==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-13 4K6F . COMPND 2 MOLECULE: PUTATIVE ACETOACETYL-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 976 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 13.5 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 . 57 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.7 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 4 4 1 3 0 1 3 4 8 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 16 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 3 A K 0 0 178 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 153.1 4.4 -37.7 16.1 2 4 A R - 0 0 67 23,-0.2 25,-2.8 76,-0.0 2,-0.5 -0.712 360.0-128.2 -79.9 152.7 1.5 -35.4 15.6 3 5 A I E -a 27 0A 12 73,-0.3 75,-2.1 -2,-0.3 76,-2.1 -0.909 26.1-165.1-105.1 127.5 1.5 -33.4 12.4 4 6 A A E -ab 28 79A 0 23,-2.9 25,-2.9 -2,-0.5 2,-0.5 -0.934 11.3-158.1-116.9 137.9 1.0 -29.6 12.9 5 7 A V E -ab 29 80A 0 74,-2.6 76,-2.9 -2,-0.4 2,-0.5 -0.961 8.1-172.2-110.4 129.0 0.1 -26.9 10.3 6 8 A V E > -ab 30 81A 0 23,-2.5 25,-1.7 -2,-0.5 3,-1.1 -0.957 15.9-144.4-119.9 111.6 0.9 -23.3 11.2 7 9 A T T 3 S+ 0 0 3 74,-2.4 76,-0.2 -2,-0.5 25,-0.1 -0.520 89.9 13.7 -77.7 143.0 -0.4 -20.7 8.8 8 10 A G T > S+ 0 0 26 23,-0.2 3,-0.8 -2,-0.2 6,-0.3 0.851 89.2 153.7 59.8 36.8 1.9 -17.7 8.3 9 11 A G T < + 0 0 0 -3,-1.1 9,-0.2 22,-0.9 10,-0.1 0.384 48.8 66.7 -84.8 1.0 4.5 -19.9 10.0 10 12 A M T 3 S+ 0 0 40 21,-0.5 2,-0.3 8,-0.1 -1,-0.2 0.525 100.5 38.2-100.3 -7.1 7.8 -18.6 8.6 11 13 A G S X> S- 0 0 41 -3,-0.8 4,-1.4 172,-0.0 3,-0.8 -0.937 103.7 -17.2-137.7 161.8 7.8 -15.1 10.1 12 14 A G H 3> S- 0 0 39 -2,-0.3 4,-1.7 1,-0.3 3,-0.2 -0.040 125.3 -7.0 54.7-136.6 7.0 -13.2 13.3 13 15 A L H 3> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.894 134.6 60.5 -58.8 -40.2 4.7 -15.0 15.8 14 16 A G H <> S+ 0 0 1 -3,-0.8 4,-2.7 -6,-0.3 -2,-0.2 0.902 103.9 49.7 -54.6 -44.1 4.1 -17.8 13.2 15 17 A E H X S+ 0 0 62 -4,-1.4 4,-2.7 -7,-0.2 -1,-0.2 0.904 109.6 50.6 -62.1 -42.6 7.8 -18.6 13.2 16 18 A A H X S+ 0 0 13 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.916 111.9 47.9 -64.8 -40.6 8.0 -18.7 17.0 17 19 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.949 111.2 50.8 -63.2 -46.7 5.0 -21.1 17.0 18 20 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 -9,-0.2 -2,-0.2 0.920 112.3 46.5 -57.5 -47.9 6.5 -23.3 14.3 19 21 A I H X S+ 0 0 40 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.931 113.0 48.6 -58.3 -48.1 9.8 -23.6 16.2 20 22 A R H X S+ 0 0 96 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.918 111.8 48.6 -65.3 -41.2 8.1 -24.3 19.5 21 23 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 3,-0.2 0.895 111.7 49.6 -67.9 -39.8 5.8 -27.0 18.1 22 24 A N H ><5S+ 0 0 32 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.947 111.4 49.3 -56.0 -50.0 8.8 -28.7 16.3 23 25 A D H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 103.5 61.2 -67.3 -17.1 10.7 -28.6 19.6 24 26 A A T 3<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.429 128.5 -96.4 -84.2 -2.4 7.7 -30.1 21.3 25 27 A G T < 5S+ 0 0 29 -3,-2.1 -23,-0.2 1,-0.3 2,-0.2 0.510 80.6 133.1 102.5 5.6 8.0 -33.2 19.1 26 28 A H < - 0 0 15 -5,-2.2 2,-0.7 -25,-0.2 -1,-0.3 -0.596 61.0-121.2 -86.6 149.5 5.5 -32.4 16.3 27 29 A R E -a 3 0A 102 -25,-2.8 -23,-2.9 -2,-0.2 2,-0.4 -0.846 42.3-150.6 -83.1 115.1 6.1 -32.7 12.6 28 30 A V E -a 4 0A 1 -2,-0.7 23,-1.2 21,-0.5 2,-0.4 -0.780 21.9-174.1-107.4 135.9 5.6 -29.1 11.5 29 31 A V E -ac 5 51A 0 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.3 -0.967 11.6-162.2-120.3 134.6 4.3 -27.7 8.2 30 32 A V E -ac 6 52A 0 21,-2.8 23,-2.2 -2,-0.4 2,-0.3 -0.876 4.2-150.3-116.3 151.6 4.2 -24.0 7.6 31 33 A T E - c 0 53A 2 -25,-1.7 -22,-0.9 -2,-0.3 -21,-0.5 -0.871 12.4-174.4-114.5 154.3 2.3 -21.9 5.0 32 34 A Y E - c 0 54A 68 21,-2.0 23,-2.6 -2,-0.3 -25,-0.0 -0.983 32.0-102.2-142.5 153.6 3.3 -18.6 3.4 33 35 A S 0 0 100 -2,-0.3 23,-0.1 21,-0.2 -2,-0.0 -0.558 360.0 360.0 -67.4 135.7 1.7 -16.1 1.0 34 36 A P 0 0 123 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 0.978 360.0 360.0 -61.1 360.0 3.0 -16.5 -2.6 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 41 A A > 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -0.4 11.1 -20.9 1.2 37 42 A D H > + 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 360.0 53.7 -64.9 -36.2 14.5 -22.7 0.7 38 43 A R H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.958 115.2 39.9 -64.7 -49.1 16.6 -20.1 2.6 39 44 A W H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 116.7 50.3 -63.9 -46.1 14.4 -20.4 5.7 40 45 A L H X S+ 0 0 42 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.895 112.6 47.0 -60.3 -39.3 14.1 -24.2 5.3 41 46 A T H X S+ 0 0 76 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.916 112.0 49.7 -72.3 -42.8 17.8 -24.6 4.9 42 47 A E H X S+ 0 0 133 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.896 112.4 47.5 -57.6 -44.1 18.6 -22.4 7.9 43 48 A M H <>S+ 0 0 12 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.892 111.0 52.4 -66.4 -40.3 16.1 -24.3 10.1 44 49 A H H ><5S+ 0 0 133 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.899 104.9 54.5 -58.9 -45.4 17.6 -27.6 8.9 45 50 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.879 106.9 53.5 -56.3 -36.4 21.1 -26.3 9.8 46 51 A A T 3<5S- 0 0 64 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.349 128.2-100.3 -81.7 4.4 19.6 -25.7 13.3 47 52 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.628 85.0 121.7 89.1 16.4 18.4 -29.4 13.5 48 53 A R < - 0 0 57 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.2 -0.957 45.8-158.0-119.4 121.9 14.7 -28.6 12.5 49 54 A E + 0 0 69 -2,-0.5 -21,-0.5 -3,-0.1 2,-0.2 -0.872 22.5 168.2-101.6 110.3 13.0 -30.2 9.5 50 55 A F - 0 0 19 -2,-0.7 2,-0.4 -10,-0.2 -21,-0.2 -0.715 28.5-140.1-109.5 165.2 9.9 -28.3 8.2 51 56 A H E -c 29 0A 63 -23,-1.2 -21,-2.8 -2,-0.2 2,-0.4 -0.953 20.3-160.2-115.6 145.1 7.8 -28.5 5.1 52 57 A A E -c 30 0A 21 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.0 -0.989 8.6-176.0-128.4 136.7 6.6 -25.2 3.6 53 58 A Y E -c 31 0A 28 -23,-2.2 -21,-2.0 -2,-0.4 2,-0.2 -0.996 24.8-128.0-130.2 136.7 3.7 -24.6 1.2 54 59 A P E +c 32 0A 65 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.593 41.8 162.9 -76.5 140.7 2.5 -21.4 -0.5 55 60 A V - 0 0 5 -23,-2.6 2,-0.7 -2,-0.2 3,-0.1 -0.982 42.1-138.3-155.9 146.1 -1.2 -20.7 0.1 56 61 A D > - 0 0 77 -2,-0.3 3,-1.9 3,-0.2 7,-0.3 -0.931 19.2-165.5-103.8 103.6 -3.8 -17.9 -0.1 57 62 A V T 3 S+ 0 0 11 -2,-0.7 56,-0.2 1,-0.3 -1,-0.1 0.712 85.6 62.0 -67.6 -18.5 -5.7 -18.4 3.1 58 63 A A T 3 S+ 0 0 24 1,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.660 92.5 79.1 -74.1 -16.0 -8.5 -16.1 1.8 59 64 A D <> - 0 0 78 -3,-1.9 4,-2.1 1,-0.2 -3,-0.2 -0.846 67.5-157.7-104.1 116.5 -9.1 -18.6 -1.1 60 65 A H H > S+ 0 0 37 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.873 93.6 45.9 -56.0 -46.1 -11.1 -21.7 -0.2 61 66 A D H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 108.4 56.1 -71.7 -37.1 -9.8 -23.9 -3.1 62 67 A S H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 110.3 46.7 -56.6 -44.1 -6.2 -22.8 -2.4 63 68 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.3 -2,-0.2 0.910 111.3 49.7 -66.4 -43.4 -6.6 -24.1 1.2 64 69 A Q H X S+ 0 0 85 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.933 113.0 47.4 -61.1 -45.7 -8.2 -27.4 0.2 65 70 A Q H X S+ 0 0 51 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.855 110.4 52.9 -65.6 -35.6 -5.4 -28.1 -2.4 66 71 A C H X S+ 0 0 10 -4,-2.0 4,-2.2 -5,-0.2 3,-0.2 0.944 107.9 49.6 -64.6 -47.7 -2.7 -27.2 0.2 67 72 A I H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.865 106.6 57.3 -61.9 -35.8 -4.1 -29.6 2.7 68 73 A E H X S+ 0 0 124 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.907 107.8 47.1 -58.9 -44.2 -4.2 -32.4 0.0 69 74 A K H X S+ 0 0 31 -4,-1.6 4,-3.1 -3,-0.2 5,-0.3 0.877 110.9 52.5 -65.2 -39.5 -0.4 -31.9 -0.6 70 75 A I H X>S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-1.9 0.925 107.9 49.2 -64.3 -43.9 0.3 -32.0 3.1 71 76 A V H <5S+ 0 0 69 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.889 116.8 45.0 -64.5 -34.2 -1.6 -35.2 3.7 72 77 A R H <5S+ 0 0 208 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.943 121.8 34.1 -70.6 -51.7 0.4 -36.7 0.7 73 78 A D H <5S+ 0 0 85 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.804 141.5 4.9 -78.4 -32.0 3.8 -35.4 1.6 74 79 A V T <5S- 0 0 18 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.743 102.9-106.9-120.6 -61.3 3.6 -35.6 5.4 75 80 A G < - 0 0 9 -5,-1.9 -1,-0.2 -6,-0.0 -3,-0.1 -0.912 56.1 -19.0 147.9-174.0 0.4 -37.2 6.6 76 81 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 -73,-0.3 -0.273 68.5-112.0 -63.5 142.0 -3.0 -36.4 8.2 77 82 A V + 0 0 6 1,-0.1 -73,-0.2 -75,-0.1 45,-0.1 -0.663 39.0 168.2 -83.4 122.2 -3.2 -33.1 10.1 78 83 A D + 0 0 16 -75,-2.1 51,-1.8 -2,-0.5 2,-0.4 0.736 68.4 36.4 -95.7 -32.1 -3.6 -33.4 13.9 79 84 A I E -bd 4 129A 0 -76,-2.1 -74,-2.6 49,-0.2 2,-0.4 -0.991 60.9-173.7-131.1 130.5 -2.9 -29.8 14.9 80 85 A L E -bd 5 130A 0 49,-2.6 51,-2.7 -2,-0.4 2,-0.6 -0.988 3.8-170.1-127.5 123.0 -3.9 -26.5 13.1 81 86 A V E -bd 6 131A 0 -76,-2.9 -74,-2.4 -2,-0.4 2,-1.4 -0.953 11.8-154.7-108.3 109.1 -2.8 -23.1 14.2 82 87 A N E + d 0 132A 3 49,-2.5 51,-2.6 -2,-0.6 -76,-0.1 -0.708 41.2 140.4 -82.3 90.3 -4.7 -20.4 12.3 83 88 A N + 0 0 23 -2,-1.4 -1,-0.2 -76,-0.2 -75,-0.1 0.678 26.8 111.5-105.1 -25.6 -2.1 -17.6 12.7 84 89 A A + 0 0 17 -3,-0.3 2,-0.3 26,-0.1 -76,-0.1 -0.226 40.1 133.4 -57.3 137.3 -2.2 -15.9 9.2 85 90 A G - 0 0 37 25,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.920 33.0-154.5-177.8 156.2 -3.7 -12.4 9.3 86 91 A I - 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