==== 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 13-APR-05 1X1T . COMPND 2 MOLECULE: D(-)-3-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FRAGI; . AUTHOR K.ITO,Y.NAKAJIMA,E.ICHIHARA,K.OGAWA,T.YOSHIMOTO . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 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 . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 0 0 0 0 1 2 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 0 1 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 1 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 0 141 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 172.9 -4.4 18.1 49.0 2 2 A L > + 0 0 7 25,-3.2 3,-1.7 22,-0.2 28,-0.2 -0.088 360.0 156.4-129.2 33.3 -5.7 19.5 45.7 3 3 A K T 3 + 0 0 155 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.358 68.7 23.9 -63.2 138.4 -6.7 16.3 43.9 4 4 A G T 3 S+ 0 0 64 24,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.447 101.8 112.7 86.4 -0.6 -9.3 16.9 41.2 5 5 A K < - 0 0 49 -3,-1.7 25,-2.7 23,-0.2 2,-0.4 -0.771 57.4-141.0-108.2 153.4 -8.3 20.5 40.8 6 6 A V E -a 30 0A 2 -2,-0.3 80,-2.5 23,-0.2 79,-1.4 -0.942 14.4-167.8-115.7 130.3 -6.5 22.3 37.8 7 7 A A E -ab 31 86A 0 23,-2.7 25,-2.0 -2,-0.4 2,-0.5 -0.963 7.7-162.3-121.9 132.9 -3.8 24.9 38.2 8 8 A V E -ab 32 87A 0 78,-2.8 80,-3.1 -2,-0.4 2,-0.5 -0.957 10.3-171.9-110.3 124.1 -2.5 27.2 35.6 9 9 A V E > - b 0 88A 0 23,-2.1 3,-0.6 -2,-0.5 25,-0.4 -0.954 12.4-147.0-121.2 113.0 0.9 28.8 36.4 10 10 A T T 3 S+ 0 0 6 78,-2.7 80,-0.2 -2,-0.5 25,-0.1 -0.494 82.6 16.1 -76.7 148.3 2.2 31.5 34.1 11 11 A G T 3 S+ 0 0 15 79,-0.2 6,-0.5 -2,-0.2 3,-0.3 0.924 81.8 140.8 57.0 47.4 6.0 31.7 33.7 12 12 A S < + 0 0 0 22,-2.4 23,-0.2 -3,-0.6 -1,-0.1 0.139 36.7 95.4-106.8 18.4 6.5 28.2 35.2 13 13 A T S S- 0 0 29 21,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.555 101.1 -7.6 -83.4 -6.8 9.3 27.0 32.9 14 14 A S S >> S+ 0 0 78 -3,-0.3 4,-1.5 23,-0.0 3,-0.6 -0.973 106.8 15.4-170.1 177.1 11.8 28.1 35.5 15 15 A G H 3> S- 0 0 32 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.047 117.3 -7.6 50.0-138.8 12.4 29.9 38.8 16 16 A I H 3> S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 134.1 55.3 -57.1 -45.8 9.6 30.8 41.2 17 17 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.5 -5,-0.3 0.894 108.3 47.8 -57.7 -43.3 6.9 29.7 38.7 18 18 A L H X S+ 0 0 42 -4,-1.5 4,-2.5 -7,-0.3 -1,-0.2 0.899 110.5 52.9 -65.6 -38.9 8.3 26.2 38.3 19 19 A G H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.895 111.9 45.4 -62.3 -40.1 8.7 25.9 42.1 20 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 112.6 49.4 -69.9 -44.1 5.0 26.8 42.5 21 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 112.0 50.5 -61.2 -40.0 3.8 24.5 39.7 22 22 A T H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.927 110.0 48.8 -63.5 -46.6 5.9 21.7 41.3 23 23 A A H X S+ 0 0 21 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.890 112.9 47.8 -61.7 -40.9 4.4 22.2 44.8 24 24 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-0.9 0.890 109.7 52.7 -68.2 -38.6 0.9 22.2 43.4 25 25 A A H ><5S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.893 103.7 57.3 -63.1 -39.0 1.6 19.1 41.4 26 26 A A H 3<5S+ 0 0 45 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.694 101.4 57.8 -65.3 -18.3 2.8 17.4 44.5 27 27 A Q T <<5S- 0 0 54 -3,-0.9 -25,-3.2 -4,-0.6 -1,-0.3 0.404 126.6-101.1 -91.1 0.6 -0.6 18.1 46.1 28 28 A G T < 5S+ 0 0 14 -3,-2.0 -24,-0.7 1,-0.3 2,-0.3 0.540 74.5 141.4 94.2 8.0 -2.3 16.2 43.3 29 29 A A < - 0 0 0 -5,-1.8 -1,-0.3 -26,-0.2 -23,-0.2 -0.604 54.2-118.2 -85.7 143.2 -3.4 19.1 41.1 30 30 A D E -a 6 0A 43 -25,-2.7 -23,-2.7 -2,-0.3 2,-0.4 -0.515 38.2-143.2 -73.5 150.2 -3.3 18.9 37.3 31 31 A I E -ac 7 57A 0 25,-2.8 27,-2.6 -25,-0.2 2,-0.6 -0.931 23.5-162.9-127.8 143.9 -0.9 21.5 35.9 32 32 A V E -ac 8 58A 5 -25,-2.0 -23,-2.1 -2,-0.4 27,-0.2 -0.964 23.0-158.8-119.7 108.8 -0.7 23.8 32.9 33 33 A L E + c 0 59A 2 25,-3.6 27,-2.4 -2,-0.6 2,-0.3 -0.491 14.0 176.5 -83.9 159.4 2.9 25.1 32.5 34 34 A N E + c 0 60A 2 -25,-0.4 -22,-2.4 25,-0.2 -21,-0.7 -0.984 20.5 82.1-160.1 154.4 3.7 28.2 30.5 35 35 A G - 0 0 8 25,-0.6 2,-0.1 -2,-0.3 28,-0.0 -0.678 65.7 -64.5 134.6 171.7 6.6 30.4 29.6 36 36 A F + 0 0 132 -2,-0.2 2,-0.3 -22,-0.0 -23,-0.1 -0.417 69.2 91.1 -88.9 167.1 9.6 30.9 27.3 37 37 A G S S- 0 0 58 -2,-0.1 2,-0.4 24,-0.1 -2,-0.1 -0.862 76.5 -22.3 141.0-174.6 12.6 28.6 27.1 38 38 A D > - 0 0 100 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.562 48.0-147.0 -73.5 121.5 14.0 25.5 25.3 39 39 A A H > S+ 0 0 76 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.888 96.5 48.2 -54.3 -47.0 11.2 23.4 23.8 40 40 A A H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 115.8 42.8 -62.7 -46.1 13.1 20.1 24.3 41 41 A E H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 111.2 55.3 -70.9 -32.1 14.0 20.8 27.9 42 42 A I H X S+ 0 0 12 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.912 106.8 51.4 -65.8 -40.2 10.5 22.2 28.7 43 43 A E H X S+ 0 0 93 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.884 108.1 52.1 -62.6 -38.1 9.0 18.9 27.5 44 44 A K H X S+ 0 0 132 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.912 111.3 46.9 -63.9 -42.0 11.4 17.0 29.8 45 45 A V H X S+ 0 0 48 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.936 114.2 47.7 -64.2 -47.2 10.2 19.2 32.7 46 46 A R H X S+ 0 0 54 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.955 115.2 43.4 -58.8 -54.4 6.6 18.7 31.7 47 47 A A H X S+ 0 0 36 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.873 113.5 54.0 -60.8 -37.8 6.9 14.9 31.3 48 48 A G H X S+ 0 0 34 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.933 108.5 46.8 -63.1 -48.0 8.9 14.7 34.5 49 49 A L H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 6,-0.3 0.908 112.3 50.8 -61.1 -42.9 6.4 16.5 36.6 50 50 A A H X>S+ 0 0 21 -4,-2.1 5,-1.0 -5,-0.2 4,-1.0 0.917 116.1 40.6 -61.8 -44.7 3.5 14.4 35.3 51 51 A A H <5S+ 0 0 86 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.903 114.8 50.9 -71.7 -42.6 5.3 11.1 35.9 52 52 A Q H <5S+ 0 0 144 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.834 124.4 26.7 -65.9 -34.4 6.8 12.1 39.3 53 53 A H H <5S- 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.410 100.6-122.9-111.2 0.9 3.4 13.2 40.8 54 54 A G T <5S+ 0 0 69 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.889 70.1 119.7 59.6 42.1 1.0 11.2 38.8 55 55 A V S - 0 0 67 1,-0.1 3,-1.6 -29,-0.1 6,-0.2 -0.742 21.4-160.9 -84.4 102.7 3.4 35.0 24.9 64 64 A L T 3 S+ 0 0 7 -2,-1.0 -1,-0.1 1,-0.3 6,-0.1 0.389 76.9 84.2 -69.9 5.1 1.7 36.8 27.8 65 65 A S T 3 S+ 0 0 46 1,-0.1 2,-0.5 51,-0.0 -1,-0.3 0.598 85.1 69.6 -80.0 -10.1 2.8 40.2 26.6 66 66 A K S X> S- 0 0 135 -3,-1.6 4,-1.8 1,-0.1 3,-0.8 -0.943 78.3-146.0-112.7 120.5 -0.3 40.0 24.4 67 67 A G H 3> S+ 0 0 18 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.853 99.1 51.0 -50.5 -44.8 -3.7 40.2 26.0 68 68 A E H 3> S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.819 108.2 53.7 -66.5 -28.9 -5.5 37.8 23.7 69 69 A A H <> S+ 0 0 30 -3,-0.8 4,-2.0 -6,-0.2 -1,-0.2 0.858 108.1 49.8 -72.1 -36.1 -2.7 35.3 24.1 70 70 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.933 112.4 46.5 -67.1 -46.0 -3.2 35.4 27.9 71 71 A R H X S+ 0 0 60 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.892 111.1 54.0 -62.9 -37.3 -6.9 34.9 27.6 72 72 A G H X S+ 0 0 17 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.873 102.0 57.7 -64.3 -38.2 -6.2 32.1 25.1 73 73 A L H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.932 111.8 41.5 -57.1 -47.4 -3.9 30.4 27.7 74 74 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.914 113.2 53.2 -67.5 -43.3 -6.8 30.3 30.1 75 75 A D H X S+ 0 0 56 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.924 112.8 43.5 -58.1 -46.8 -9.4 29.3 27.5 76 76 A N H X S+ 0 0 63 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.790 108.0 59.1 -71.2 -27.6 -7.3 26.4 26.3 77 77 A A H X S+ 0 0 3 -4,-1.5 4,-2.9 -5,-0.3 6,-0.5 0.940 109.6 44.2 -65.3 -44.5 -6.5 25.3 29.8 78 78 A V H X S+ 0 0 26 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.907 113.4 51.2 -65.8 -41.5 -10.3 24.9 30.4 79 79 A R H < S+ 0 0 172 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 121.7 31.0 -63.0 -43.3 -10.8 23.1 27.1 80 80 A Q H < S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.804 130.6 34.1 -86.8 -31.4 -8.0 20.6 27.7 81 81 A M H < S- 0 0 22 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.617 100.7-125.1 -98.7 -16.8 -8.2 20.3 31.5 82 82 A G S < S+ 0 0 57 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.264 77.8 9.1 92.5 -12.1 -11.9 20.7 31.9 83 83 A R - 0 0 89 -6,-0.5 2,-0.3 -78,-0.0 -2,-0.1 -0.970 63.3-124.1-178.8 174.0 -11.7 23.6 34.4 84 84 A I + 0 0 0 -2,-0.3 -77,-0.1 41,-0.1 3,-0.1 -0.806 31.2 160.0-142.7 97.3 -9.4 26.1 36.1 85 85 A D S S+ 0 0 1 -79,-1.4 51,-1.7 -2,-0.3 2,-0.4 0.821 70.8 35.1 -85.2 -34.5 -9.5 26.1 39.9 86 86 A I E -bd 7 136A 0 -80,-2.5 -78,-2.8 49,-0.2 2,-0.5 -0.986 59.9-174.7-129.2 128.1 -6.2 27.9 40.5 87 87 A L E -bd 8 137A 1 49,-2.6 51,-2.8 -2,-0.4 2,-0.7 -0.981 4.2-169.8-123.5 116.9 -4.6 30.6 38.5 88 88 A V E -bd 9 138A 0 -80,-3.1 -78,-2.7 -2,-0.5 2,-1.1 -0.929 7.4-160.1-108.2 108.1 -1.1 31.7 39.5 89 89 A N E + d 0 139A 9 49,-1.4 51,-2.7 -2,-0.7 -80,-0.1 -0.786 39.1 137.6 -90.3 98.9 -0.1 34.9 37.6 90 90 A N + 0 0 20 -2,-1.1 -1,-0.2 49,-0.2 -79,-0.2 0.713 19.2 114.1-116.7 -33.2 3.6 34.8 37.9 91 91 A A + 0 0 22 -3,-0.2 2,-0.3 26,-0.1 -80,-0.1 -0.119 41.5 151.7 -48.2 136.6 5.4 35.7 34.7 92 92 A G - 0 0 42 -81,-0.1 2,-0.3 2,-0.0 18,-0.1 -0.987 28.7-158.8-166.5 157.7 7.4 38.9 35.0 93 93 A I - 0 0 69 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.848 11.6-155.9-134.2 169.8 10.4 41.0 33.7 94 94 A Q - 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