==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-12 3VDR . COMPND 2 MOLECULE: D-3-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR M.M.HOQUE,S.SHIMIZU,E.C.M.JUAN,Y.SATO,M.T.HOSSAIN,T.YAMAMOTO . 1040 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 803 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 11.2 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 . 61 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 419 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.0 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 1 3 0 0 9 6 2 0 8 0 3 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 6 11 1 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 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 0 184 0, 0.0 27,-0.1 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 -21.4 -26.8 45.9 9.1 2 2 A L > + 0 0 3 25,-1.1 3,-1.8 22,-0.1 26,-0.1 0.039 360.0 153.1-100.7 27.4 -25.5 45.1 12.6 3 3 A K T 3 S+ 0 0 185 1,-0.2 26,-0.2 24,-0.1 25,-0.1 -0.320 70.8 12.3 -58.6 129.7 -28.8 44.2 14.4 4 4 A G T 3 S+ 0 0 55 24,-1.3 -1,-0.2 1,-0.3 2,-0.2 0.497 93.7 130.5 84.3 2.7 -28.3 41.8 17.3 5 5 A K < - 0 0 57 -3,-1.8 25,-2.2 23,-0.3 2,-0.6 -0.616 52.2-135.7 -91.0 151.2 -24.5 42.1 17.5 6 6 A K E -a 30 0A 52 -2,-0.2 79,-2.2 23,-0.2 80,-1.9 -0.912 28.5-178.4-110.2 110.3 -22.6 42.8 20.8 7 7 A A E -ab 31 86A 0 23,-3.0 25,-1.6 -2,-0.6 2,-0.4 -0.778 15.8-161.1-113.7 155.3 -19.9 45.5 20.5 8 8 A V E -ab 32 87A 0 78,-2.8 80,-2.4 -2,-0.3 2,-0.5 -0.997 4.4-167.8-131.8 130.3 -17.3 47.0 22.9 9 9 A V E -ab 33 88A 0 23,-1.4 25,-0.6 -2,-0.4 3,-0.3 -0.946 12.9-144.5-125.1 116.6 -15.5 50.3 22.5 10 10 A T S S+ 0 0 7 78,-2.0 24,-0.1 -2,-0.5 25,-0.1 -0.235 82.9 12.7 -69.3 164.1 -12.5 51.3 24.7 11 11 A G S S+ 0 0 20 1,-0.1 6,-0.3 79,-0.1 24,-0.3 0.866 85.6 140.6 31.2 69.5 -12.0 54.9 25.6 12 12 A S + 0 0 0 22,-4.5 23,-0.2 -3,-0.3 -1,-0.1 0.097 29.8 98.2-127.7 24.3 -15.5 55.8 24.4 13 13 A T S S- 0 0 26 21,-0.5 2,-0.3 1,-0.1 22,-0.1 0.533 101.2 -5.7 -86.1 -5.8 -16.9 58.3 27.0 14 14 A S S >> S+ 0 0 71 -3,-0.1 4,-1.0 23,-0.0 3,-0.8 -0.978 107.3 22.8-170.7 174.1 -15.9 61.1 24.6 15 15 A G H 3> S- 0 0 30 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.228 118.1 -13.1 61.2-144.2 -14.2 62.0 21.3 16 16 A I H 3> S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.810 135.0 59.5 -61.1 -34.8 -13.7 59.4 18.5 17 17 A G H X> S+ 0 0 1 -3,-0.8 4,-2.1 -6,-0.3 3,-0.8 0.974 106.8 44.6 -59.6 -54.4 -14.6 56.6 20.9 18 18 A L H 3X S+ 0 0 22 -4,-1.0 4,-2.3 1,-0.3 -2,-0.2 0.876 108.7 56.4 -58.3 -42.0 -18.0 58.0 21.6 19 19 A A H 3X S+ 0 0 16 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.805 109.4 49.1 -61.2 -28.4 -18.8 58.8 18.0 20 20 A M H S+ 0 0 1 -4,-2.5 5,-2.5 2,-0.2 -1,-0.2 0.885 109.2 48.0 -68.9 -37.0 -22.6 51.1 16.0 25 25 A A H ><5S+ 0 0 0 -4,-1.9 3,-2.4 -3,-0.4 -2,-0.2 0.932 109.2 53.7 -66.0 -44.3 -25.7 51.5 18.1 26 26 A K H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.4 56.1 -60.1 -28.8 -27.3 53.3 15.1 27 27 A A T 3<5S- 0 0 17 -4,-1.2 -25,-1.1 -5,-0.2 -1,-0.3 0.503 132.4 -99.3 -81.2 -3.4 -26.5 50.2 13.1 28 28 A G T < 5S+ 0 0 18 -3,-2.4 -24,-1.3 1,-0.3 2,-0.3 0.675 75.3 141.6 96.6 21.6 -28.4 48.4 15.7 29 29 A A < - 0 0 0 -5,-2.5 -1,-0.3 -26,-0.2 2,-0.2 -0.744 51.5-125.1-100.9 143.2 -25.7 47.0 18.0 30 30 A D E -a 6 0A 31 -25,-2.2 -23,-3.0 -2,-0.3 2,-0.4 -0.610 38.7-156.6 -76.7 143.0 -25.7 46.7 21.8 31 31 A V E -ac 7 57A 0 25,-2.0 27,-2.5 -2,-0.2 2,-0.7 -0.961 26.1-149.4-134.3 148.2 -22.6 48.5 23.1 32 32 A V E -ac 8 58A 0 -25,-1.6 -23,-1.4 -2,-0.4 27,-0.2 -0.859 25.5-157.0-111.0 92.9 -20.4 48.6 26.2 33 33 A I E -ac 9 59A 4 25,-1.6 27,-2.0 -2,-0.7 2,-0.3 -0.346 15.0-175.6 -67.2 150.1 -19.1 52.2 26.6 34 34 A N E + c 0 60A 2 -25,-0.6 -22,-4.5 25,-0.2 -21,-0.5 -0.997 23.6 71.3-150.3 149.0 -15.9 52.6 28.5 35 35 A G - 0 0 7 25,-0.7 27,-0.3 -2,-0.3 2,-0.3 -0.976 63.7 -55.3 148.4-161.1 -13.7 55.4 29.8 36 36 A F + 0 0 118 -2,-0.3 2,-0.3 25,-0.1 -23,-0.1 -0.798 61.5 83.6-121.5 163.3 -13.3 58.3 32.3 37 37 A G S S- 0 0 55 -2,-0.3 -2,-0.0 4,-0.0 -23,-0.0 -0.916 78.2 -22.9 143.8-171.2 -15.2 61.4 33.3 38 38 A Q > - 0 0 131 -2,-0.3 4,-1.7 1,-0.2 5,-0.3 -0.658 55.6-133.8 -76.2 118.1 -18.0 62.8 35.5 39 39 A P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.826 103.5 61.2 -38.3 -42.7 -20.4 59.8 36.3 40 40 A E H >> S+ 0 0 147 2,-0.2 4,-2.8 1,-0.2 3,-0.7 0.973 107.2 40.4 -50.4 -68.1 -23.3 62.1 35.4 41 41 A D H 3> S+ 0 0 57 -3,-0.3 4,-3.5 1,-0.3 5,-0.3 0.942 112.3 55.0 -45.9 -61.9 -22.2 62.8 31.8 42 42 A I H 3X S+ 0 0 11 -4,-1.7 4,-2.2 1,-0.3 -1,-0.3 0.834 113.2 44.5 -42.4 -40.1 -21.2 59.2 31.2 43 43 A E H X S+ 0 0 41 -4,-2.2 4,-1.2 -5,-0.3 3,-1.1 0.942 116.9 51.8 -70.1 -49.1 -25.0 55.9 27.9 47 47 A S H 3X S+ 0 0 47 -4,-3.5 4,-0.9 1,-0.3 -2,-0.2 0.879 105.5 56.1 -52.0 -43.6 -28.6 56.6 28.7 48 48 A T H 3X S+ 0 0 34 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.3 0.749 98.5 62.5 -65.6 -24.6 -28.9 58.6 25.5 49 49 A L H - 0 0 85 -2,-0.2 3,-1.9 1,-0.2 7,-0.3 -0.692 24.6-165.0 -82.2 92.5 -7.9 51.9 33.3 64 64 A L T 3 S+ 0 0 7 -2,-1.5 -1,-0.2 1,-0.3 57,-0.1 0.299 74.7 82.7 -66.0 9.7 -6.8 50.0 30.2 65 65 A S T 3 S+ 0 0 53 1,-0.1 2,-0.6 51,-0.1 -1,-0.3 0.628 79.6 77.7 -86.2 -13.9 -3.1 50.8 30.9 66 66 A D S <> S- 0 0 79 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 -0.863 77.2-147.1 -99.7 115.6 -3.2 47.8 33.3 67 67 A A H > S+ 0 0 32 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.914 95.2 39.6 -45.2 -63.3 -3.0 44.4 31.6 68 68 A Q H > S+ 0 0 109 2,-0.2 4,-3.9 1,-0.2 5,-0.4 0.941 114.4 52.8 -57.9 -49.5 -5.1 42.4 34.0 69 69 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 111.5 48.7 -50.1 -48.0 -7.7 45.1 34.6 70 70 A T H X S+ 0 0 4 -4,-3.0 4,-1.5 -7,-0.3 -1,-0.2 0.940 113.0 46.1 -57.9 -50.3 -8.0 45.3 30.8 71 71 A R H X S+ 0 0 47 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.925 112.2 49.8 -60.7 -44.7 -8.4 41.6 30.5 72 72 A D H X S+ 0 0 66 -4,-3.9 4,-2.1 -5,-0.2 -1,-0.2 0.842 107.7 62.3 -62.3 -29.0 -10.9 41.5 33.4 73 73 A F H >X S+ 0 0 6 -4,-2.0 4,-2.9 -5,-0.4 3,-1.6 0.977 101.6 42.2 -57.1 -83.6 -12.6 44.3 31.5 74 74 A I H 3X S+ 0 0 3 -4,-1.5 4,-3.7 1,-0.3 5,-0.2 0.786 113.4 57.8 -32.9 -42.8 -13.6 42.6 28.2 75 75 A A H 3X S+ 0 0 56 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.3 0.935 113.3 36.4 -57.8 -49.8 -14.6 39.6 30.3 76 76 A K H S+ 0 0 11 -4,-3.7 4,-2.7 -5,-0.3 5,-1.5 0.901 108.6 56.3 -61.0 -43.6 -18.9 40.4 27.5 79 79 A E H <5S+ 0 0 166 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.939 109.9 45.5 -54.7 -48.2 -20.9 39.2 30.6 80 80 A A H <5S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 119.2 40.9 -61.0 -47.3 -23.0 42.4 30.4 81 81 A L H <5S- 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.693 104.7-131.3 -74.1 -21.6 -23.5 42.1 26.7 82 82 A G T <5S+ 0 0 49 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.966 80.2 15.1 66.6 51.6 -24.0 38.4 26.9 83 83 A G S > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.429 48.0-108.5 -69.6 151.3 12.0 65.3 21.1 99 99 A I G >4 S+ 0 0 0 1,-0.3 3,-2.7 2,-0.2 807,-0.1 0.926 113.5 58.7 -43.8 -78.9 13.4 61.9 22.0 100 100 A E G 34 S+ 0 0 52 1,-0.3 -1,-0.3 805,-0.1 806,-0.0 0.657 121.9 33.1 -27.0 -23.3 16.5 62.8 24.0 101 101 A E G <4 S+ 0 0 132 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.598 80.0 126.6-114.6 -17.3 13.9 64.5 26.3 102 102 A F S << S- 0 0 3 -3,-2.7 -5,-0.1 -4,-1.6 5,-0.0 -0.194 72.6-107.5 -46.5 120.6 10.8 62.4 26.1 103 103 A P > - 0 0 57 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.259 19.5-137.4 -52.9 136.4 9.9 61.6 29.7 104 104 A V H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.889 104.2 53.2 -64.7 -37.5 10.6 58.0 30.4 105 105 A D H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.805 107.6 50.9 -68.0 -29.4 7.4 57.7 32.4 106 106 A K H > S+ 0 0 97 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.913 105.7 55.7 -73.0 -43.8 5.4 59.1 29.4 107 107 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.943 109.5 45.9 -53.7 -49.5 7.0 56.6 27.0 108 108 A N H X S+ 0 0 71 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.840 111.2 54.7 -63.4 -32.1 5.8 53.7 29.2 109 109 A A H X S+ 0 0 32 -4,-1.2 4,-1.3 2,-0.2 5,-0.3 0.910 109.8 43.9 -68.0 -45.7 2.4 55.2 29.5 110 110 A I H X>S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.6 0.939 115.2 48.6 -66.9 -46.1 1.7 55.6 25.8 111 111 A I H X>S+ 0 0 10 -4,-2.3 5,-3.2 -5,-0.3 4,-1.1 0.915 110.1 52.7 -59.3 -43.3 3.1 52.1 25.0 112 112 A A H <>S+ 0 0 25 -4,-2.1 5,-0.7 -5,-0.2 -1,-0.2 0.775 125.8 22.4 -63.6 -29.6 1.0 50.6 27.8 113 113 A L H <5S+ 0 0 18 -4,-1.3 5,-0.2 -3,-0.4 -2,-0.2 0.851 124.8 45.9-103.2 -54.1 -2.3 52.1 26.5 114 114 A N H <5S+ 0 0 1 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.642 136.4 5.9 -67.5 -17.9 -1.8 52.9 22.8 115 115 A L T >X> S+ 0 0 9 -3,-1.4 4,-2.3 -5,-0.2 -1,-0.3 0.886 108.1 47.0 -67.2 -39.5 -4.6 46.5 22.2 119 119 A F H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.4 3,-1.1 0.938 95.3 66.7 -63.7 -50.3 -11.6 38.8 23.3 126 126 A L H 3X S+ 0 0 0 -4,-2.9 4,-4.0 1,-0.2 5,-0.3 0.787 91.0 59.4 -42.8 -49.4 -10.4 36.1 20.7 127 127 A P H 3> S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 109.9 46.1 -50.3 -43.4 -11.5 32.9 22.6 128 128 A I H S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-1.4 0.910 116.0 51.3 -60.5 -42.3 -15.1 35.2 19.0 130 130 A Q H <5S+ 0 0 52 -4,-4.0 -1,-0.2 2,-0.2 -2,-0.2 0.952 109.4 50.2 -57.1 -51.7 -13.2 32.1 18.0 131 131 A K H <5S+ 0 0 181 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.914 114.7 44.6 -52.4 -48.9 -15.7 29.9 19.9 132 132 A Q H <5S- 0 0 82 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.968 106.6-127.1 -61.8 -56.8 -18.6 31.7 18.2 133 133 A G T <5S+ 0 0 36 -4,-3.4 2,-0.3 1,-0.3 -3,-0.2 0.570 79.0 70.1 113.1 19.7 -17.1 31.5 14.7 134 134 A W < + 0 0 59 -5,-1.4 -1,-0.3 45,-0.0 2,-0.3 -0.959 51.9 147.3-162.6 144.5 -17.4 35.2 13.9 135 135 A G E - e 0 178A 0 42,-1.5 44,-2.2 -2,-0.3 2,-0.4 -0.915 30.9-147.2-179.6 151.9 -15.8 38.4 15.0 136 136 A R E -de 86 179A 2 -51,-2.5 -49,-2.1 -2,-0.3 2,-0.6 -0.925 12.7-173.6-131.6 105.5 -14.6 41.9 14.2 137 137 A I E -de 87 180A 1 42,-2.9 44,-1.8 -2,-0.4 2,-0.6 -0.901 10.5-170.1 -98.6 120.2 -11.5 43.3 16.0 138 138 A I E - e 0 181A 2 -51,-3.9 -49,-0.5 -2,-0.6 2,-0.4 -0.846 2.6-165.6-118.9 96.1 -11.1 46.9 15.0 139 139 A N E - e 0 182A 0 42,-2.4 44,-1.4 -2,-0.6 2,-1.1 -0.649 13.7-142.8 -83.2 129.9 -7.9 48.6 16.1 140 140 A I E + e 0 183A 14 -51,-2.7 44,-0.2 -2,-0.4 42,-0.1 -0.725 39.1 150.0 -95.2 91.2 -7.8 52.4 15.9 141 141 A A - 0 0 3 42,-1.4 2,-0.2 -2,-1.1 43,-0.2 0.702 30.5-140.4 -85.0-112.5 -4.2 53.2 14.8 142 142 A S > - 0 0 9 42,-0.2 3,-2.2 17,-0.2 4,-0.3 -0.878 34.7 -76.7 160.5 167.8 -3.5 56.4 12.8 143 143 A A G >> S+ 0 0 0 42,-2.5 3,-2.9 1,-0.3 4,-2.4 0.917 125.6 65.9 -52.8 -42.0 -1.6 57.9 9.9 144 144 A H G 34 S+ 0 0 6 41,-0.3 16,-0.4 1,-0.3 -1,-0.3 0.278 89.5 65.5 -65.8 13.1 1.2 57.9 12.5 145 145 A G G <4 S+ 0 0 4 -3,-2.2 -1,-0.3 14,-0.2 -2,-0.2 0.468 113.6 29.9-108.7 -10.7 1.1 54.1 12.3 146 146 A L T <4 S+ 0 0 55 -3,-2.9 2,-0.2 -4,-0.3 -2,-0.2 0.645 132.5 18.4-115.1 -34.9 2.3 54.2 8.7 147 147 A V S < S- 0 0 14 -4,-2.4 2,-0.3 -5,-0.1 635,-0.2 -0.736 77.9-116.0-130.4 178.5 4.4 57.4 8.7 148 148 A A - 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