==== 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 29-MAY-07 2Q2V . COMPND 2 MOLECULE: BETA-D-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.S.PAITHANKAR,C.FELLER,E.B.KUETTNER,A.KEIM,M.GRUNOW,N.STRAT . 1003 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 762 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 13.6 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 . 64 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.3 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 1 0 0 4 3 2 7 6 1 0 4 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 6 14 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 2 A T 0 0 141 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -65.6 24.7 4.9 -0.0 2 3 A L > + 0 0 5 25,-2.4 3,-2.6 22,-0.2 28,-0.2 0.076 360.0 149.4-110.5 22.5 25.4 5.6 -3.7 3 4 A K T 3 S+ 0 0 164 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.349 72.0 24.6 -53.6 132.4 21.9 6.5 -4.7 4 5 A G T 3 S+ 0 0 47 24,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.386 101.7 112.1 89.7 -4.5 22.2 9.0 -7.6 5 6 A K < - 0 0 58 -3,-2.6 25,-2.1 23,-0.1 2,-0.4 -0.687 54.8-146.6 -98.9 158.7 25.7 7.9 -8.6 6 7 A T E -a 30 0A 8 -2,-0.2 76,-2.0 23,-0.2 75,-2.0 -0.993 13.1-167.6-121.1 128.6 26.8 6.1 -11.8 7 8 A A E -ab 31 82A 0 23,-3.0 25,-2.6 -2,-0.4 2,-0.5 -0.935 8.2-159.1-113.7 135.3 29.7 3.6 -11.7 8 9 A L E -ab 32 83A 0 74,-2.6 76,-3.0 -2,-0.4 2,-0.5 -0.978 12.3-172.6-108.2 126.0 31.5 2.3 -14.8 9 10 A V E -ab 33 84A 0 23,-2.3 25,-0.6 -2,-0.5 3,-0.5 -0.977 14.6-142.2-122.0 117.7 33.3 -1.0 -14.1 10 11 A T S S+ 0 0 6 74,-2.3 25,-0.1 -2,-0.5 23,-0.0 -0.525 84.1 18.2 -76.8 149.8 35.6 -2.5 -16.8 11 12 A G S S+ 0 0 27 -2,-0.2 6,-0.7 1,-0.1 7,-0.4 0.940 85.0 140.4 58.8 49.5 35.6 -6.3 -17.3 12 13 A S + 0 0 0 22,-2.8 23,-0.2 -3,-0.5 -1,-0.1 0.179 34.9 91.1-115.8 18.6 32.3 -6.6 -15.4 13 14 A T S S+ 0 0 30 21,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.494 103.6 3.6 -86.0 -5.0 30.4 -9.3 -17.3 14 15 A S S >> S+ 0 0 63 -3,-0.3 4,-1.5 28,-0.0 3,-0.6 -0.978 108.8 0.1-162.0 168.8 32.0 -11.9 -15.0 15 16 A G H 3> S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.046 117.9 1.8 55.3-135.7 34.2 -12.4 -11.9 16 17 A I H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 134.0 49.8 -56.4 -49.6 35.9 -9.6 -10.0 17 18 A G H <> S+ 0 0 0 -6,-0.7 4,-2.7 -3,-0.6 -5,-0.3 0.916 113.5 45.7 -56.8 -46.9 34.3 -6.8 -12.2 18 19 A L H X S+ 0 0 24 -4,-1.5 4,-2.7 -7,-0.4 -1,-0.2 0.913 110.8 52.9 -64.3 -42.8 30.8 -8.3 -11.9 19 20 A G H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.920 112.4 45.1 -57.4 -46.9 31.2 -8.8 -8.1 20 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.933 112.1 52.2 -61.7 -49.2 32.2 -5.1 -7.7 21 22 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.894 108.0 52.2 -50.6 -46.4 29.4 -4.0 -9.9 22 23 A Q H X S+ 0 0 51 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.902 108.9 49.1 -60.1 -45.6 26.8 -6.0 -7.9 23 24 A V H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.935 113.0 47.3 -62.8 -42.5 27.9 -4.4 -4.6 24 25 A L H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.872 110.9 52.1 -66.0 -35.4 27.7 -0.9 -6.1 25 26 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.867 107.3 51.7 -66.1 -42.2 24.2 -1.7 -7.5 26 27 A R H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.6 56.8 -64.7 -31.5 23.0 -2.9 -4.1 27 28 A A T 3<5S- 0 0 10 -4,-1.6 -25,-2.4 -5,-0.2 -24,-0.4 0.491 129.0 -98.7 -75.6 -7.9 24.3 0.4 -2.8 28 29 A G T < 5S+ 0 0 18 -3,-1.3 -24,-0.7 1,-0.3 2,-0.3 0.440 74.9 138.9 106.4 2.6 22.1 2.2 -5.3 29 30 A A < - 0 0 0 -5,-2.4 -1,-0.3 -26,-0.2 -23,-0.2 -0.580 52.1-125.1 -82.1 137.4 24.4 3.1 -8.2 30 31 A N E -a 6 0A 36 -25,-2.1 -23,-3.0 -2,-0.3 2,-0.4 -0.517 35.0-137.2 -65.9 147.6 23.5 2.8 -11.9 31 32 A I E -ac 7 53A 0 21,-2.2 23,-1.8 -25,-0.2 2,-0.6 -0.927 21.0-160.4-124.6 133.7 26.1 0.6 -13.7 32 33 A V E -ac 8 54A 0 -25,-2.6 -23,-2.3 -2,-0.4 2,-0.2 -0.976 27.5-163.4-104.5 110.8 27.9 0.8 -17.0 33 34 A L E -ac 9 55A 0 21,-3.0 23,-2.1 -2,-0.6 2,-0.3 -0.631 8.7-173.8 -91.7 155.7 29.1 -2.8 -17.6 34 35 A N E + c 0 56A 4 -25,-0.6 -22,-2.8 -2,-0.2 -21,-0.6 -0.991 27.8 81.9-148.8 144.7 31.8 -3.8 -20.1 35 36 A G - 0 0 6 21,-1.0 2,-0.1 -2,-0.3 24,-0.1 -0.830 66.9 -51.5 147.2 176.8 33.0 -7.1 -21.3 36 37 A F S S+ 0 0 149 -2,-0.2 2,-0.1 22,-0.0 -2,-0.1 -0.324 82.1 41.1 -80.0 159.7 32.7 -10.1 -23.5 37 38 A G S S- 0 0 59 20,-0.1 -2,-0.1 -2,-0.1 -24,-0.0 -0.151 101.0 -39.0 100.0 168.4 29.6 -12.3 -23.9 38 39 A D - 0 0 121 1,-0.2 4,-0.4 -2,-0.1 -2,-0.0 -0.540 54.7-158.3 -58.3 126.5 25.8 -11.9 -24.2 39 40 A P > + 0 0 34 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.566 69.4 93.4 -94.0 -0.9 25.3 -9.1 -21.7 40 41 A A H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 88.8 45.5 -57.2 -46.7 21.6 -9.9 -21.1 41 42 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.940 115.6 46.1 -58.5 -51.6 22.4 -12.1 -18.0 42 43 A A H > S+ 0 0 6 -4,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.888 113.8 48.8 -54.2 -46.3 24.9 -9.6 -16.6 43 44 A L H X S+ 0 0 46 -4,-3.4 4,-3.1 1,-0.2 -1,-0.2 0.862 112.4 49.2 -61.4 -38.9 22.5 -6.6 -17.1 44 45 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.873 105.5 56.5 -71.9 -38.1 19.7 -8.6 -15.5 45 46 A E H < S+ 0 0 83 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.802 115.9 38.8 -60.7 -32.2 22.0 -9.5 -12.5 46 47 A I H >< S+ 0 0 0 -4,-1.3 3,-2.1 -5,-0.1 5,-0.3 0.926 113.9 52.5 -80.4 -51.8 22.4 -5.7 -12.0 47 48 A A H >< S+ 0 0 51 -4,-3.1 3,-2.2 1,-0.3 4,-0.3 0.765 95.6 68.8 -59.9 -30.5 18.8 -4.6 -12.9 48 49 A R T 3< S+ 0 0 172 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.696 89.5 65.9 -65.7 -14.9 17.3 -7.0 -10.4 49 50 A H T < S- 0 0 52 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.514 122.3-106.2 -79.0 -1.9 18.9 -4.7 -7.7 50 51 A G S < S+ 0 0 71 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.883 83.9 112.6 80.9 41.2 16.5 -1.9 -8.8 51 52 A V - 0 0 13 -4,-0.3 -1,-0.3 -5,-0.3 2,-0.3 -0.854 69.4-104.8-135.6 164.5 19.1 0.2 -10.6 52 53 A K - 0 0 145 -2,-0.3 -21,-2.2 -3,-0.1 2,-0.3 -0.716 39.0-178.2 -92.9 144.9 19.6 1.1 -14.3 53 54 A A E -c 31 0A 25 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.993 13.7-178.7-141.5 153.2 22.4 -0.6 -16.3 54 55 A V E -c 32 0A 24 -23,-1.8 -21,-3.0 -2,-0.3 2,-0.4 -0.921 15.1-146.6-137.4 167.1 23.9 -0.5 -19.8 55 56 A H E -c 33 0A 34 -2,-0.3 -21,-0.2 -23,-0.2 -23,-0.0 -0.990 10.0-169.7-137.7 146.6 26.7 -2.5 -21.4 56 57 A H E -c 34 0A 38 -23,-2.1 -21,-1.0 -2,-0.4 13,-0.1 -0.998 18.2-146.3-133.3 132.6 29.4 -1.9 -24.0 57 58 A P + 0 0 76 0, 0.0 -23,-0.1 0, 0.0 -20,-0.1 0.319 39.6 161.0 -79.7 11.2 31.5 -4.7 -25.4 58 59 A A - 0 0 2 7,-0.2 2,-0.8 1,-0.1 -2,-0.1 0.042 39.4-140.2 -40.4 126.2 34.7 -2.5 -25.8 59 60 A D > - 0 0 43 1,-0.1 3,-2.1 -24,-0.1 6,-0.3 -0.825 16.3-150.4 -80.8 111.3 38.0 -4.3 -26.2 60 61 A L T 3 S+ 0 0 21 -2,-0.8 -1,-0.1 1,-0.3 56,-0.1 0.468 88.9 71.6 -76.3 -0.4 40.1 -2.0 -24.0 61 62 A S T 3 S+ 0 0 41 1,-0.1 2,-0.7 51,-0.0 -1,-0.3 0.550 89.9 72.3 -81.2 -9.1 43.3 -2.7 -26.0 62 63 A D S X> S- 0 0 65 -3,-2.1 4,-2.1 1,-0.2 3,-0.6 -0.924 72.4-158.5-110.2 112.7 41.7 -0.6 -28.8 63 64 A V H 3> S+ 0 0 51 -2,-0.7 4,-2.6 1,-0.3 -1,-0.2 0.864 91.8 57.1 -62.6 -36.7 41.6 3.0 -27.9 64 65 A A H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.854 107.9 49.0 -57.1 -37.6 38.8 3.8 -30.3 65 66 A Q H <> S+ 0 0 62 -3,-0.6 4,-2.2 -6,-0.3 -2,-0.2 0.879 107.5 52.9 -76.6 -36.4 36.7 1.2 -28.4 66 67 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 -7,-0.3 5,-0.2 0.941 108.8 51.6 -62.6 -39.2 37.5 2.6 -25.0 67 68 A E H X S+ 0 0 86 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 108.4 50.9 -57.8 -43.4 36.3 6.0 -26.4 68 69 A A H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.845 107.1 54.3 -60.7 -41.1 33.1 4.4 -27.6 69 70 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.910 113.1 41.7 -62.0 -45.2 32.6 2.8 -24.1 70 71 A F H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.821 110.5 56.5 -73.5 -32.8 32.9 6.3 -22.4 71 72 A A H X S+ 0 0 40 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.907 107.1 50.8 -63.5 -39.7 30.8 8.0 -25.1 72 73 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.938 109.4 50.1 -60.7 -45.9 28.0 5.4 -24.2 73 74 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 6,-1.7 0.887 111.3 49.3 -59.1 -39.3 28.4 6.3 -20.5 74 75 A E H X S+ 0 0 117 -4,-2.2 4,-1.3 4,-0.3 -1,-0.2 0.930 113.9 45.8 -65.9 -44.9 28.1 10.0 -21.4 75 76 A R H < S+ 0 0 173 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.866 122.9 31.9 -64.5 -40.9 25.0 9.5 -23.5 76 77 A E H < S+ 0 0 113 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.812 137.6 16.1 -94.3 -31.6 23.0 7.2 -21.2 77 78 A F H < S- 0 0 45 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.410 97.2-112.9-124.4 -1.6 24.1 8.4 -17.8 78 79 A G S < S- 0 0 42 -4,-1.3 -4,-0.3 -5,-0.5 -3,-0.1 0.740 79.1 -42.2 73.9 22.7 25.7 11.8 -18.3 79 80 A G S S- 0 0 3 -6,-1.7 2,-0.5 -7,-0.1 42,-0.1 -0.221 75.6 -68.0 107.7 163.9 29.1 10.6 -17.3 80 81 A V - 0 0 5 1,-0.1 -73,-0.2 -2,-0.1 3,-0.1 -0.780 28.1-178.7 -95.4 124.1 30.8 8.4 -14.7 81 82 A D S S+ 0 0 17 -75,-2.0 51,-1.6 -2,-0.5 2,-0.4 0.767 83.5 30.4 -81.4 -32.6 30.9 9.4 -11.0 82 83 A I E S-bd 7 132A 0 -76,-2.0 -74,-2.6 49,-0.2 2,-0.5 -0.996 70.9-166.9-133.5 119.9 32.8 6.3 -10.1 83 84 A L E -bd 8 133A 0 49,-3.0 51,-3.2 -2,-0.4 2,-0.6 -0.965 2.2-168.3-111.7 124.6 35.3 4.6 -12.4 84 85 A V E -bd 9 134A 0 -76,-3.0 -74,-2.3 -2,-0.5 2,-0.9 -0.929 8.5-158.0-109.9 106.3 36.6 1.1 -11.6 85 86 A N E + d 0 135A 8 49,-1.9 51,-3.2 -2,-0.6 2,-0.4 -0.759 24.2 168.3 -84.9 103.6 39.5 0.1 -13.9 86 87 A N - 0 0 16 -2,-0.9 2,-0.6 49,-0.2 51,-0.1 -0.960 21.4-125.1-123.3 128.8 39.5 -3.7 -13.7 87 88 A A - 0 0 24 49,-0.5 23,-0.1 -2,-0.4 22,-0.1 -0.782 13.7-134.1-136.7 131.4 41.6 -5.8 -16.1 88 89 A G + 0 0 64 -2,-0.6 2,-0.2 21,-0.1 18,-0.1 0.155 52.5 1.0 48.6-109.3 42.2 -8.3 -18.6 89 90 A I - 0 0 61 17,-0.1 2,-0.3 16,-0.1 21,-0.1 -0.796 25.7-151.3-159.5 152.2 44.8 -10.7 -18.6 90 91 A Q - 0 0 72 -2,-0.2 2,-0.3 2,-0.0 58,-0.1 -0.906 8.1-178.1-137.2 152.1 47.9 -12.9 -17.8 91 92 A H - 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