 15 63A 0 -25,-2.1 -23,-2.4 -2,-0.4 2,-0.7 -0.989 21.0-156.2-109.1 116.0 48.6 4.5 16.3 40 40 A V E -ac 16 64A 0 23,-3.2 25,-2.2 -2,-0.6 2,-0.4 -0.882 14.3-176.0 -94.4 108.2 50.8 7.4 14.9 41 41 A S E + c 0 65A 1 -25,-2.7 -22,-2.4 -2,-0.7 -21,-0.4 -0.856 13.4 147.8-109.8 146.3 51.5 7.0 11.2 42 42 A D E - c 0 66A 22 23,-1.7 25,-1.0 -2,-0.4 26,-0.0 -0.945 52.7-123.6-166.3 155.6 53.7 9.2 9.1 43 43 A I S S+ 0 0 88 -2,-0.3 2,-1.0 23,-0.2 25,-0.1 0.798 103.1 72.2 -75.7 -28.1 56.0 8.8 6.1 44 44 A N >> - 0 0 83 1,-0.2 4,-2.0 23,-0.1 3,-0.6 -0.747 69.1-167.6 -92.3 97.8 58.8 10.2 8.3 45 45 A A H 3> S+ 0 0 40 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.829 83.3 56.3 -53.2 -41.5 59.6 7.4 10.7 46 46 A D H 3> S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 108.7 47.3 -61.7 -40.1 61.7 9.6 13.0 47 47 A A H <> S+ 0 0 19 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.907 110.7 52.0 -68.2 -41.7 58.9 12.0 13.5 48 48 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.940 111.2 47.2 -60.9 -46.1 56.5 9.2 14.2 49 49 A N H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.901 109.7 53.2 -62.4 -43.0 58.8 7.7 16.9 50 50 A H H X S+ 0 0 85 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.926 109.0 48.6 -57.7 -49.4 59.3 11.0 18.5 51 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.934 108.4 55.1 -58.7 -42.5 55.6 11.6 18.9 52 52 A V H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.898 108.8 47.8 -59.1 -38.7 55.2 8.1 20.3 53 53 A D H X S+ 0 0 77 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.945 108.8 53.1 -66.8 -47.3 57.8 8.9 23.0 54 54 A E H X S+ 0 0 58 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.847 111.9 47.3 -54.2 -38.8 56.2 12.2 23.9 55 55 A I H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 3,-0.3 0.948 110.1 49.9 -70.7 -49.5 52.9 10.4 24.4 56 56 A Q H ><5S+ 0 0 103 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.884 109.0 52.8 -57.0 -41.3 54.3 7.6 26.5 57 57 A Q H 3<5S+ 0 0 153 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.869 104.5 55.8 -62.1 -35.5 56.0 10.1 28.7 58 58 A L T 3<5S- 0 0 93 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.425 130.7-102.9 -74.8 2.0 52.6 11.8 29.1 59 59 A G T < 5S+ 0 0 71 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.742 77.4 141.9 81.3 25.6 51.5 8.4 30.3 60 60 A G < - 0 0 19 -5,-2.7 2,-0.6 -8,-0.1 -1,-0.2 -0.524 53.3-121.3 -98.9 168.6 49.8 7.5 27.0 61 61 A Q + 0 0 85 -25,-0.5 -23,-2.9 -2,-0.2 2,-0.3 -0.922 47.4 148.0-110.0 115.3 49.5 4.4 24.9 62 62 A A E -c 38 0A 4 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.994 28.7-164.3-151.8 156.5 50.9 4.7 21.4 63 63 A F E -c 39 0A 47 -25,-1.9 -23,-3.2 -2,-0.3 2,-0.3 -0.962 20.8-128.7-137.2 151.5 52.6 2.8 18.5 64 64 A A E -c 40 0A 28 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.792 18.6-176.3-106.9 148.8 54.4 4.1 15.3 65 65 A C E -c 41 0A 18 -25,-2.2 -23,-1.7 -2,-0.3 2,-1.5 -0.942 22.6-143.5-145.6 115.4 53.8 3.1 11.7 66 66 A R E +c 42 0A 111 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.679 43.0 161.6 -79.3 91.3 55.9 4.3 8.8 67 67 A C - 0 0 4 -2,-1.5 2,-0.7 -25,-1.0 -49,-0.2 -0.960 36.1-153.7-119.5 134.9 53.0 4.5 6.3 68 68 A D > - 0 0 34 -2,-0.4 3,-1.4 1,-0.1 6,-0.2 -0.942 12.2-153.1-102.5 117.6 52.8 6.4 3.1 69 69 A I T 3 S+ 0 0 12 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.764 88.9 69.1 -64.2 -24.4 49.1 7.1 2.5 70 70 A T T 3 S+ 0 0 40 -3,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.339 86.4 81.8 -78.0 10.2 49.6 7.3 -1.3 71 71 A S <> - 0 0 23 -3,-1.4 4,-1.9 1,-0.1 5,-0.2 -0.961 64.2-156.9-119.7 119.2 50.3 3.5 -1.4 72 72 A E H > S+ 0 0 85 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.886 98.3 52.3 -56.8 -38.3 47.5 1.0 -1.4 73 73 A Q H > S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 109.7 46.1 -67.1 -42.0 49.8 -1.6 -0.0 74 74 A E H > S+ 0 0 59 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.759 108.5 58.7 -74.1 -22.1 51.0 0.6 2.9 75 75 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 108.1 42.6 -72.8 -44.3 47.4 1.6 3.7 76 76 A S H X S+ 0 0 46 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.811 112.9 55.4 -71.7 -24.7 46.2 -2.0 4.2 77 77 A A H X S+ 0 0 50 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.922 107.1 49.3 -68.1 -43.8 49.5 -2.6 6.1 78 78 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.916 111.3 50.7 -59.3 -45.8 48.6 0.3 8.4 79 79 A A H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.950 112.5 44.9 -59.4 -49.0 45.1 -1.2 8.8 80 80 A D H X S+ 0 0 117 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.910 112.7 50.9 -62.0 -44.2 46.6 -4.6 9.7 81 81 A F H X S+ 0 0 52 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.908 110.1 49.8 -60.9 -44.5 49.2 -3.2 12.1 82 82 A A H X>S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.6 0.911 110.3 47.6 -64.0 -46.3 46.6 -1.1 14.0 83 83 A I H X5S+ 0 0 48 -4,-2.0 4,-0.8 3,-0.2 -1,-0.2 0.825 115.7 47.7 -66.0 -27.8 44.1 -3.9 14.6 84 84 A S H <5S+ 0 0 82 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 120.7 34.8 -78.1 -42.9 47.0 -6.1 15.8 85 85 A K H <5S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.933 130.6 31.3 -75.5 -49.7 48.5 -3.5 18.1 86 86 A L H <5S- 0 0 22 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.761 95.5-133.3 -81.6 -28.5 45.3 -1.8 19.3 87 87 A G S < - 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