==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-13 4K6C . COMPND 2 MOLECULE: ACETOACETYL-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.9 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 . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 2 0 0 0 2 3 3 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 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 3 A K 0 0 119 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -54.1 23.8 71.8 -5.7 2 4 A R - 0 0 54 1,-0.1 25,-2.6 79,-0.1 2,-0.5 -0.133 360.0-148.9 -84.5 147.7 21.7 68.8 -4.2 3 5 A I E -a 27 0A 7 76,-0.3 79,-2.0 23,-0.2 78,-1.9 -0.953 18.9-165.9-111.6 125.0 18.8 69.1 -1.8 4 6 A A E -ab 28 82A 0 23,-2.7 25,-3.3 -2,-0.5 2,-0.5 -0.920 13.0-157.8-119.2 136.5 18.4 66.2 0.6 5 7 A V E -ab 29 83A 0 77,-2.5 79,-3.1 -2,-0.4 2,-0.5 -0.982 8.5-173.9-112.1 127.3 15.5 65.2 2.9 6 8 A V E > -ab 30 84A 0 23,-2.4 25,-1.5 -2,-0.5 3,-1.1 -0.969 16.6-145.3-122.4 107.2 16.3 63.0 5.9 7 9 A T E 3 S+a 31 0A 3 77,-2.2 79,-0.3 -2,-0.5 25,-0.1 -0.530 90.3 17.6 -73.0 139.2 13.2 61.7 7.7 8 10 A G T > S+ 0 0 28 23,-1.0 3,-1.1 -2,-0.2 6,-0.3 0.839 88.4 153.2 71.6 21.7 13.9 61.5 11.5 9 11 A G T < + 0 0 0 -3,-1.1 9,-0.2 22,-0.9 10,-0.2 0.458 49.6 65.2 -68.5 -5.5 16.8 63.8 10.8 10 12 A M T 3 S+ 0 0 21 21,-0.4 2,-0.3 8,-0.1 -1,-0.2 0.411 102.0 38.5-100.3 -3.0 17.2 65.5 14.2 11 13 A G S X> S- 0 0 41 -3,-1.1 4,-1.0 175,-0.0 3,-0.8 -0.990 102.3 -17.4-147.0 154.9 18.1 62.6 16.4 12 14 A G H 3> S- 0 0 35 -2,-0.3 4,-1.6 1,-0.3 3,-0.3 -0.141 123.8 -7.1 64.0-136.6 20.1 59.4 16.5 13 15 A L H 3> S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.909 134.5 60.2 -59.4 -41.8 21.2 57.9 13.1 14 16 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -6,-0.3 -2,-0.2 0.857 103.5 51.5 -55.9 -40.3 19.2 60.5 11.3 15 17 A E H X S+ 0 0 49 -4,-1.0 4,-2.8 -3,-0.3 -1,-0.2 0.917 107.9 50.0 -58.6 -47.7 21.2 63.2 12.9 16 18 A A H X S+ 0 0 11 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.885 112.7 48.4 -62.4 -42.0 24.5 61.7 11.9 17 19 A V H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.924 110.8 49.6 -60.2 -46.1 23.2 61.4 8.3 18 20 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -9,-0.2 -2,-0.2 0.939 113.0 47.9 -63.5 -45.4 21.9 65.0 8.2 19 21 A I H X S+ 0 0 38 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.934 113.2 47.5 -56.6 -50.7 25.3 66.2 9.5 20 22 A R H X S+ 0 0 110 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.923 111.9 48.2 -62.2 -45.3 27.3 64.2 7.0 21 23 A L H <>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 4,-0.3 0.896 111.4 51.1 -65.2 -38.8 25.3 65.1 4.0 22 24 A N H ><5S+ 0 0 34 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.940 110.2 49.0 -55.5 -48.2 25.5 68.8 5.0 23 25 A D H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.728 103.1 62.6 -72.1 -16.4 29.2 68.5 5.3 24 26 A A T 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.531 127.6 -96.2 -83.1 -5.1 29.3 66.8 1.9 25 27 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.391 82.2 130.8 108.6 -3.2 28.0 70.0 0.4 26 28 A H < - 0 0 21 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.3 -0.449 61.0-120.3 -82.9 154.8 24.3 69.2 0.2 27 29 A R E -a 3 0A 126 -25,-2.6 -23,-2.7 -2,-0.1 2,-0.4 -0.869 38.5-150.0 -89.6 114.9 21.4 71.4 1.5 28 30 A V E -a 4 0A 2 -2,-0.7 26,-1.6 24,-0.4 2,-0.4 -0.744 20.0-174.9-105.6 127.3 19.7 69.3 4.1 29 31 A V E -ac 5 54A 1 -25,-3.3 -23,-2.4 -2,-0.4 2,-0.3 -0.977 12.2-163.0-110.7 132.4 16.1 69.3 5.2 30 32 A V E -ac 6 55A 0 24,-2.9 26,-2.8 -2,-0.4 2,-0.4 -0.830 5.0-149.0-111.4 157.0 14.9 67.1 8.1 31 33 A T E +ac 7 56A 3 -25,-1.5 -23,-1.0 -2,-0.3 -22,-0.9 -0.908 14.4 179.2-120.1 152.5 11.5 66.0 9.2 32 34 A Y E - c 0 57A 49 24,-1.8 26,-2.7 -2,-0.4 -25,-0.0 -0.960 38.4 -87.4-144.7 157.2 10.2 65.3 12.7 33 35 A S > - 0 0 59 -2,-0.3 3,-2.0 24,-0.2 26,-0.2 -0.405 37.4-122.1 -64.1 141.2 6.8 64.2 14.2 34 36 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.732 112.8 57.2 -59.6 -23.5 4.5 67.0 14.9 35 37 A N T 3 S+ 0 0 146 2,-0.0 2,-0.6 0, 0.0 -2,-0.0 0.474 82.0 99.8 -86.2 -3.7 4.4 66.0 18.7 36 38 A N < - 0 0 76 -3,-2.0 3,-0.3 1,-0.1 -4,-0.1 -0.760 52.5-173.3 -78.2 117.8 8.3 66.3 18.9 37 39 A T + 0 0 144 -2,-0.6 4,-0.3 1,-0.2 3,-0.3 0.203 61.2 90.7 -98.5 15.2 8.9 69.7 20.6 38 40 A G > + 0 0 21 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.355 49.7 100.6 -92.0 6.6 12.7 69.6 20.1 39 41 A A H > S+ 0 0 12 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.925 83.2 47.1 -65.7 -47.4 13.2 71.3 16.7 40 42 A D H > S+ 0 0 124 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.920 113.2 50.9 -59.8 -41.2 14.2 74.8 18.0 41 43 A R H > S+ 0 0 197 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.936 112.5 45.7 -60.6 -43.9 16.7 73.1 20.4 42 44 A W H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.941 113.3 48.5 -69.8 -43.9 18.2 71.0 17.6 43 45 A L H X S+ 0 0 56 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.882 110.3 52.3 -58.6 -41.8 18.5 73.9 15.1 44 46 A T H X S+ 0 0 82 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.927 111.8 45.8 -60.4 -47.1 20.0 76.1 17.7 45 47 A E H X S+ 0 0 117 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.928 114.2 48.1 -60.7 -47.9 22.7 73.5 18.5 46 48 A M H <>S+ 0 0 5 -4,-2.6 5,-2.7 1,-0.2 3,-0.4 0.909 110.6 51.6 -62.5 -45.9 23.3 72.9 14.8 47 49 A H H ><5S+ 0 0 115 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.879 106.9 53.2 -55.4 -42.5 23.6 76.6 14.1 48 50 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.6 52.3 -69.2 -22.4 26.1 77.0 16.9 49 51 A A T 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.340 125.3-104.6 -92.0 8.7 28.2 74.2 15.3 50 52 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.640 80.3 122.9 83.1 13.8 28.1 76.1 12.0 51 53 A R < - 0 0 58 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.903 46.1-153.3-112.3 138.8 25.4 74.0 10.1 52 54 A E + 0 0 118 -2,-0.4 -24,-0.4 -3,-0.1 2,-0.3 -0.932 23.2 166.1-111.0 124.8 22.3 75.4 8.6 53 55 A F - 0 0 20 -2,-0.5 2,-0.4 -10,-0.1 -24,-0.2 -0.906 30.9-135.8-128.5 159.3 19.2 73.1 8.2 54 56 A H E -c 29 0A 85 -26,-1.6 -24,-2.9 -2,-0.3 2,-0.4 -0.935 22.3-162.8-107.7 142.5 15.5 73.4 7.6 55 57 A A E -c 30 0A 24 -2,-0.4 -24,-0.2 -26,-0.2 -26,-0.0 -0.995 6.3-173.5-128.7 132.8 13.2 71.2 9.7 56 58 A Y E -c 31 0A 33 -26,-2.8 -24,-1.8 -2,-0.4 2,-0.2 -0.983 24.3-122.2-129.1 137.1 9.5 70.4 8.9 57 59 A P E +c 32 0A 67 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.531 42.8 158.8 -70.7 137.9 6.8 68.5 10.9 58 60 A V - 0 0 5 -26,-2.7 2,-0.7 -2,-0.2 8,-0.1 -0.968 42.6-137.2-156.2 148.8 5.4 65.5 9.2 59 61 A D > - 0 0 73 -2,-0.3 3,-2.3 3,-0.2 7,-0.3 -0.905 18.6-165.5-104.0 102.8 3.6 62.3 10.0 60 62 A V T 3 S+ 0 0 11 -2,-0.7 56,-0.2 1,-0.3 -1,-0.1 0.742 85.2 63.2 -66.1 -18.8 5.4 59.8 7.8 61 63 A A T 3 S+ 0 0 13 -3,-0.1 2,-0.6 55,-0.1 -1,-0.3 0.623 93.1 76.5 -74.0 -12.5 2.5 57.2 8.4 62 64 A D <> - 0 0 71 -3,-2.3 4,-2.0 1,-0.2 5,-0.2 -0.887 68.0-154.6-113.2 121.2 0.1 59.6 6.7 63 65 A H H > S+ 0 0 31 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.901 95.1 43.1 -62.4 -43.7 0.1 59.9 2.9 64 66 A D H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.848 109.3 58.1 -74.2 -34.6 -1.3 63.4 2.7 65 67 A S H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 111.0 43.0 -56.8 -43.5 0.8 64.7 5.5 66 68 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.3 -2,-0.2 0.892 112.2 52.6 -70.3 -41.2 3.9 63.6 3.5 67 69 A Q H X S+ 0 0 73 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 112.6 44.9 -61.6 -45.1 2.6 65.0 0.2 68 70 A Q H X S+ 0 0 124 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.876 111.4 53.6 -67.5 -38.0 1.9 68.4 1.7 69 71 A C H X S+ 0 0 10 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.930 110.5 46.0 -61.6 -47.7 5.3 68.4 3.5 70 72 A I H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.886 109.7 54.3 -63.4 -43.2 7.2 67.8 0.3 71 73 A E H X S+ 0 0 92 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.930 111.3 47.5 -56.5 -39.9 5.2 70.4 -1.6 72 74 A K H X S+ 0 0 18 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.936 110.2 50.7 -69.7 -41.7 6.2 72.9 1.1 73 75 A I H X>S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-2.2 0.890 109.8 50.4 -61.9 -40.0 9.8 71.9 0.9 74 76 A V H <5S+ 0 0 65 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.913 114.3 45.1 -66.3 -39.0 9.8 72.3 -2.8 75 77 A R H <5S+ 0 0 179 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.899 123.5 32.5 -67.1 -44.5 8.2 75.9 -2.4 76 78 A D H <5S+ 0 0 97 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.755 139.1 10.5 -91.8 -26.9 10.5 77.1 0.4 77 79 A V T <5S- 0 0 18 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.710 104.2-103.3-119.2 -56.1 13.8 75.3 -0.4 78 80 A G < - 0 0 9 -5,-2.2 -1,-0.2 -75,-0.0 -2,-0.1 -0.878 54.3 -27.3 147.3 179.3 13.7 73.6 -3.9 79 81 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 -76,-0.3 -0.261 63.5-115.2 -64.7 144.0 13.3 70.2 -5.7 80 82 A V + 0 0 6 1,-0.2 -76,-0.2 -78,-0.1 45,-0.1 -0.732 38.8 166.6 -89.8 121.5 14.3 67.1 -3.8 81 83 A D + 0 0 16 -78,-1.9 51,-1.7 -2,-0.6 2,-0.4 0.627 69.4 38.7 -95.4 -32.4 17.3 65.3 -5.3 82 84 A I E -bd 4 132A 0 -79,-2.0 -77,-2.5 49,-0.2 2,-0.4 -0.999 61.3-177.1-129.0 124.9 18.2 63.0 -2.3 83 85 A L E -bd 5 133A 0 49,-2.5 51,-2.7 -2,-0.4 2,-0.6 -0.982 5.4-170.1-123.6 127.6 15.7 61.2 0.1 84 86 A V E -bd 6 134A 0 -79,-3.1 -77,-2.2 -2,-0.4 2,-1.3 -0.948 11.9-154.5-113.5 110.1 16.8 59.2 3.0 85 87 A N E + d 0 135A 2 49,-2.7 51,-2.7 -2,-0.6 -79,-0.1 -0.746 41.2 141.9 -83.9 89.2 13.9 57.2 4.6 86 88 A N + 0 0 24 -2,-1.3 -1,-0.2 -79,-0.3 -78,-0.1 0.616 28.9 111.1-104.8 -25.4 15.4 56.9 8.1 87 89 A A + 0 0 16 -3,-0.3 2,-0.3 26,-0.1 -79,-0.1 -0.263 39.2 127.1 -58.8 141.5 12.2 57.3 10.2 88 90 A G - 0 0 37 25,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.913 34.5-152.3 174.3 156.6 11.0 54.3 12.0 89 91 A I - 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