==== 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 07-OCT-08 2ZTL . COMPND 2 MOLECULE: D(-)-3-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FRAGI; . AUTHOR K.NAKASHIMA,Y.NAKAJIMA,K.ITO,T.YOSHIMOTO . 1040 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 12.6 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 . 67 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 3.3 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 0 0 0 6 10 1 3 8 0 4 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 9 11 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 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 1 A M 0 0 176 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 151.6 -27.6 27.2 33.5 2 2 A L > + 0 0 10 25,-4.1 3,-2.1 22,-0.2 28,-0.3 0.013 360.0 156.0-122.2 27.0 -25.7 25.6 36.4 3 3 A K T 3 S+ 0 0 135 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.275 71.1 21.2 -58.3 134.8 -25.8 28.4 39.0 4 4 A G T 3 S+ 0 0 52 24,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.395 101.3 114.6 88.2 -4.8 -25.4 27.0 42.5 5 5 A K < - 0 0 57 -3,-2.1 25,-2.8 23,-0.2 2,-0.5 -0.679 56.6-141.6-100.6 153.3 -23.8 23.7 41.3 6 6 A V E -a 30 0A 1 -2,-0.2 79,-2.5 23,-0.2 80,-2.3 -0.972 14.9-169.3-117.3 126.7 -20.2 22.5 41.9 7 7 A A E -ab 31 86A 0 23,-2.6 25,-2.6 -2,-0.5 2,-0.6 -0.962 9.5-158.9-114.2 130.4 -18.2 20.8 39.2 8 8 A V E -ab 32 87A 0 78,-2.6 80,-3.3 -2,-0.4 2,-0.5 -0.940 12.5-171.0-102.9 122.9 -14.9 19.0 39.7 9 9 A V E > - b 0 88A 0 23,-2.3 3,-0.7 -2,-0.6 25,-0.4 -0.945 12.8-145.3-117.9 107.7 -13.0 18.6 36.4 10 10 A T T 3 S+ 0 0 5 78,-2.5 25,-0.1 -2,-0.5 23,-0.0 -0.427 82.4 10.3 -70.4 146.7 -9.9 16.4 36.5 11 11 A G T 3 S+ 0 0 13 79,-0.2 6,-0.5 1,-0.1 3,-0.4 0.901 81.5 143.8 48.7 49.5 -6.9 17.5 34.3 12 12 A S < + 0 0 0 22,-1.8 23,-0.2 -3,-0.7 -1,-0.1 0.166 42.8 89.3-103.1 13.1 -8.5 20.9 33.6 13 13 A T S S+ 0 0 23 21,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.644 100.7 12.0 -75.6 -13.5 -5.3 22.9 33.6 14 14 A S S >> S- 0 0 62 -3,-0.4 4,-1.6 23,-0.1 3,-0.6 -0.935 108.3 -6.6-152.6 163.2 -4.9 22.2 29.8 15 15 A G H 3> S- 0 0 24 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.050 117.9 -2.2 57.6-139.8 -6.6 20.9 26.7 16 16 A I H 3> S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 131.8 55.4 -57.9 -42.4 -10.0 19.3 26.8 17 17 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.5 -5,-0.3 0.880 107.5 49.1 -62.2 -37.8 -10.4 19.6 30.6 18 18 A L H X S+ 0 0 46 -4,-1.6 4,-2.8 -7,-0.3 5,-0.2 0.932 110.5 52.0 -69.1 -42.6 -9.8 23.3 30.5 19 19 A G H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.884 112.9 45.0 -56.4 -41.6 -12.4 23.7 27.7 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.930 112.9 48.4 -72.1 -46.5 -14.9 21.8 29.8 21 21 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.915 112.9 50.4 -54.1 -47.3 -14.2 23.6 33.0 22 22 A T H X S+ 0 0 52 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.945 110.5 48.5 -58.2 -54.1 -14.5 26.9 31.1 23 23 A A H < S+ 0 0 20 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.872 113.7 46.9 -52.8 -42.2 -17.8 25.9 29.5 24 24 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-1.0 0.902 110.0 52.3 -71.2 -40.3 -19.2 24.9 32.9 25 25 A A H ><5S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.913 104.2 58.6 -57.6 -44.4 -18.0 28.1 34.6 26 26 A A T 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.664 101.5 55.2 -60.2 -18.4 -19.8 30.1 31.9 27 27 A Q T < 5S- 0 0 49 -3,-1.0 -25,-4.1 -4,-0.5 -24,-0.4 0.293 128.0 -98.1 -97.7 6.0 -23.0 28.4 32.9 28 28 A G T < 5S+ 0 0 5 -3,-2.2 -24,-0.8 1,-0.3 -23,-0.2 0.548 74.0 145.8 91.8 8.6 -22.6 29.6 36.5 29 29 A A < - 0 0 0 -5,-2.0 -1,-0.3 -26,-0.2 -23,-0.2 -0.587 51.3-123.3 -79.3 139.8 -21.1 26.4 38.1 30 30 A D E -a 6 0A 44 -25,-2.8 -23,-2.6 -28,-0.3 2,-0.4 -0.595 38.6-144.7 -70.1 149.0 -18.4 26.8 40.8 31 31 A I E -ac 7 57A 0 25,-2.7 27,-2.7 -2,-0.2 2,-0.6 -0.958 23.9-159.0-129.3 134.2 -15.3 24.9 39.6 32 32 A V E -ac 8 58A 0 -25,-2.6 -23,-2.3 -2,-0.4 2,-0.2 -0.963 24.8-158.8-104.3 116.1 -12.5 22.7 41.2 33 33 A L E + c 0 59A 0 25,-3.7 27,-2.7 -2,-0.6 2,-0.3 -0.577 14.8 173.9 -88.3 158.8 -9.6 22.7 38.7 34 34 A N + 0 0 3 -25,-0.4 -22,-1.8 -2,-0.2 -21,-1.0 -0.977 23.3 76.0-161.9 152.5 -6.9 20.0 38.8 35 35 A G - 0 0 7 25,-0.4 2,-0.1 -2,-0.3 -2,-0.0 -0.706 62.5 -79.4 128.7-177.2 -3.8 19.0 36.8 36 36 A F + 0 0 123 -2,-0.2 2,-0.3 6,-0.0 -2,-0.1 -0.339 60.6 93.2-115.9-170.8 -0.3 20.0 36.2 37 37 A G S S- 0 0 69 -2,-0.1 2,-0.5 -23,-0.0 3,-0.1 -0.917 82.0 -6.6 123.0-152.3 1.7 22.6 34.2 38 38 A D > - 0 0 83 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.723 54.3-147.1 -88.3 124.2 3.1 26.0 35.1 39 39 A A H > S+ 0 0 77 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.876 98.2 50.3 -59.2 -39.3 1.9 27.2 38.5 40 40 A A H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 112.9 46.2 -65.7 -43.3 1.8 30.9 37.4 41 41 A E H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.884 111.1 53.5 -61.4 -40.1 -0.3 30.1 34.3 42 42 A I H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 108.8 48.6 -63.7 -42.9 -2.6 27.8 36.4 43 43 A E H X S+ 0 0 98 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.928 109.8 51.8 -63.9 -40.6 -3.2 30.7 38.9 44 44 A K H X S+ 0 0 157 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 47.0 -59.3 -45.5 -4.0 33.1 35.9 45 45 A V H X S+ 0 0 42 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.947 114.9 45.4 -58.3 -49.5 -6.5 30.5 34.6 46 46 A R H X S+ 0 0 56 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.917 118.2 40.6 -62.7 -52.0 -8.1 29.9 38.0 47 47 A A H X S+ 0 0 36 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.890 114.8 55.5 -63.7 -41.3 -8.4 33.7 39.0 48 48 A G H X S+ 0 0 21 -4,-2.4 4,-2.7 -5,-0.4 -2,-0.2 0.925 109.2 44.0 -56.8 -52.6 -9.4 34.5 35.4 49 49 A L H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 6,-0.4 0.934 113.7 51.7 -59.0 -46.7 -12.4 32.0 35.3 50 50 A A H X>S+ 0 0 21 -4,-2.0 4,-1.2 -5,-0.2 5,-1.0 0.944 116.4 39.6 -54.8 -51.0 -13.5 33.1 38.8 51 51 A A H <5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.5 51.2 -69.0 -40.3 -13.5 36.8 37.8 52 52 A Q H <5S+ 0 0 145 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 124.2 25.2 -66.5 -37.3 -14.9 36.3 34.3 53 53 A H H <5S- 0 0 55 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.408 100.6-121.1-114.2 -0.2 -17.9 34.2 35.3 54 54 A G T <5 + 0 0 60 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.871 70.0 123.7 61.7 39.0 -18.5 35.3 38.9 55 55 A V < - 0 0 11 -5,-1.0 2,-0.4 -6,-0.4 -1,-0.2 -0.812 68.6 -99.0-122.2 165.1 -18.1 31.8 40.3 56 56 A K - 0 0 102 -2,-0.3 -25,-2.7 -3,-0.1 2,-0.4 -0.698 38.7-170.2 -81.6 136.3 -15.8 30.3 42.9 57 57 A V E -c 31 0A 6 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.987 3.6-174.7-134.8 121.6 -12.8 28.4 41.4 58 58 A L E -c 32 0A 26 -27,-2.7 -25,-3.7 -2,-0.4 2,-0.5 -0.833 14.8-144.7-110.6 145.9 -10.4 26.3 43.5 59 59 A Y E -c 33 0A 77 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.979 15.8-179.9-110.0 127.2 -7.2 24.6 42.3 60 60 A D - 0 0 32 -27,-2.7 -25,-0.4 -2,-0.5 -2,-0.0 -0.962 13.2-161.6-124.0 115.1 -6.4 21.2 43.8 61 61 A G + 0 0 29 -2,-0.5 -27,-0.1 -27,-0.2 -1,-0.0 0.088 30.8 157.3 -82.5 22.0 -3.1 19.7 42.4 62 62 A A - 0 0 17 1,-0.1 2,-0.8 7,-0.1 -27,-0.2 -0.173 45.3-127.2 -53.5 137.3 -3.8 16.1 43.5 63 63 A D > - 0 0 52 1,-0.1 3,-1.6 -29,-0.1 6,-0.2 -0.808 18.9-157.4 -91.1 107.8 -1.8 13.6 41.4 64 64 A L T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.430 78.1 85.3 -80.3 6.2 -4.6 11.3 40.2 65 65 A S T 3 S+ 0 0 57 1,-0.1 2,-0.5 51,-0.1 -1,-0.3 0.592 84.2 71.5 -70.8 -12.1 -2.3 8.3 39.6 66 66 A K S <> S- 0 0 119 -3,-1.6 4,-1.8 1,-0.1 3,-0.5 -0.934 76.4-149.2-109.9 117.8 -2.9 7.6 43.4 67 67 A G H > S+ 0 0 19 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.870 98.2 53.3 -53.0 -42.9 -6.4 6.4 44.3 68 68 A E H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 107.6 52.3 -61.2 -37.4 -6.3 8.0 47.8 69 69 A A H > S+ 0 0 29 -3,-0.5 4,-2.2 -6,-0.2 -1,-0.2 0.865 108.3 50.8 -65.0 -36.1 -5.4 11.3 46.1 70 70 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.934 112.3 45.5 -68.1 -44.5 -8.4 11.0 43.8 71 71 A R H X S+ 0 0 43 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.881 111.6 54.1 -65.5 -35.1 -10.8 10.3 46.6 72 72 A G H X S+ 0 0 34 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.874 104.0 55.6 -63.3 -41.4 -9.1 13.2 48.5 73 73 A L H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.908 112.6 41.5 -55.1 -46.4 -9.8 15.5 45.6 74 74 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.966 115.6 48.9 -70.4 -50.7 -13.5 14.7 45.7 75 75 A D H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.871 113.7 46.4 -59.0 -38.8 -13.8 14.8 49.5 76 76 A N H X S+ 0 0 35 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.792 107.2 58.2 -74.7 -28.8 -12.0 18.2 49.8 77 77 A A H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.3 5,-0.4 0.938 108.9 45.3 -62.4 -44.1 -14.1 19.6 47.0 78 78 A V H X S+ 0 0 26 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.952 115.0 49.1 -64.2 -46.0 -17.2 18.8 49.1 79 79 A R H < S+ 0 0 174 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 122.2 30.8 -55.4 -54.2 -15.4 20.3 52.2 80 80 A Q H < S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.747 128.7 36.9 -79.7 -26.8 -14.3 23.5 50.5 81 81 A M H < S- 0 0 19 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.588 100.6-122.7-107.3 -16.6 -17.2 24.0 48.0 82 82 A G S < S+ 0 0 64 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.047 79.0 6.3 102.4 -23.0 -20.1 22.7 50.0 83 83 A R - 0 0 86 -6,-0.4 2,-0.3 -78,-0.0 -2,-0.1 -0.956 63.6-122.9-172.5 170.4 -21.3 20.0 47.6 84 84 A I + 0 0 0 -2,-0.3 -77,-0.2 41,-0.1 48,-0.1 -0.932 30.6 159.6-136.8 116.3 -20.4 18.1 44.4 85 85 A D + 0 0 1 -79,-2.5 51,-1.6 -2,-0.3 2,-0.4 0.779 68.9 31.7-100.0 -36.8 -23.0 18.1 41.5 86 86 A I E -bd 7 136A 0 -80,-2.3 -78,-2.6 49,-0.2 2,-0.5 -0.993 58.2-169.5-131.2 127.5 -20.9 17.3 38.5 87 87 A L E -bd 8 137A 1 49,-2.7 51,-2.8 -2,-0.4 2,-0.7 -0.978 5.0-168.5-117.5 117.7 -17.8 15.1 38.3 88 88 A V E -bd 9 138A 0 -80,-3.3 -78,-2.5 -2,-0.5 2,-1.1 -0.923 7.0-159.3-105.5 110.8 -15.9 15.2 35.0 89 89 A N E + d 0 139A 8 49,-2.0 51,-2.9 -2,-0.7 29,-0.1 -0.757 40.2 135.7 -91.2 97.4 -13.3 12.5 34.9 90 90 A N + 0 0 19 -2,-1.1 -1,-0.2 49,-0.2 -79,-0.2 0.720 19.3 110.6-116.8 -36.4 -10.9 13.8 32.2 91 91 A A + 0 0 21 -75,-0.1 2,-0.3 -74,-0.1 -80,-0.1 -0.221 42.0 148.6 -53.1 136.8 -7.2 13.5 33.1 92 92 A G - 0 0 31 -81,-0.1 2,-0.3 2,-0.0 18,-0.1 -0.987 30.2-149.0-164.5 162.3 -5.4 11.0 30.9 93 93 A I - 0 0 68 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.864 9.6-145.0-134.6 167.0 -2.1 10.1 29.3 94 94 A Q + 0 0 33 -2,-0.3 2,-0.3 2,-0.0 58,-0.1 -0.922 14.7 173.9-132.6 150.1 -0.8 8.3 26.2 95 95 A H - 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