==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-OCT-08 2ZTU . COMPND 2 MOLECULE: D(-)-3-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FRAGI; . AUTHOR K.NAKASHIMA,Y.NAKAJIMA,K.ITO,T.YOSHIMOTO . 925 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 12.8 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 . 1 0.1 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 1 0 1 0 7 5 0 0 7 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 10 1 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 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 1 0 3 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 0 143 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 155.2 -27.5 -27.6 -33.3 2 2 A L > + 0 0 8 25,-3.9 3,-2.4 22,-0.2 28,-0.3 -0.030 360.0 163.0-125.0 27.9 -25.7 -25.8 -36.2 3 3 A K T 3 S+ 0 0 163 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.188 71.1 17.9 -50.0 136.0 -26.0 -28.6 -38.8 4 4 A G T 3 S+ 0 0 58 24,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.449 101.8 120.9 79.8 -1.3 -25.3 -27.2 -42.3 5 5 A K < - 0 0 51 -3,-2.4 25,-3.2 23,-0.2 2,-0.5 -0.735 52.5-146.4 -99.8 147.7 -23.7 -24.1 -40.8 6 6 A V E -a 30 0A 1 -2,-0.3 79,-3.1 23,-0.2 80,-2.4 -0.948 14.1-171.0-115.0 126.5 -20.2 -22.9 -41.5 7 7 A A E -ab 31 86A 0 23,-2.5 25,-1.7 -2,-0.5 2,-0.5 -0.951 9.6-158.9-120.3 137.6 -18.2 -21.0 -38.9 8 8 A V E -ab 32 87A 0 78,-2.9 80,-3.1 -2,-0.4 2,-0.5 -0.963 10.0-171.7-113.4 125.1 -14.8 -19.3 -39.3 9 9 A V E > - b 0 88A 0 23,-2.0 3,-0.8 -2,-0.5 25,-0.4 -0.959 13.3-145.7-121.6 114.4 -12.8 -18.8 -36.1 10 10 A T T 3 S+ 0 0 4 78,-2.6 80,-0.2 -2,-0.5 25,-0.1 -0.513 85.1 14.0 -76.4 145.7 -9.7 -16.6 -36.3 11 11 A G T 3 S+ 0 0 13 -2,-0.2 6,-0.5 79,-0.2 3,-0.4 0.906 82.4 142.3 56.9 44.5 -6.9 -17.7 -34.0 12 12 A S < + 0 0 0 22,-2.1 23,-0.2 -3,-0.8 -1,-0.1 0.242 38.5 94.2 -99.3 11.5 -8.5 -21.0 -33.4 13 13 A T S S- 0 0 23 21,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.517 99.3 -3.5 -80.8 -3.4 -5.3 -23.1 -33.4 14 14 A S S >> S+ 0 0 73 -3,-0.4 4,-1.7 23,-0.1 3,-0.7 -0.981 106.8 8.4-170.5 175.6 -5.1 -22.8 -29.6 15 15 A G H 3> S- 0 0 46 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.000 119.3 -3.7 44.8-133.7 -6.5 -21.4 -26.4 16 16 A I H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 134.3 53.3 -57.7 -44.4 -9.8 -19.6 -26.5 17 17 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.5 -5,-0.3 0.907 110.4 47.1 -60.4 -42.9 -10.2 -19.8 -30.3 18 18 A L H X S+ 0 0 43 -4,-1.7 4,-2.6 -7,-0.3 -1,-0.2 0.875 109.6 54.3 -65.9 -38.1 -9.7 -23.6 -30.2 19 19 A G H X S+ 0 0 7 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.879 112.7 43.7 -63.4 -36.7 -12.2 -23.9 -27.4 20 20 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.871 112.8 49.6 -76.6 -39.4 -14.8 -22.0 -29.4 21 21 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.918 113.3 48.5 -64.4 -42.3 -14.1 -23.9 -32.7 22 22 A T H X S+ 0 0 48 -4,-2.6 4,-2.4 2,-0.2 3,-0.3 0.949 110.4 49.6 -61.4 -51.5 -14.4 -27.2 -30.8 23 23 A A H < S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.6 48.5 -57.1 -38.8 -17.6 -26.2 -29.1 24 24 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-0.7 0.797 109.0 52.9 -72.8 -29.1 -19.1 -25.1 -32.4 25 25 A A H ><5S+ 0 0 0 -4,-1.7 3,-2.5 -3,-0.3 -2,-0.2 0.895 101.3 59.8 -71.5 -39.4 -18.0 -28.4 -34.1 26 26 A A T 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.565 101.4 57.5 -64.4 -7.7 -19.7 -30.4 -31.4 27 27 A Q T < 5S- 0 0 49 -3,-0.7 -25,-3.9 -5,-0.2 -24,-0.3 0.286 125.8-100.8-104.6 5.7 -22.9 -28.6 -32.5 28 28 A G T < 5S+ 0 0 21 -3,-2.5 -24,-0.7 1,-0.3 -23,-0.2 0.507 74.4 142.0 90.1 5.0 -22.6 -29.9 -36.1 29 29 A A < - 0 0 0 -5,-1.8 -1,-0.3 -26,-0.2 -23,-0.2 -0.566 53.0-121.5 -82.1 143.2 -21.1 -26.7 -37.6 30 30 A D E -a 6 0A 41 -25,-3.2 -23,-2.5 -28,-0.3 2,-0.4 -0.530 36.8-143.8 -75.4 152.4 -18.4 -27.1 -40.3 31 31 A I E -ac 7 57A 0 25,-2.5 27,-2.6 -25,-0.2 2,-0.5 -0.934 24.0-162.3-130.2 148.0 -15.3 -25.2 -39.3 32 32 A V E -ac 8 58A 0 -25,-1.7 -23,-2.0 -2,-0.4 27,-0.2 -0.974 23.7-157.7-122.9 109.6 -12.5 -23.1 -40.8 33 33 A L E + c 0 59A 1 25,-3.5 27,-2.4 -2,-0.5 2,-0.3 -0.498 13.7 177.6 -85.8 159.0 -9.5 -23.0 -38.4 34 34 A N + 0 0 3 -25,-0.4 -22,-2.1 25,-0.2 -21,-0.9 -0.980 25.8 74.2-158.9 152.1 -6.9 -20.2 -38.5 35 35 A G - 0 0 8 25,-0.5 2,-0.1 -2,-0.3 -2,-0.0 -0.695 61.3 -82.2 130.7 177.0 -3.8 -19.2 -36.6 36 36 A F + 0 0 123 -2,-0.2 2,-0.3 6,-0.0 -2,-0.1 -0.356 59.7 93.3-111.0-171.2 -0.2 -20.2 -36.0 37 37 A G S S- 0 0 69 -2,-0.1 2,-0.5 -23,-0.0 -23,-0.1 -0.943 83.2 -4.8 126.6-148.9 1.8 -22.7 -34.0 38 38 A D > - 0 0 95 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.736 54.9-148.2 -87.9 122.4 3.1 -26.1 -34.9 39 39 A A H > S+ 0 0 76 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.890 97.7 49.7 -53.7 -48.0 1.9 -27.4 -38.3 40 40 A A H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 113.6 46.6 -60.9 -41.4 1.8 -31.1 -37.3 41 41 A E H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.900 110.4 53.2 -67.4 -40.0 -0.2 -30.2 -34.2 42 42 A I H X S+ 0 0 13 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.914 110.0 47.6 -61.2 -43.0 -2.5 -28.0 -36.2 43 43 A E H X S+ 0 0 94 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.932 110.1 52.2 -64.6 -43.9 -3.2 -30.9 -38.6 44 44 A K H X S+ 0 0 146 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.937 113.0 45.7 -56.4 -46.8 -3.8 -33.3 -35.8 45 45 A V H X S+ 0 0 39 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.952 114.4 47.3 -60.5 -52.3 -6.3 -30.8 -34.3 46 46 A R H X S+ 0 0 58 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.919 118.0 39.6 -56.6 -51.4 -8.0 -30.2 -37.7 47 47 A A H X S+ 0 0 36 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.887 113.3 58.0 -67.5 -38.2 -8.3 -33.8 -38.6 48 48 A G H X S+ 0 0 36 -4,-2.5 4,-2.0 -5,-0.4 -2,-0.2 0.857 108.3 43.9 -60.7 -38.8 -9.2 -34.7 -35.1 49 49 A L H X S+ 0 0 11 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.895 112.2 52.2 -73.5 -42.3 -12.2 -32.4 -34.9 50 50 A A H X>S+ 0 0 21 -4,-1.8 4,-1.2 -5,-0.2 5,-1.1 0.911 116.9 38.9 -60.5 -44.4 -13.5 -33.4 -38.3 51 51 A A H <5S+ 0 0 85 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.914 116.6 49.8 -73.4 -44.2 -13.5 -37.1 -37.5 52 52 A Q H <5S+ 0 0 148 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.737 125.5 26.4 -69.3 -23.4 -14.6 -36.7 -33.9 53 53 A H H <5S- 0 0 57 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.460 101.5-121.0-119.0 -4.0 -17.6 -34.5 -34.8 54 54 A G T <5 + 0 0 67 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.945 69.4 118.0 64.1 50.6 -18.4 -35.5 -38.3 55 55 A V S - 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