==== 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 06-JUL-04 1WMB . COMPND 2 MOLECULE: D(-)-3-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FRAGI; . AUTHOR K.ITO,Y.NAKAJIMA,E.ICHIHARA,K.OGAWA,T.YOSHIMOTO . 520 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 0 0 0 2 3 3 0 2 4 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 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 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 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 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 0 138 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 170.8 -6.7 18.0 21.6 2 2 A L > + 0 0 6 25,-2.8 3,-1.8 22,-0.2 28,-0.2 -0.011 360.0 153.6-129.4 26.6 -7.7 19.5 18.2 3 3 A K T 3 + 0 0 145 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.327 69.4 24.9 -59.2 136.5 -8.8 16.3 16.4 4 4 A G T 3 S+ 0 0 59 24,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.524 101.2 114.0 85.9 4.3 -11.3 17.0 13.7 5 5 A K < - 0 0 48 -3,-1.8 25,-2.6 23,-0.2 2,-0.5 -0.819 57.9-140.1-111.4 151.4 -10.1 20.6 13.3 6 6 A V E -a 30 0A 4 -2,-0.3 80,-2.6 23,-0.2 79,-1.5 -0.945 16.2-169.8-114.3 124.8 -8.3 22.2 10.3 7 7 A A E -ab 31 86A 0 23,-2.6 25,-1.7 -2,-0.5 2,-0.5 -0.947 5.9-162.6-117.2 129.8 -5.5 24.7 10.8 8 8 A V E -ab 32 87A 0 78,-3.1 80,-2.9 -2,-0.4 2,-0.5 -0.941 8.8-171.8-110.5 130.0 -3.9 26.9 8.1 9 9 A V E > - b 0 88A 0 23,-2.1 3,-0.6 -2,-0.5 25,-0.5 -0.960 12.0-147.0-127.5 115.6 -0.5 28.4 8.8 10 10 A T T 3 S+ 0 0 7 78,-2.2 80,-0.2 -2,-0.5 25,-0.1 -0.506 83.8 15.5 -78.5 147.1 1.1 30.9 6.5 11 11 A G T 3 S+ 0 0 18 79,-0.2 6,-0.5 -2,-0.2 3,-0.3 0.911 84.8 138.0 57.5 45.3 4.9 30.9 6.2 12 12 A S < + 0 0 0 22,-2.1 23,-0.2 -3,-0.6 -1,-0.1 0.160 29.4 101.0-108.4 18.4 5.1 27.5 7.7 13 13 A T S S- 0 0 24 21,-0.6 2,-0.3 23,-0.1 -1,-0.2 0.601 98.8 -13.2 -77.7 -8.8 7.7 25.8 5.5 14 14 A S S > S+ 0 0 75 -3,-0.3 4,-1.8 23,-0.0 3,-0.5 -0.968 107.3 19.4-170.6-179.4 10.3 26.3 8.2 15 15 A G H > S- 0 0 37 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.060 118.2 -5.2 48.2-136.8 11.2 28.1 11.4 16 16 A I H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 136.3 50.6 -53.8 -54.8 8.5 29.6 13.6 17 17 A G H > S+ 0 0 0 -6,-0.5 4,-2.4 -3,-0.5 -5,-0.3 0.889 112.4 47.8 -54.0 -43.1 5.6 28.8 11.2 18 18 A L H X S+ 0 0 40 -4,-1.8 4,-2.2 -7,-0.3 -1,-0.2 0.890 108.5 53.9 -66.2 -40.6 6.8 25.2 10.9 19 19 A G H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 111.6 46.7 -60.7 -37.9 7.1 24.8 14.6 20 20 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 110.7 49.4 -70.9 -45.1 3.5 26.0 15.0 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.860 112.6 50.9 -62.0 -34.7 2.1 23.8 12.2 22 22 A T H X S+ 0 0 47 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 108.7 48.5 -70.0 -45.5 3.9 20.9 13.9 23 23 A A H X S+ 0 0 19 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.894 115.6 46.0 -62.7 -39.4 2.5 21.5 17.4 24 24 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 3,-1.4 0.941 112.4 48.9 -67.6 -47.3 -1.0 21.8 15.9 25 25 A A H ><5S+ 0 0 1 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.868 105.5 60.8 -59.1 -35.2 -0.6 18.7 13.8 26 26 A A H 3<5S+ 0 0 44 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.718 99.7 55.4 -65.5 -21.4 0.7 17.0 17.0 27 27 A Q T <<5S- 0 0 59 -3,-1.4 -25,-2.8 -4,-0.6 -24,-0.4 0.359 128.6 -95.5 -93.0 4.9 -2.7 17.8 18.6 28 28 A G T < 5S+ 0 0 20 -3,-1.8 -24,-0.8 1,-0.3 2,-0.2 0.483 77.8 141.0 97.9 3.3 -4.5 15.9 15.8 29 29 A A < - 0 0 0 -5,-1.7 -1,-0.3 -26,-0.2 -23,-0.2 -0.578 54.0-120.1 -82.2 140.7 -5.4 18.9 13.6 30 30 A D E -a 6 0A 44 -25,-2.6 -23,-2.6 -2,-0.2 2,-0.4 -0.499 37.1-141.5 -72.4 151.5 -5.2 18.6 9.9 31 31 A I E -ac 7 57A 0 25,-2.8 27,-2.3 -25,-0.2 2,-0.5 -0.920 23.0-163.2-127.0 146.9 -2.7 21.1 8.4 32 32 A V E -ac 8 58A 4 -25,-1.7 -23,-2.1 -2,-0.4 27,-0.2 -0.964 22.0-158.5-123.2 108.3 -2.3 23.3 5.4 33 33 A L E + c 0 59A 1 25,-3.4 27,-3.0 -2,-0.5 2,-0.3 -0.492 16.2 170.5 -84.6 158.3 1.3 24.4 4.9 34 34 A N E + c 0 60A 0 -25,-0.5 -22,-2.1 25,-0.2 -21,-0.6 -0.981 16.9 91.7-161.4 161.4 2.2 27.5 2.9 35 35 A G - 0 0 5 25,-0.7 2,-0.1 -2,-0.3 28,-0.1 -0.272 67.8 -69.0 124.3 150.3 5.2 29.8 2.1 36 36 A F S S+ 0 0 145 -2,-0.1 2,-0.3 26,-0.1 -23,-0.1 -0.432 73.0 103.9 -71.8 143.6 8.0 30.2 -0.4 37 37 A G S S- 0 0 53 -2,-0.1 2,-0.6 24,-0.1 -2,-0.1 -0.979 72.0 -34.5 171.6-168.5 10.7 27.7 -0.5 38 38 A D > - 0 0 99 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 -0.672 43.8-146.7 -82.0 119.4 12.2 24.7 -2.2 39 39 A A H > S+ 0 0 79 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.904 97.4 50.2 -49.4 -50.4 9.5 22.4 -3.8 40 40 A A H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.939 116.4 39.6 -55.5 -53.4 11.5 19.2 -3.2 41 41 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 111.6 58.4 -68.1 -33.9 12.2 20.0 0.5 42 42 A I H X S+ 0 0 8 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.926 105.8 49.2 -62.2 -43.1 8.7 21.4 1.1 43 43 A E H X S+ 0 0 92 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.884 108.4 53.7 -63.1 -38.7 7.2 18.1 -0.1 44 44 A K H X S+ 0 0 138 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.916 112.3 44.7 -61.5 -42.3 9.5 16.2 2.3 45 45 A V H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.950 115.3 47.0 -65.6 -50.4 8.3 18.4 5.1 46 46 A R H X S+ 0 0 56 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.930 116.8 42.5 -56.9 -51.9 4.6 18.1 4.1 47 47 A A H X S+ 0 0 35 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.928 113.9 52.2 -62.5 -46.7 4.8 14.3 3.7 48 48 A G H X S+ 0 0 30 -4,-2.5 4,-3.2 -5,-0.3 -2,-0.2 0.914 108.5 50.2 -56.8 -45.5 6.9 13.8 6.8 49 49 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 6,-0.3 0.915 111.1 48.5 -60.5 -45.1 4.4 15.8 9.0 50 50 A A H X>S+ 0 0 22 -4,-1.9 4,-1.4 -5,-0.2 5,-0.8 0.932 115.7 43.9 -61.8 -45.7 1.4 13.8 7.7 51 51 A A H <5S+ 0 0 80 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.926 113.4 52.0 -65.1 -45.5 3.2 10.5 8.4 52 52 A Q H <5S+ 0 0 150 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 125.4 22.2 -59.2 -45.5 4.5 11.6 11.8 53 53 A H H <5S- 0 0 67 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.392 99.3-124.4-107.1 2.4 1.2 12.7 13.2 54 54 A G T <5 + 0 0 67 -4,-1.4 2,-0.3 -5,-0.2 -3,-0.2 0.909 68.2 123.4 55.7 46.6 -1.2 10.7 11.1 55 55 A V S - 0 0 54 1,-0.2 3,-2.3 -28,-0.1 6,-0.2 -0.631 25.3-159.9 -75.8 100.3 2.1 34.3 -2.9 64 64 A L T 3 S+ 0 0 13 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.597 84.9 70.6 -59.9 -12.8 1.1 36.0 0.4 65 65 A S T 3 S+ 0 0 62 1,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.606 88.0 78.3 -79.7 -10.0 2.1 39.4 -1.0 66 66 A K S X> S- 0 0 130 -3,-2.3 4,-2.0 1,-0.2 3,-0.6 -0.887 72.8-150.4-105.1 116.8 -1.0 39.2 -3.3 67 67 A G H 3> S+ 0 0 21 -2,-0.6 4,-2.1 1,-0.3 3,-0.3 0.900 98.4 45.5 -48.7 -53.3 -4.4 39.9 -1.7 68 68 A E H 3> S+ 0 0 173 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.793 110.4 56.8 -64.3 -26.7 -6.4 37.6 -3.9 69 69 A A H <> S+ 0 0 26 -3,-0.6 4,-1.6 -6,-0.2 -1,-0.2 0.870 105.8 49.1 -72.0 -36.9 -3.8 34.9 -3.4 70 70 A V H X S+ 0 0 3 -4,-2.0 4,-1.8 -3,-0.3 3,-0.2 0.941 112.9 46.6 -67.0 -46.7 -4.1 35.0 0.4 71 71 A R H X S+ 0 0 76 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.885 110.3 55.1 -61.8 -37.1 -7.9 34.8 0.2 72 72 A G H X S+ 0 0 19 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.847 102.3 56.7 -64.5 -34.2 -7.4 32.0 -2.3 73 73 A L H X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.949 112.4 41.1 -60.9 -49.9 -5.3 30.1 0.2 74 74 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.947 114.6 52.1 -63.0 -49.8 -8.1 30.2 2.7 75 75 A D H X S+ 0 0 58 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.922 113.2 43.7 -53.2 -49.4 -10.8 29.4 0.1 76 76 A N H X S+ 0 0 63 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.811 108.0 59.3 -67.7 -31.8 -8.9 26.4 -1.2 77 77 A A H X S+ 0 0 4 -4,-1.8 4,-3.1 -5,-0.2 6,-0.4 0.923 107.7 46.1 -63.1 -43.8 -8.1 25.2 2.3 78 78 A V H X S+ 0 0 26 -4,-2.1 4,-3.0 3,-0.2 -2,-0.2 0.954 113.7 48.9 -63.0 -50.0 -11.9 25.0 3.0 79 79 A R H < S+ 0 0 156 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 122.5 32.6 -57.7 -41.6 -12.6 23.2 -0.2 80 80 A Q H < S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.799 129.3 35.3 -87.4 -31.7 -9.8 20.7 0.3 81 81 A M H < S- 0 0 21 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.663 102.0-121.2 -97.4 -19.5 -9.9 20.4 4.1 82 82 A G S < S- 0 0 59 -4,-3.0 2,-0.3 -5,-0.4 -4,-0.2 0.158 79.6 -1.9 100.5 -18.9 -13.7 20.8 4.6 83 83 A R - 0 0 85 -6,-0.4 2,-0.3 -78,-0.0 -2,-0.1 -0.967 64.1-117.1-179.4-179.7 -13.4 23.8 6.9 84 84 A I + 0 0 0 -2,-0.3 -77,-0.1 41,-0.1 48,-0.1 -0.792 33.0 159.4-144.9 97.5 -11.0 26.2 8.6 85 85 A D S S+ 0 0 0 -79,-1.5 51,-1.9 -2,-0.3 2,-0.4 0.826 70.2 38.9 -85.6 -34.3 -11.1 26.3 12.4 86 86 A I E -bd 7 136A 0 -80,-2.6 -78,-3.1 49,-0.2 2,-0.5 -0.971 57.8-176.1-127.7 128.9 -7.6 27.8 12.9 87 87 A L E -bd 8 137A 1 49,-2.4 51,-3.1 -2,-0.4 2,-0.7 -0.975 3.7-172.8-124.1 116.2 -5.8 30.5 11.0 88 88 A V E -bd 9 138A 0 -80,-2.9 -78,-2.2 -2,-0.5 2,-1.1 -0.932 8.7-160.4-109.9 108.3 -2.3 31.4 12.0 89 89 A N E + d 0 139A 9 49,-1.5 51,-2.8 -2,-0.7 29,-0.1 -0.790 36.0 142.1 -90.9 101.1 -1.0 34.4 10.1 90 90 A N + 0 0 18 -2,-1.1 -1,-0.2 -80,-0.2 -79,-0.2 0.786 19.7 112.7-111.3 -39.2 2.7 34.0 10.5 91 91 A A + 0 0 18 26,-0.0 2,-0.3 -74,-0.0 -80,-0.1 0.001 38.9 154.4 -43.6 140.1 4.6 35.1 7.4 92 92 A G - 0 0 38 -81,-0.1 2,-0.3 2,-0.0 18,-0.1 -0.985 25.0-160.9-162.9 164.1 6.8 38.2 7.7 93 93 A I - 0 0 60 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.975 11.1-156.0-148.4 158.2 9.9 40.0 6.3 94 94 A Q - 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