==== 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 4IIV . 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, . 964 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 756 78.4 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 . 71 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 38.6 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 2 2 0 4 8 4 0 4 2 2 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 2 A S 0 0 149 0, 0.0 2,-0.4 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 175.9 88.5 -20.5 -6.4 2 3 A R - 0 0 69 23,-0.4 25,-2.7 79,-0.0 2,-0.3 -0.980 360.0-145.8-133.3 130.0 84.7 -20.4 -6.9 3 4 A S E -a 27 0A 14 -2,-0.4 78,-3.2 76,-0.4 79,-2.4 -0.760 8.1-165.3-105.4 147.9 82.9 -20.4 -10.2 4 5 A V E -ab 28 82A 0 23,-2.4 25,-2.7 -2,-0.3 2,-0.4 -0.989 13.3-143.3-132.5 121.1 79.7 -18.6 -11.1 5 6 A L E -ab 29 83A 0 77,-2.5 79,-3.1 -2,-0.4 2,-0.5 -0.709 16.9-169.9 -79.3 129.5 77.6 -19.3 -14.2 6 7 A V E > -ab 30 84A 0 23,-2.6 25,-1.7 -2,-0.4 3,-0.7 -0.924 8.6-152.5-122.0 107.2 76.1 -16.1 -15.6 7 8 A T T 3 S+ 0 0 0 77,-2.1 79,-0.2 -2,-0.5 25,-0.1 -0.454 79.9 23.5 -75.1 151.4 73.5 -16.7 -18.3 8 9 A G T > S+ 0 0 16 78,-0.1 3,-0.8 -2,-0.1 7,-0.4 0.864 76.6 146.4 61.6 39.3 72.9 -13.9 -20.8 9 10 A A T < + 0 0 0 22,-1.9 23,-0.2 -3,-0.7 -2,-0.1 0.432 46.9 85.5 -84.3 -0.7 76.4 -12.6 -20.2 10 11 A S T 3 S- 0 0 11 21,-0.4 2,-0.3 32,-0.1 -1,-0.2 0.609 104.1 -5.8 -75.7 -13.6 76.9 -11.5 -23.8 11 12 A K S <> S+ 0 0 111 -3,-0.8 4,-2.4 28,-0.0 3,-0.5 -0.961 103.7 6.7-164.3 175.2 75.3 -8.2 -23.1 12 13 A G H > S- 0 0 28 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.088 118.2 -3.8 47.8-133.1 73.4 -5.9 -20.7 13 14 A I H > S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.911 135.3 53.8 -62.2 -43.8 72.8 -6.8 -17.1 14 15 A G H > S+ 0 0 1 -3,-0.5 4,-2.8 -6,-0.4 -5,-0.3 0.916 109.6 47.8 -56.1 -46.5 74.4 -10.2 -17.6 15 16 A R H X S+ 0 0 64 -4,-2.4 4,-2.6 -7,-0.4 -2,-0.2 0.982 113.7 47.5 -58.9 -53.8 77.6 -8.6 -19.0 16 17 A A H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.882 112.8 48.6 -53.2 -43.6 77.7 -6.1 -16.1 17 18 A I H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.938 110.3 51.7 -64.8 -45.4 77.1 -8.9 -13.6 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.938 111.5 47.1 -53.5 -50.1 79.9 -11.0 -15.1 19 20 A R H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.945 114.3 46.4 -57.8 -51.4 82.4 -8.1 -15.0 20 21 A Q H X S+ 0 0 65 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.914 114.0 46.2 -62.3 -44.5 81.6 -7.2 -11.4 21 22 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 4,-0.3 0.870 110.6 53.8 -71.8 -33.5 81.7 -10.8 -10.1 22 23 A A H ><5S+ 0 0 6 -4,-2.4 3,-2.2 -5,-0.3 -2,-0.2 0.969 108.7 49.4 -56.9 -53.0 84.9 -11.4 -12.0 23 24 A A H 3<5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.809 104.2 59.6 -54.4 -33.3 86.4 -8.3 -10.3 24 25 A D T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.574 129.3-100.0 -72.8 -11.0 85.2 -9.7 -6.9 25 26 A G T < 5S+ 0 0 58 -3,-2.2 -23,-0.4 -4,-0.3 2,-0.3 0.543 76.2 138.7 107.0 10.2 87.4 -12.7 -7.7 26 27 A F < - 0 0 14 -5,-2.7 2,-0.6 -8,-0.1 26,-0.4 -0.637 56.0-122.3 -87.3 145.4 84.9 -15.3 -9.0 27 28 A N E -a 3 0A 35 -25,-2.7 -23,-2.4 -2,-0.3 2,-0.5 -0.774 38.7-139.7 -85.1 120.3 85.7 -17.5 -12.0 28 29 A I E -ac 4 53A 0 24,-2.2 26,-2.0 -2,-0.6 2,-1.3 -0.704 18.9-151.4-100.3 123.4 82.9 -16.7 -14.5 29 30 A G E -ac 5 54A 0 -25,-2.7 -23,-2.6 -2,-0.5 2,-1.3 -0.746 24.0-156.4 -77.6 95.5 81.0 -19.0 -16.8 30 31 A V E -ac 6 55A 0 24,-1.9 26,-1.3 -2,-1.3 2,-0.2 -0.618 17.0-168.8 -81.3 95.0 80.3 -16.4 -19.4 31 32 A H E + c 0 56A 3 -25,-1.7 -22,-1.9 -2,-1.3 -21,-0.4 -0.573 12.1 172.5 -88.9 147.4 77.2 -17.9 -21.1 32 33 A Y E - c 0 57A 49 24,-1.5 26,-1.4 -2,-0.2 4,-0.1 -0.963 26.1-152.3-142.6 164.6 75.6 -16.7 -24.4 33 34 A H S S- 0 0 83 -2,-0.3 -1,-0.2 24,-0.2 3,-0.1 0.856 86.3 -25.7 -98.3 -70.4 72.8 -17.9 -26.6 34 35 A R S S+ 0 0 206 1,-0.1 2,-2.1 23,-0.1 3,-0.2 0.649 115.5 86.7-117.3 -30.0 73.7 -16.7 -30.1 35 36 A D > + 0 0 59 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.456 43.0 159.8 -79.8 75.4 75.9 -13.6 -29.6 36 37 A A H > S+ 0 0 39 -2,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.782 71.8 58.1 -64.1 -29.3 79.3 -15.3 -29.3 37 38 A A H > S+ 0 0 73 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.978 106.3 47.2 -67.3 -53.1 81.1 -12.0 -30.1 38 39 A G H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 111.5 52.9 -49.0 -44.7 79.5 -10.2 -27.2 39 40 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.901 110.5 45.8 -60.7 -43.3 80.4 -13.1 -25.0 40 41 A Q H X S+ 0 0 83 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.907 110.8 53.5 -69.8 -39.2 84.1 -13.0 -26.0 41 42 A E H X S+ 0 0 118 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.921 109.3 49.1 -57.6 -45.4 84.1 -9.3 -25.6 42 43 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.940 113.6 46.3 -58.6 -47.4 82.8 -9.8 -22.0 43 44 A L H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.865 108.6 55.6 -66.0 -36.2 85.5 -12.4 -21.3 44 45 A N H X S+ 0 0 89 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.953 108.1 48.0 -60.6 -48.9 88.2 -10.2 -22.8 45 46 A A H X S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.896 110.9 52.9 -59.3 -38.4 87.3 -7.4 -20.4 46 47 A I H <>S+ 0 0 2 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.930 113.4 41.7 -59.5 -47.4 87.4 -9.9 -17.6 47 48 A V H ><5S+ 0 0 86 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.937 109.9 57.6 -69.5 -46.3 90.8 -11.1 -18.4 48 49 A A H 3<5S+ 0 0 82 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.5 50.6 -48.6 -39.9 92.2 -7.7 -19.2 49 50 A N T 3<5S- 0 0 119 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.320 128.3 -96.3 -87.1 8.0 91.2 -6.6 -15.6 50 51 A G T < 5S+ 0 0 72 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.653 84.9 114.2 91.4 19.6 93.0 -9.6 -14.1 51 52 A G < - 0 0 16 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.537 54.5-118.4-112.8-178.5 90.1 -12.1 -13.6 52 53 A N + 0 0 111 -26,-0.4 -24,-2.2 -30,-0.2 2,-0.3 -0.892 36.6 130.9-124.8 150.3 89.1 -15.5 -15.1 53 54 A G E -c 28 0A 22 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.968 28.4-141.6-171.1-173.4 86.3 -17.1 -17.0 54 55 A R E -c 29 0A 35 -26,-2.0 -24,-1.9 -2,-0.3 2,-0.2 -0.978 24.5-108.0-159.9 151.0 85.3 -19.2 -20.0 55 56 A L E +c 30 0A 46 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.531 35.1 164.6 -83.2 149.7 82.6 -19.3 -22.7 56 57 A L E -c 31 0A 11 -26,-1.3 -24,-1.5 -2,-0.2 2,-0.3 -0.943 15.6-153.6-154.1 166.3 79.7 -21.7 -22.9 57 58 A S E +c 32 0A 33 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.998 22.2 136.9-150.5 139.7 76.5 -21.7 -24.8 58 59 A F - 0 0 1 -26,-1.4 2,-0.7 -2,-0.3 -2,-0.1 -0.912 49.2-106.0-173.0 160.8 73.0 -23.0 -24.8 59 60 A D > - 0 0 47 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.857 26.8-151.2 -91.6 116.3 69.3 -22.1 -25.4 60 61 A V T 3 S+ 0 0 9 -2,-0.7 56,-0.2 1,-0.3 -1,-0.1 0.694 97.3 58.9 -68.6 -16.2 67.8 -21.8 -21.9 61 62 A A T 3 S+ 0 0 36 1,-0.1 2,-0.9 55,-0.1 -1,-0.3 0.579 89.6 83.5 -81.1 -10.4 64.4 -22.9 -23.4 62 63 A N <> - 0 0 57 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.776 61.4-172.1 -99.5 96.8 66.1 -26.2 -24.6 63 64 A R H > S+ 0 0 31 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.865 81.5 45.3 -56.9 -44.7 66.0 -28.5 -21.7 64 65 A E H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 111.9 50.3 -71.4 -44.8 68.2 -31.2 -23.1 65 66 A Q H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.913 111.0 51.0 -60.5 -40.7 70.9 -28.9 -24.5 66 67 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 -7,-0.3 5,-0.2 0.914 112.7 45.3 -58.2 -48.9 71.1 -27.2 -21.0 67 68 A R H X S+ 0 0 80 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.920 114.1 49.3 -64.7 -44.3 71.4 -30.6 -19.3 68 69 A E H X S+ 0 0 118 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.962 116.0 40.9 -56.9 -56.4 74.0 -31.9 -21.8 69 70 A V H X S+ 0 0 17 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.914 117.2 47.5 -64.9 -43.8 76.2 -28.7 -21.7 70 71 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.906 110.6 50.4 -69.2 -40.9 76.0 -28.2 -17.9 71 72 A E H X S+ 0 0 102 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.917 113.4 48.0 -60.2 -41.0 76.7 -31.9 -17.0 72 73 A H H X S+ 0 0 102 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.956 111.7 48.2 -63.5 -51.1 79.7 -31.7 -19.3 73 74 A E H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.887 113.4 47.8 -57.1 -41.4 81.0 -28.4 -17.8 74 75 A I H X S+ 0 0 25 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.879 110.2 51.9 -69.6 -39.1 80.6 -29.7 -14.3 75 76 A A H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.916 118.2 38.4 -62.6 -42.5 82.3 -33.0 -15.1 76 77 A Q H < S+ 0 0 123 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.866 133.7 18.8 -76.7 -40.3 85.3 -31.1 -16.5 77 78 A H H < S- 0 0 91 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.537 104.2-111.9-114.5 -5.7 85.5 -28.2 -14.1 78 79 A G < - 0 0 34 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.202 55.7 -33.7 91.8 167.9 83.7 -29.1 -11.0 79 80 A A - 0 0 27 45,-0.2 -76,-0.4 1,-0.1 2,-0.2 -0.154 62.5-111.4 -56.6 143.5 80.4 -27.8 -9.5 80 81 A W - 0 0 3 41,-0.1 -76,-0.2 1,-0.1 48,-0.1 -0.554 16.0-156.5 -67.8 142.5 79.4 -24.1 -9.9 81 82 A Y S S+ 0 0 15 -78,-3.2 52,-1.9 1,-0.2 2,-0.3 0.810 79.7 26.1 -82.0 -42.7 79.5 -22.2 -6.6 82 83 A G E -bd 4 133A 0 -79,-2.4 -77,-2.5 50,-0.2 2,-0.4 -0.915 60.5-164.3-124.3 149.9 77.1 -19.6 -8.0 83 84 A V E -bd 5 134A 0 50,-2.2 52,-2.7 -2,-0.3 2,-0.7 -0.972 1.4-170.5-131.1 121.9 74.3 -19.5 -10.6 84 85 A V E -bd 6 135A 0 -79,-3.1 -77,-2.1 -2,-0.4 2,-1.6 -0.906 8.1-162.3-110.8 101.4 73.0 -16.2 -11.9 85 86 A S E + d 0 136A 11 50,-2.3 52,-1.6 -2,-0.7 -79,-0.1 -0.655 36.8 141.7 -87.3 84.6 69.9 -17.0 -14.0 86 87 A N + 0 0 21 -2,-1.6 -1,-0.2 -79,-0.2 -78,-0.1 0.670 23.8 111.1-100.4 -25.9 69.8 -13.8 -15.8 87 88 A A + 0 0 21 -3,-0.2 2,-0.3 26,-0.1 50,-0.1 -0.241 40.3 134.2 -63.6 143.0 68.8 -14.6 -19.4 88 89 A G - 0 0 31 -80,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.968 31.5-151.0-176.8 169.0 65.3 -13.5 -20.6 89 90 A I - 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