==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-DEC-12 4IIU . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.HOU,T.OSINSKI,H.ZHENG,I.SHUMILIN,I.SHABALIN,S.SHATSMAN, . 967 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.1 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 . 75 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 3.3 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 4 0 0 0 4 0 4 8 4 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 1 A M 0 0 117 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.9 55.6 67.2 6.7 2 2 A S - 0 0 113 25,-0.1 2,-0.5 1,-0.0 25,-0.1 -0.720 360.0-145.1 -66.0 123.1 53.9 68.4 3.6 3 3 A R - 0 0 64 -2,-0.5 25,-2.3 23,-0.3 2,-0.3 -0.858 8.4-148.4-104.7 131.3 51.1 65.9 3.2 4 4 A S E -a 28 0A 13 -2,-0.5 78,-2.7 76,-0.4 79,-2.3 -0.743 8.2-164.1-102.3 147.0 50.0 64.8 -0.2 5 5 A V E -ab 29 83A 0 23,-2.6 25,-2.8 -2,-0.3 2,-0.5 -0.996 12.1-143.7-132.5 124.2 46.5 63.7 -1.3 6 6 A L E -ab 30 84A 0 77,-2.4 79,-3.4 -2,-0.4 2,-0.5 -0.780 16.0-170.4 -83.5 126.6 45.5 61.9 -4.4 7 7 A V E > -ab 31 85A 0 23,-2.5 25,-1.8 -2,-0.5 3,-0.6 -0.944 10.4-150.8-120.5 107.6 42.2 63.0 -5.9 8 8 A T T 3 S+ 0 0 0 77,-2.4 79,-0.2 -2,-0.5 25,-0.1 -0.486 80.4 21.1 -74.3 149.7 40.9 60.8 -8.7 9 9 A G T > S+ 0 0 15 -2,-0.1 3,-0.6 78,-0.1 6,-0.5 0.896 75.7 148.3 59.4 45.2 38.7 62.5 -11.3 10 10 A A T < + 0 0 0 22,-2.3 23,-0.2 -3,-0.6 -1,-0.1 0.337 46.9 87.0 -91.8 4.4 40.1 66.0 -10.4 11 11 A S T 3 S- 0 0 10 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.605 103.4 -8.3 -78.3 -13.7 39.7 67.3 -14.0 12 12 A K S X> S+ 0 0 112 -3,-0.6 4,-1.8 28,-0.0 3,-0.7 -0.972 104.5 10.4-164.0 172.7 36.0 68.3 -13.4 13 13 A G H 3> S- 0 0 28 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.034 117.8 -5.7 58.4-137.3 33.0 68.3 -11.1 14 14 A I H 3> S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 133.9 55.2 -63.9 -41.2 33.3 67.0 -7.5 15 15 A G H <> S+ 0 0 0 -3,-0.7 4,-2.8 -6,-0.5 -5,-0.3 0.912 108.0 48.4 -61.9 -43.9 36.9 65.9 -7.9 16 16 A R H X S+ 0 0 82 -4,-1.8 4,-2.5 -7,-0.4 -1,-0.2 0.926 112.4 48.8 -57.7 -47.3 38.0 69.3 -9.1 17 17 A A H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 112.3 48.3 -63.8 -40.6 36.2 71.0 -6.1 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.937 110.9 51.4 -63.9 -45.8 37.8 68.5 -3.7 19 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.925 111.8 46.7 -55.6 -48.0 41.2 69.1 -5.2 20 20 A R H X S+ 0 0 91 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.929 114.4 46.4 -62.2 -46.4 40.8 72.9 -4.8 21 21 A Q H X S+ 0 0 67 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 113.4 46.8 -65.0 -46.3 39.5 72.8 -1.3 22 22 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.4 0.858 111.2 53.2 -67.3 -33.0 42.2 70.4 0.0 23 23 A A H ><5S+ 0 0 6 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 0.936 108.5 49.6 -63.0 -46.7 44.9 72.4 -1.7 24 24 A A H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.855 105.1 58.5 -58.4 -36.6 43.6 75.6 0.1 25 25 A D T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.621 128.8-101.8 -67.1 -15.4 43.7 73.5 3.4 26 26 A G T < 5S+ 0 0 62 -3,-1.5 -23,-0.3 -4,-0.4 2,-0.2 0.418 76.0 137.0 109.3 1.1 47.4 73.1 2.6 27 27 A F < - 0 0 13 -5,-2.3 2,-0.6 -25,-0.1 26,-0.5 -0.538 57.3-121.1 -76.0 143.9 47.6 69.5 1.2 28 28 A N E -a 4 0A 43 -25,-2.3 -23,-2.6 -2,-0.2 2,-0.5 -0.769 38.2-138.7 -81.9 121.6 49.8 68.9 -1.9 29 29 A I E -ac 5 54A 0 24,-2.3 26,-2.4 -2,-0.6 2,-1.0 -0.736 18.5-151.5-100.9 126.8 47.4 67.5 -4.5 30 30 A G E -ac 6 55A 0 -25,-2.8 -23,-2.5 -2,-0.5 2,-1.3 -0.806 24.3-155.1 -81.1 101.6 47.8 64.7 -7.0 31 31 A V E -ac 7 56A 0 24,-3.1 26,-1.7 -2,-1.0 2,-0.2 -0.698 16.9-166.6 -87.6 93.6 45.4 66.0 -9.6 32 32 A H E + c 0 57A 3 -25,-1.8 -22,-2.3 -2,-1.3 -21,-0.5 -0.549 13.5 171.2 -85.9 146.7 44.4 62.9 -11.4 33 33 A Y E - c 0 58A 46 24,-1.6 26,-1.3 -2,-0.2 4,-0.1 -0.964 26.4-152.8-142.6 163.9 42.6 62.6 -14.7 34 34 A H S S- 0 0 92 -2,-0.3 -1,-0.2 24,-0.2 3,-0.1 0.855 88.2 -24.8 -97.2 -67.5 41.6 59.9 -17.2 35 35 A R S S+ 0 0 209 1,-0.1 2,-1.7 23,-0.0 3,-0.2 0.567 114.5 90.0-119.7 -19.0 41.5 61.6 -20.6 36 36 A D > + 0 0 57 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.497 40.8 158.1 -90.4 74.1 40.7 65.3 -19.8 37 37 A A H > S+ 0 0 43 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.881 73.5 53.7 -60.7 -42.9 44.3 66.6 -19.5 38 38 A A H > S+ 0 0 67 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 108.4 49.8 -60.5 -44.3 43.2 70.2 -20.2 39 39 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.6 49.7 -61.2 -41.9 40.6 70.1 -17.4 40 40 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.912 109.5 51.6 -65.2 -41.4 43.2 68.7 -14.9 41 41 A Q H X S+ 0 0 77 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.881 107.8 52.3 -62.9 -37.9 45.6 71.5 -15.9 42 42 A E H X S+ 0 0 116 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.912 109.4 50.0 -64.6 -40.2 42.9 74.1 -15.3 43 43 A T H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.954 114.1 45.3 -59.2 -47.8 42.3 72.5 -11.8 44 44 A L H X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.905 109.0 54.9 -65.4 -42.2 46.1 72.7 -11.1 45 45 A N H X S+ 0 0 75 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.895 109.7 47.5 -55.9 -43.0 46.4 76.2 -12.4 46 46 A A H X S+ 0 0 24 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.902 110.9 51.5 -68.7 -40.0 43.7 77.4 -10.0 47 47 A I H <>S+ 0 0 3 -4,-2.1 5,-2.5 2,-0.2 3,-0.4 0.953 114.5 43.3 -54.7 -51.6 45.4 75.5 -7.1 48 48 A V H ><5S+ 0 0 83 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.919 109.4 55.9 -64.5 -45.4 48.7 77.2 -7.9 49 49 A A H 3<5S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 106.2 53.1 -60.1 -26.0 47.2 80.7 -8.5 50 50 A N T 3<5S- 0 0 123 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.294 128.0 -97.0 -92.7 11.0 45.7 80.4 -5.0 51 51 A G T < 5S+ 0 0 69 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.604 85.5 119.9 87.2 14.3 49.1 79.7 -3.4 52 52 A G < - 0 0 13 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.364 51.8-126.3-100.0-175.1 48.8 75.9 -3.3 53 53 A N + 0 0 110 -26,-0.5 -24,-2.3 -30,-0.2 2,-0.3 -0.960 35.7 125.1-135.3 152.0 50.7 72.9 -4.7 54 54 A G E -c 29 0A 23 -2,-0.3 2,-0.3 -26,-0.3 -24,-0.2 -0.976 31.8-133.5 178.9-178.4 50.1 69.9 -6.8 55 55 A R E -c 30 0A 36 -26,-2.4 -24,-3.1 -2,-0.3 2,-0.2 -0.985 23.9-107.7-154.8 154.9 50.9 67.9 -9.9 56 56 A L E +c 31 0A 50 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.588 35.9 164.5 -85.0 146.1 49.2 66.1 -12.7 57 57 A L E -c 32 0A 9 -26,-1.7 -24,-1.6 -2,-0.2 2,-0.3 -0.964 15.5-152.8-152.8 163.7 48.9 62.3 -13.1 58 58 A S E +c 33 0A 33 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.991 22.5 137.6-144.4 140.3 46.8 60.0 -15.2 59 59 A F - 0 0 1 -26,-1.3 2,-0.6 -2,-0.3 -2,-0.1 -0.923 48.0-108.7-171.0 158.0 45.4 56.5 -15.3 60 60 A D > - 0 0 49 -2,-0.3 3,-2.3 1,-0.1 7,-0.3 -0.846 25.4-150.1 -88.2 116.9 42.3 54.5 -16.1 61 61 A V T 3 S+ 0 0 7 -2,-0.6 56,-0.2 1,-0.3 -1,-0.1 0.675 97.4 58.4 -68.8 -15.1 40.9 53.3 -12.8 62 62 A A T 3 S+ 0 0 39 1,-0.1 2,-0.9 55,-0.1 -1,-0.3 0.513 89.8 82.6 -82.6 -8.9 39.5 50.2 -14.5 63 63 A N <> - 0 0 70 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.829 61.0-173.4-103.6 97.6 43.0 49.3 -15.6 64 64 A R H > S+ 0 0 46 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.908 81.0 47.6 -58.4 -47.2 44.6 47.5 -12.7 65 65 A E H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 112.1 49.2 -64.0 -44.3 48.1 47.2 -14.1 66 66 A Q H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.917 110.2 51.9 -64.2 -42.2 48.2 50.8 -15.2 67 67 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.937 112.7 45.1 -56.5 -48.8 47.0 52.0 -11.7 68 68 A R H X S+ 0 0 91 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.946 114.6 48.5 -61.9 -47.7 49.7 49.9 -10.0 69 69 A E H X S+ 0 0 135 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.934 116.1 41.2 -59.4 -51.5 52.5 51.1 -12.4 70 70 A V H X S+ 0 0 32 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.930 117.6 47.3 -63.6 -46.0 51.7 54.8 -12.2 71 71 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.903 110.9 50.2 -68.6 -39.2 51.0 54.8 -8.4 72 72 A E H X S+ 0 0 97 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.912 113.3 48.0 -63.8 -40.4 54.2 52.8 -7.6 73 73 A H H X S+ 0 0 105 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.918 112.2 48.1 -62.3 -46.8 56.2 55.3 -9.7 74 74 A E H X S+ 0 0 19 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.909 113.9 46.7 -60.1 -42.9 54.5 58.3 -8.1 75 75 A I H X S+ 0 0 26 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.888 112.3 50.5 -69.6 -38.9 55.2 56.9 -4.6 76 76 A A H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 118.0 39.5 -62.7 -41.8 58.8 56.0 -5.4 77 77 A Q H < S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.868 134.4 16.0 -78.1 -38.9 59.4 59.5 -6.8 78 78 A H H < S- 0 0 94 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.420 105.1-109.4-117.9 -5.3 57.5 61.6 -4.2 79 79 A G < - 0 0 34 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.154 55.7 -35.0 90.1 170.2 56.8 59.4 -1.2 80 80 A A - 0 0 28 45,-0.2 -76,-0.4 1,-0.1 2,-0.2 -0.218 61.3-110.7 -63.1 147.7 53.6 57.9 0.1 81 81 A W - 0 0 3 41,-0.1 -76,-0.2 1,-0.1 48,-0.1 -0.591 15.8-158.0 -69.1 142.7 50.2 59.7 -0.2 82 82 A Y S S+ 0 0 16 -78,-2.7 52,-2.0 1,-0.2 2,-0.3 0.782 80.3 25.8 -83.9 -39.5 48.8 60.8 3.2 83 83 A G E -bd 5 134A 0 -79,-2.3 -77,-2.4 50,-0.2 2,-0.4 -0.945 60.9-164.8-129.1 150.1 45.3 60.9 1.7 84 84 A V E -bd 6 135A 0 50,-2.3 52,-2.7 -2,-0.3 2,-0.7 -0.987 2.3-169.2-132.3 120.4 43.5 59.1 -1.1 85 85 A V E -bd 7 136A 0 -79,-3.4 -77,-2.4 -2,-0.4 2,-1.4 -0.939 8.2-160.6-109.4 106.5 40.1 60.4 -2.4 86 86 A S E + d 0 137A 10 50,-2.6 52,-1.7 -2,-0.7 -79,-0.1 -0.706 38.0 139.9 -92.5 87.9 38.7 57.8 -4.7 87 87 A N + 0 0 21 -2,-1.4 -1,-0.2 -79,-0.2 -78,-0.1 0.734 23.0 112.3-104.2 -33.1 36.2 60.0 -6.5 88 88 A A + 0 0 18 -3,-0.3 2,-0.3 26,-0.1 50,-0.1 -0.147 42.0 146.1 -53.1 133.9 36.3 58.9 -10.2 89 89 A G - 0 0 30 -80,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.982 28.9-157.7-163.2 161.4 33.0 57.3 -11.3 90 90 A I - 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