==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 11-JUN-12 4FJ1 . COMPND 2 MOLECULE: 17BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COCHLIOBOLUS LUNATUS; . AUTHOR A.CASSETTA,D.LAMBA,I.KRASTANOVA . 1039 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 12.3 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 . 54 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.7 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 3 0 1 2 2 8 4 8 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 8 8 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 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 4 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 10 A T 0 0 160 0, 0.0 2,-0.2 0, 0.0 550,-0.1 0.000 360.0 360.0 360.0 149.8 -3.0 -13.0 51.5 2 11 A Y - 0 0 63 548,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.394 360.0-165.3 -73.7 132.2 -4.2 -11.4 48.3 3 12 A I - 0 0 106 -2,-0.2 3,-0.5 522,-0.0 2,-0.1 -0.952 17.9-144.3-119.5 110.2 -5.7 -13.5 45.5 4 13 A P + 0 0 25 0, 0.0 521,-0.1 0, 0.0 236,-0.0 -0.403 61.9 7.6 -79.4 147.3 -6.0 -11.7 42.1 5 14 A G S S+ 0 0 10 1,-0.2 2,-0.1 -2,-0.1 237,-0.1 0.696 73.4 157.6 74.4 29.7 -8.6 -11.9 39.4 6 15 A R - 0 0 102 -3,-0.5 238,-0.4 1,-0.1 27,-0.2 -0.427 31.6-156.9 -90.4 164.5 -11.4 -14.1 40.8 7 16 A L > + 0 0 6 25,-3.5 3,-2.2 22,-0.2 28,-0.2 -0.077 27.6 160.6-132.0 29.8 -15.0 -14.1 39.7 8 17 A D T 3 S+ 0 0 100 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.336 73.3 17.6 -61.8 133.7 -16.9 -15.5 42.7 9 18 A G T 3 S+ 0 0 58 24,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.261 102.5 119.2 88.0 -11.8 -20.6 -14.6 42.5 10 19 A K < - 0 0 96 -3,-2.2 25,-2.6 23,-0.1 2,-0.4 -0.520 54.1-145.3 -89.3 156.2 -20.4 -13.9 38.7 11 20 A V E -a 35 0A 2 23,-0.2 78,-2.4 -2,-0.2 79,-2.0 -0.983 19.2-172.3-121.5 130.8 -22.2 -15.6 35.9 12 21 A A E -ab 36 90A 0 23,-3.2 25,-2.6 -2,-0.4 2,-0.4 -0.879 12.9-158.3-123.5 152.2 -20.4 -16.0 32.5 13 22 A L E -ab 37 91A 0 77,-2.0 79,-3.4 -2,-0.3 2,-0.4 -0.997 8.2-171.6-129.3 134.2 -21.5 -17.2 29.0 14 23 A V E > -ab 38 92A 0 23,-2.1 25,-1.9 -2,-0.4 3,-0.7 -0.986 17.3-138.1-128.7 120.4 -19.0 -18.6 26.4 15 24 A T T 3 S+ 0 0 0 77,-2.5 79,-0.2 -2,-0.4 25,-0.1 -0.551 86.5 9.2 -77.6 139.7 -20.1 -19.3 22.8 16 25 A G T 3 S+ 0 0 19 -2,-0.2 3,-0.4 78,-0.1 6,-0.4 0.918 80.7 146.6 60.3 46.1 -18.7 -22.5 21.3 17 26 A S < + 0 0 0 22,-2.5 23,-0.2 -3,-0.7 10,-0.1 0.123 40.0 93.6-106.0 20.5 -17.3 -23.8 24.6 18 27 A G S S- 0 0 6 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.780 101.4 -5.4 -73.3 -28.0 -17.8 -27.5 24.0 19 28 A R S >> S+ 0 0 122 -3,-0.4 4,-0.9 31,-0.0 3,-0.6 -0.937 105.9 21.4-157.7 172.9 -14.2 -27.7 22.7 20 29 A G H 3> S- 0 0 26 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 -0.203 118.6 -15.6 63.0-145.0 -11.0 -25.9 21.7 21 30 A I H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 136.9 57.6 -59.4 -43.5 -10.3 -22.4 23.0 22 31 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.4 -5,-0.3 0.874 103.7 53.2 -56.0 -41.1 -13.9 -22.0 24.2 23 32 A A H X S+ 0 0 18 -4,-0.9 4,-2.5 -3,-0.4 -1,-0.2 0.927 110.4 45.7 -61.0 -47.9 -13.7 -25.1 26.4 24 33 A A H X S+ 0 0 19 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.872 112.8 51.4 -65.9 -38.0 -10.6 -23.9 28.2 25 34 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.967 111.0 47.6 -61.5 -51.1 -12.1 -20.4 28.6 26 35 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.928 114.4 45.7 -57.5 -48.4 -15.3 -21.8 30.1 27 36 A V H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 113.3 50.9 -61.0 -41.4 -13.5 -24.2 32.5 28 37 A H H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.882 107.0 51.3 -66.6 -40.6 -11.1 -21.4 33.5 29 38 A L H <>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.902 111.7 49.9 -63.7 -38.3 -13.9 -18.9 34.3 30 39 A G H ><5S+ 0 0 3 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.887 107.2 53.4 -61.8 -41.6 -15.4 -21.6 36.5 31 40 A R H 3<5S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.828 105.3 55.1 -63.4 -33.3 -12.0 -22.2 38.2 32 41 A L T 3<5S- 0 0 24 -4,-1.9 -25,-3.5 -5,-0.1 -24,-0.4 0.532 131.4 -95.7 -77.9 -6.9 -12.0 -18.4 38.9 33 42 A G T < 5S+ 0 0 13 -3,-1.2 -24,-0.8 1,-0.3 -3,-0.2 0.371 79.0 135.2 114.0 -1.7 -15.4 -18.9 40.6 34 43 A A < - 0 0 0 -5,-2.6 2,-0.3 -26,-0.2 -1,-0.3 -0.453 55.2-125.9 -75.8 147.9 -17.9 -18.0 37.9 35 44 A K E -a 11 0A 86 -25,-2.6 -23,-3.2 -28,-0.2 2,-0.4 -0.764 38.7-145.3 -82.1 142.4 -21.0 -19.9 37.1 36 45 A V E -ac 12 61A 0 24,-2.3 26,-1.8 -2,-0.3 2,-0.6 -0.941 22.6-153.2-127.3 133.1 -20.9 -20.7 33.4 37 46 A V E -ac 13 62A 0 -25,-2.6 -23,-2.1 -2,-0.4 2,-0.9 -0.913 22.7-155.3 -95.8 116.1 -23.3 -21.1 30.5 38 47 A V E -ac 14 63A 0 24,-3.3 26,-2.3 -2,-0.6 2,-0.3 -0.844 10.5-164.1 -98.1 102.3 -21.6 -23.5 28.1 39 48 A N E + c 0 64A 1 -25,-1.9 -22,-2.5 -2,-0.9 -21,-0.4 -0.659 15.1 164.3 -88.6 142.8 -23.0 -22.9 24.6 40 49 A Y E - c 0 65A 32 24,-1.3 26,-2.5 -2,-0.3 4,-0.0 -0.937 29.0-160.8-145.2 165.9 -22.4 -25.4 21.7 41 50 A A S S- 0 0 36 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.637 90.1 -7.6-116.1 -35.8 -23.9 -26.0 18.3 42 51 A N S S+ 0 0 140 24,-0.1 2,-2.1 1,-0.0 3,-0.2 0.557 108.6 86.7-132.8 -33.9 -23.0 -29.7 17.5 43 52 A S > + 0 0 28 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.403 44.7 156.7 -83.9 68.5 -20.6 -31.0 20.2 44 53 A T H > S+ 0 0 60 -2,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.942 72.0 44.9 -57.5 -53.6 -23.2 -32.2 22.8 45 54 A K H > S+ 0 0 158 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 113.9 49.6 -63.5 -43.3 -21.0 -34.7 24.6 46 55 A D H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 108.6 53.4 -61.0 -43.4 -18.0 -32.4 24.8 47 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.900 108.6 50.1 -57.3 -42.1 -20.2 -29.6 26.2 48 57 A E H X S+ 0 0 117 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.888 107.5 53.6 -67.0 -37.7 -21.4 -31.9 28.9 49 58 A K H X S+ 0 0 129 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 110.1 47.9 -57.8 -44.6 -17.8 -32.8 29.8 50 59 A V H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 111.2 50.3 -62.5 -47.0 -17.0 -29.1 30.2 51 60 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.9 48.6 -51.2 -52.0 -20.2 -28.6 32.4 52 61 A S H X S+ 0 0 74 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.870 109.1 52.2 -58.5 -40.9 -19.0 -31.6 34.5 53 62 A E H X S+ 0 0 94 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.895 108.8 50.4 -65.1 -39.9 -15.5 -30.2 34.9 54 63 A I H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -2,-0.2 0.916 110.8 48.7 -66.6 -42.3 -16.9 -26.8 36.0 55 64 A K H ><5S+ 0 0 109 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.879 108.1 56.1 -61.1 -36.3 -19.1 -28.6 38.6 56 65 A A H 3<5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.870 100.4 57.9 -65.6 -39.2 -16.0 -30.6 39.7 57 66 A L T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.466 128.4-100.5 -65.5 -6.6 -14.1 -27.3 40.3 58 67 A G T < 5S+ 0 0 70 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.2 0.629 90.8 100.3 97.3 16.0 -16.9 -26.4 42.8 59 68 A S < - 0 0 19 -5,-2.1 2,-0.3 -25,-0.0 -1,-0.3 -0.391 68.3-107.3-114.6-166.8 -18.9 -24.1 40.6 60 69 A D + 0 0 56 -26,-0.2 -24,-2.3 -2,-0.1 2,-0.3 -0.947 33.5 168.6-128.6 152.4 -22.1 -24.5 38.5 61 70 A A E -c 36 0A 3 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.990 16.6-159.7-157.1 158.3 -22.7 -24.7 34.8 62 71 A I E -c 37 0A 50 -26,-1.8 -24,-3.3 -2,-0.3 2,-0.4 -0.993 18.9-132.7-140.8 142.9 -25.3 -25.6 32.2 63 72 A A E -c 38 0A 29 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.836 23.7-174.6 -94.4 131.4 -25.0 -26.5 28.5 64 73 A I E -c 39 0A 15 -26,-2.3 -24,-1.3 -2,-0.4 2,-0.4 -0.968 17.9-138.6-131.6 119.7 -27.3 -24.7 26.0 65 74 A K E +c 40 0A 135 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.585 36.0 151.9 -71.6 126.7 -27.5 -25.5 22.3 66 75 A A - 0 0 3 -26,-2.5 2,-0.9 -2,-0.4 -24,-0.1 -0.894 43.1-133.8-156.7 132.5 -27.6 -22.5 20.0 67 76 A D > - 0 0 55 -2,-0.3 3,-2.2 1,-0.2 6,-0.3 -0.737 18.4-156.3 -83.1 108.5 -26.6 -21.9 16.4 68 77 A I T 3 S+ 0 0 6 -2,-0.9 -1,-0.2 1,-0.3 56,-0.1 0.605 87.7 70.1 -70.3 -10.2 -24.8 -18.6 16.6 69 78 A R T 3 S+ 0 0 68 1,-0.1 2,-0.8 52,-0.0 -1,-0.3 0.726 89.4 73.2 -69.6 -22.4 -25.4 -17.9 12.9 70 79 A Q X> - 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