==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-DEC-11 3UZZ . COMPND 2 MOLECULE: 3-OXO-5-BETA-STEROID 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.CHEN,D.W.CHRISTIANSON,T.M.PENNING . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 31 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 0 5 3 2 2 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 2 2 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 0 PARALLEL BRIDGES PER LADDER . 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 2 A D 0 0 186 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -77.5 -6.1 4.4 13.1 2 3 A L + 0 0 33 5,-0.1 2,-0.3 3,-0.0 5,-0.2 -0.570 360.0 157.8 -80.8 131.1 -5.6 1.0 11.4 3 4 A S - 0 0 48 3,-2.1 3,-0.5 -2,-0.3 284,-0.1 -0.950 54.5-103.1-144.8 164.9 -8.6 -1.0 10.3 4 5 A A S S+ 0 0 51 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.883 124.1 40.8 -54.8 -40.1 -9.6 -3.7 7.9 5 6 A A S S+ 0 0 100 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.672 127.6 29.8 -83.7 -18.6 -11.3 -1.1 5.6 6 7 A S + 0 0 77 -3,-0.5 -3,-2.1 1,-0.1 -1,-0.3 -0.796 63.1 131.2-149.5 98.5 -8.6 1.5 6.1 7 8 A H + 0 0 8 -2,-0.3 12,-2.7 -5,-0.2 2,-0.4 -0.110 29.2 133.8-142.9 40.3 -5.0 0.7 6.7 8 9 A R E -A 18 0A 91 10,-0.3 8,-0.0 11,-0.1 -2,-0.0 -0.774 35.7-159.5 -92.1 138.9 -3.0 2.8 4.3 9 10 A I E -A 17 0A 25 8,-2.5 8,-2.7 -2,-0.4 -2,-0.0 -0.869 26.2 -91.3-120.2 153.6 0.1 4.7 5.6 10 11 A P E -A 16 0A 106 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.258 27.5-155.5 -70.5 142.1 1.8 7.7 4.1 11 12 A L > - 0 0 8 4,-3.1 3,-1.9 1,-0.0 202,-0.1 -0.837 31.6-113.0-106.7 155.1 4.8 7.5 1.7 12 13 A S T 3 S+ 0 0 42 200,-0.5 201,-0.1 -2,-0.3 4,-0.1 0.651 112.6 61.6 -68.5 -14.4 7.1 10.5 1.5 13 14 A D T 3 S- 0 0 35 174,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.277 124.2 -97.1 -91.1 11.0 6.1 11.4 -2.1 14 15 A G S < S+ 0 0 71 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.361 93.4 111.0 90.4 -7.9 2.5 12.0 -1.0 15 16 A N - 0 0 38 148,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.290 57.8-135.9 -83.9-179.8 1.3 8.5 -2.0 16 17 A S E -A 10 0A 41 -6,-0.3 -8,-0.0 -3,-0.1 -4,-0.0 -0.970 6.8-149.9-140.4 156.0 0.2 5.9 0.4 17 18 A I E -A 9 0A 1 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.1 -0.988 25.0-115.5-132.2 129.0 0.7 2.1 0.9 18 19 A P E -A 8 0A 0 0, 0.0 -10,-0.3 0, 0.0 30,-0.0 -0.444 27.0-133.7 -59.7 132.9 -1.6 -0.5 2.5 19 20 A I S S+ 0 0 2 -12,-2.7 250,-2.5 -2,-0.1 2,-0.4 0.639 89.7 42.8 -73.8 -15.0 0.2 -1.8 5.5 20 21 A I B +b 269 0B 0 248,-0.2 29,-0.6 -13,-0.2 2,-0.3 -0.991 68.7 166.2-124.8 141.5 -0.5 -5.4 4.6 21 22 A G - 0 0 0 248,-2.2 2,-0.6 -2,-0.4 30,-0.3 -0.902 38.2 -99.9-137.5 173.2 -0.2 -7.0 1.2 22 23 A L E -c 51 0B 0 28,-2.4 30,-2.7 -2,-0.3 250,-0.2 -0.868 30.4-144.0 -97.2 118.0 -0.1 -10.4 -0.4 23 24 A G E -cd 52 272B 5 248,-1.9 250,-0.5 -2,-0.6 30,-0.1 -0.452 11.3-167.1 -73.3 155.0 3.3 -11.8 -1.4 24 25 A T + 0 0 1 28,-0.6 2,-0.4 248,-0.1 30,-0.1 0.261 38.1 125.3-135.7 11.8 3.3 -13.9 -4.5 25 26 A Y + 0 0 76 27,-0.1 2,-0.3 28,-0.1 33,-0.1 -0.635 30.1 162.2 -72.9 131.5 6.6 -15.7 -4.8 26 27 A S - 0 0 16 -2,-0.4 5,-0.1 31,-0.3 10,-0.0 -0.973 50.1 -94.5-148.4 137.2 6.0 -19.4 -5.2 27 28 A E - 0 0 54 -2,-0.3 3,-0.1 1,-0.2 30,-0.0 -0.322 32.5-148.0 -51.3 112.6 8.4 -22.2 -6.5 28 29 A P S > S+ 0 0 54 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.868 92.6 61.0 -53.3 -42.0 7.5 -22.4 -10.2 29 30 A K T 3 S+ 0 0 167 1,-0.3 2,-0.3 3,-0.0 -2,-0.1 0.956 115.2 28.1 -47.4 -63.4 8.3 -26.1 -10.2 30 31 A S T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.2 -0.301 95.4 103.7-106.5 47.5 5.7 -27.1 -7.6 31 32 A T < - 0 0 32 -3,-1.2 3,-0.1 -2,-0.3 -5,-0.0 -0.983 68.9-124.6-126.8 122.7 3.0 -24.5 -8.1 32 33 A P > - 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.335 36.4-101.1 -58.8 139.9 -0.3 -25.3 -9.9 33 34 A K T 3 S+ 0 0 198 1,-0.2 26,-0.0 2,-0.1 0, 0.0 -0.388 109.4 23.4 -57.8 137.8 -1.0 -23.0 -12.8 34 35 A G T 3> S+ 0 0 26 -3,-0.1 4,-2.6 -2,-0.0 -1,-0.2 0.290 87.2 111.3 90.0 -11.6 -3.6 -20.5 -11.8 35 36 A A H <> S+ 0 0 21 -3,-1.8 4,-2.0 2,-0.2 -2,-0.1 0.874 79.3 49.0 -66.0 -38.2 -2.9 -20.7 -8.0 36 37 A C H > S+ 0 0 2 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.963 112.1 48.1 -63.4 -50.2 -1.5 -17.2 -7.9 37 38 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 112.3 49.1 -57.5 -46.6 -4.4 -15.7 -9.8 38 39 A T H X S+ 0 0 83 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.897 111.8 49.7 -59.0 -40.9 -6.9 -17.5 -7.5 39 40 A S H X S+ 0 0 5 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.907 107.7 51.6 -68.4 -43.0 -5.1 -16.3 -4.5 40 41 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.907 111.2 49.9 -61.7 -39.7 -4.9 -12.7 -5.5 41 42 A K H X S+ 0 0 35 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.949 112.0 46.1 -62.5 -48.3 -8.7 -12.8 -6.2 42 43 A V H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 111.8 52.9 -59.6 -45.0 -9.4 -14.3 -2.7 43 44 A A H X>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 4,-1.7 0.910 109.6 47.7 -56.1 -46.7 -7.1 -11.8 -1.1 44 45 A I H <5S+ 0 0 0 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.938 111.8 49.6 -63.1 -45.1 -8.9 -8.9 -2.8 45 46 A D H <5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.3 53.2 -56.7 -36.9 -12.3 -10.4 -1.7 46 47 A T H <5S- 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.828 129.3 -94.0 -70.0 -34.5 -10.8 -10.7 1.8 47 48 A G T <5S+ 0 0 15 -4,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.313 74.9 141.1 134.2 -5.7 -9.8 -7.0 1.9 48 49 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -27,-0.1 -0.413 19.3 175.1 -61.7 142.9 -6.2 -7.0 0.8 49 50 A R + 0 0 60 -29,-0.6 33,-2.4 1,-0.1 2,-0.4 0.171 59.6 71.9-133.3 10.9 -5.5 -3.9 -1.4 50 51 A H E - e 0 82B 2 -30,-0.2 -28,-2.4 31,-0.2 2,-0.4 -0.999 55.4-176.6-132.4 128.3 -1.7 -4.5 -1.8 51 52 A I E -ce 22 83B 0 31,-2.6 33,-2.2 -2,-0.4 2,-0.5 -0.997 11.3-154.8-124.7 133.1 -0.1 -7.2 -3.9 52 53 A D E +ce 23 84B 4 -30,-2.7 -28,-0.6 -2,-0.4 2,-0.2 -0.934 30.5 146.0-110.6 127.2 3.7 -7.7 -4.1 53 54 A G - 0 0 0 31,-2.9 2,-0.3 -2,-0.5 -28,-0.1 -0.755 30.6-152.4-144.1-175.8 5.1 -9.3 -7.2 54 55 A A > > - 0 0 0 -2,-0.2 3,-2.0 31,-0.2 5,-0.5 -0.887 27.6-125.6-165.5 139.6 8.0 -9.5 -9.6 55 56 A Y G > 5S+ 0 0 84 31,-0.5 3,-1.7 -2,-0.3 5,-0.3 0.839 110.1 61.6 -54.5 -34.0 8.3 -10.5 -13.2 56 57 A I G 3 5S+ 0 0 18 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.583 86.0 73.1 -77.0 -5.2 10.9 -13.1 -12.3 57 58 A Y G < 5S- 0 0 32 -3,-2.0 -1,-0.3 -30,-0.0 -31,-0.3 0.533 101.6-133.8 -79.6 -6.9 8.4 -15.0 -10.1 58 59 A Q T < 5S+ 0 0 134 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.607 86.4 82.1 68.6 17.7 7.0 -16.1 -13.5 59 60 A N >>< + 0 0 12 -5,-0.5 4,-1.9 2,-0.1 3,-0.9 0.227 44.1 114.2-133.6 14.6 3.4 -15.4 -12.4 60 61 A E H 3> S+ 0 0 2 -5,-0.3 4,-2.5 1,-0.3 5,-0.2 0.809 77.2 59.9 -60.5 -27.4 3.0 -11.7 -13.0 61 62 A H H 3> S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.875 104.6 48.9 -66.9 -36.0 0.5 -12.5 -15.8 62 63 A E H <> S+ 0 0 18 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.885 109.4 52.6 -68.8 -39.2 -1.7 -14.2 -13.2 63 64 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.968 111.6 45.7 -57.4 -53.5 -1.4 -11.2 -10.9 64 65 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.908 110.6 54.1 -54.0 -45.6 -2.6 -8.9 -13.6 65 66 A E H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 111.2 45.2 -56.5 -46.1 -5.4 -11.3 -14.6 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 113.8 48.0 -66.4 -46.9 -6.7 -11.3 -11.0 67 68 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 112.5 48.7 -59.9 -46.4 -6.5 -7.6 -10.5 68 69 A R H X S+ 0 0 74 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.870 108.2 54.3 -65.5 -35.6 -8.1 -6.8 -13.8 69 70 A E H X S+ 0 0 84 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.914 109.6 47.5 -63.0 -42.3 -11.0 -9.2 -13.1 70 71 A K H X>S+ 0 0 12 -4,-1.9 5,-2.2 2,-0.2 6,-1.1 0.830 113.7 47.4 -70.7 -32.8 -11.7 -7.5 -9.8 71 72 A I H ><5S+ 0 0 49 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.913 110.8 52.4 -70.5 -41.8 -11.6 -4.1 -11.4 72 73 A A H 3<5S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.7 46.3 -62.9 -37.3 -13.9 -5.3 -14.2 73 74 A E H 3<5S- 0 0 111 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.646 117.4-113.2 -82.8 -13.0 -16.5 -6.6 -11.9 74 75 A G T <<5S+ 0 0 62 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.1 0.677 78.7 126.7 93.6 19.4 -16.4 -3.5 -9.8 75 76 A K S > - 0 0 143 -2,-0.3 3,-2.2 -3,-0.1 4,-0.5 -0.699 40.2-104.1 -92.0 161.3 -11.1 0.7 -8.9 78 79 A R G >4 S+ 0 0 31 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.892 122.0 57.2 -50.8 -44.8 -7.6 0.7 -10.2 79 80 A E G 34 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.598 98.7 62.3 -66.1 -9.6 -6.6 3.5 -7.7 80 81 A D G <4 S+ 0 0 44 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.588 93.9 73.8 -88.8 -14.9 -7.8 1.2 -4.8 81 82 A I << - 0 0 0 -3,-1.7 2,-0.6 -4,-0.5 -31,-0.2 -0.845 65.4-157.5-105.0 138.8 -5.2 -1.5 -5.6 82 83 A F E -e 50 0B 4 -33,-2.4 -31,-2.6 -2,-0.4 2,-0.5 -0.958 12.3-174.7-117.8 112.4 -1.5 -1.1 -4.9 83 84 A Y E -e 51 0B 0 -2,-0.6 32,-2.0 -33,-0.2 31,-1.0 -0.938 6.9-163.2-111.3 130.6 0.9 -3.3 -6.9 84 85 A C E -ef 52 115B 0 -33,-2.2 -31,-2.9 -2,-0.5 2,-0.2 -0.958 11.4-179.6-111.8 122.8 4.6 -3.4 -6.3 85 86 A G E - f 0 116B 0 30,-2.5 32,-2.0 -2,-0.5 2,-0.4 -0.666 15.3-133.4-113.7 174.1 6.9 -4.8 -9.0 86 87 A K E - f 0 117B 4 30,-0.2 2,-0.7 -2,-0.2 -31,-0.5 -0.989 7.5-136.2-141.1 135.9 10.7 -5.3 -9.0 87 88 A L E - f 0 118B 0 30,-2.9 32,-2.5 -2,-0.4 33,-0.5 -0.797 35.7-138.1 -89.6 115.0 13.6 -4.7 -11.3 88 89 A W > - 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