==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-13 4BO7 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,Y.LINDQVIST,G.SCHNEIDER . 950 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 728 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.3 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 . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 0 0 0 4 0 0 0 8 4 4 0 0 0 0 0 0 0 0 1 1 1 4 1 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 Q 0 0 179 0, 0.0 219,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.1 -9.7 11.5 -67.8 2 0 A S + 0 0 20 1,-0.1 218,-1.4 217,-0.1 220,-0.1 0.899 360.0 57.6 -68.0 -46.6 -9.4 11.3 -64.0 3 1 A M S S+ 0 0 64 216,-0.2 2,-0.2 217,-0.1 -1,-0.1 0.673 82.2 106.1 -61.5 -20.2 -11.3 8.0 -64.2 4 2 A S + 0 0 47 1,-0.1 216,-0.3 27,-0.1 27,-0.2 -0.437 40.7 178.9 -61.5 128.9 -8.7 6.4 -66.6 5 3 A L > + 0 0 2 25,-3.0 3,-2.0 -2,-0.2 28,-0.3 0.068 31.7 149.1-108.6 16.7 -6.5 3.8 -65.0 6 4 A Q T 3 + 0 0 149 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.233 66.3 20.2 -51.0 130.9 -4.8 3.2 -68.3 7 5 A G T 3 S+ 0 0 76 24,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.535 100.6 114.3 82.2 7.0 -1.2 2.2 -67.8 8 6 A K < - 0 0 39 -3,-2.0 25,-2.7 23,-0.2 2,-0.5 -0.845 58.0-138.6-110.3 147.3 -1.7 1.0 -64.2 9 7 A V E -a 33 0A 15 75,-0.5 78,-1.7 -2,-0.3 77,-1.4 -0.920 20.9-163.8-104.1 129.2 -1.4 -2.5 -62.8 10 8 A A E -ab 34 87A 0 23,-2.9 25,-3.2 -2,-0.5 2,-0.5 -0.922 10.8-157.7-118.9 134.8 -4.0 -3.5 -60.2 11 9 A L E -ab 35 88A 1 76,-2.9 78,-3.0 -2,-0.4 2,-0.5 -0.954 13.3-179.9-111.3 120.4 -3.9 -6.5 -57.8 12 10 A V E -ab 36 89A 0 23,-2.7 25,-1.8 -2,-0.5 3,-0.3 -0.982 14.8-150.4-124.2 113.7 -7.3 -7.6 -56.5 13 11 A T S S+ 0 0 2 76,-2.2 25,-0.1 -2,-0.5 78,-0.1 -0.546 76.4 22.2 -84.0 153.5 -7.4 -10.5 -54.1 14 12 A G S S+ 0 0 23 23,-0.3 6,-0.3 -2,-0.2 3,-0.3 0.970 77.0 151.1 60.2 56.5 -10.3 -12.9 -53.9 15 13 A A + 0 0 4 22,-2.8 23,-0.1 -3,-0.3 -1,-0.1 0.198 34.3 97.3-108.9 13.4 -11.4 -12.1 -57.4 16 14 A S S S- 0 0 31 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.743 94.3 -7.3 -81.3 -21.9 -13.0 -15.4 -58.5 17 15 A R S >> S+ 0 0 129 -3,-0.3 4,-1.7 164,-0.0 3,-0.6 -0.931 104.4 10.1-156.2 177.4 -16.6 -14.4 -57.7 18 16 A G H 3> S- 0 0 26 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.049 119.6 -4.5 53.7-136.2 -18.9 -11.7 -56.2 19 17 A I H 3> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 134.7 54.0 -60.7 -44.8 -17.5 -8.4 -55.1 20 18 A G H <> S+ 0 0 1 -3,-0.6 4,-2.4 -6,-0.3 -1,-0.2 0.931 109.7 47.1 -55.2 -49.7 -13.9 -9.3 -56.0 21 19 A Q H X S+ 0 0 51 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.915 112.8 49.9 -59.8 -42.1 -14.8 -10.3 -59.5 22 20 A A H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.901 109.2 50.8 -67.7 -42.0 -16.8 -7.2 -60.0 23 21 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.908 109.8 50.8 -56.7 -48.2 -14.0 -5.0 -58.7 24 22 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.909 111.6 48.2 -60.3 -40.7 -11.5 -6.7 -61.1 25 23 A L H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.867 111.1 50.0 -66.4 -34.7 -13.9 -6.1 -64.1 26 24 A E H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 111.8 46.6 -72.9 -42.9 -14.4 -2.5 -63.1 27 25 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 -1,-0.2 0.905 114.7 49.0 -64.3 -42.0 -10.7 -1.7 -62.8 28 26 A G H ><5S+ 0 0 12 -4,-2.2 3,-2.0 -5,-0.3 -2,-0.2 0.932 109.1 51.7 -57.9 -47.8 -10.2 -3.6 -66.1 29 27 A R H 3<5S+ 0 0 136 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.843 105.2 56.8 -59.6 -34.6 -13.1 -1.6 -67.7 30 28 A L T 3<5S- 0 0 29 -4,-1.9 -25,-3.0 -5,-0.1 -24,-0.4 0.365 129.7 -96.6 -79.4 2.9 -11.3 1.6 -66.5 31 29 A G T < 5S+ 0 0 27 -3,-2.0 -24,-0.7 1,-0.3 -23,-0.2 0.390 76.8 139.3 102.0 0.0 -8.2 0.6 -68.4 32 30 A A < - 0 0 5 -5,-2.4 2,-0.5 -26,-0.2 -1,-0.3 -0.409 57.4-121.6 -71.7 150.6 -6.1 -1.1 -65.7 33 31 A V E -a 9 0A 27 -25,-2.7 -23,-2.9 -28,-0.3 2,-0.5 -0.847 43.3-147.9 -82.5 128.3 -4.1 -4.3 -66.4 34 32 A V E -ac 10 58A 0 23,-2.5 25,-2.1 -2,-0.5 2,-0.6 -0.884 25.9-171.0-119.7 127.4 -5.7 -6.6 -63.7 35 33 A I E -ac 11 59A 2 -25,-3.2 -23,-2.7 -2,-0.5 2,-0.3 -0.940 15.5-171.3-112.9 109.9 -4.3 -9.4 -61.6 36 34 A G E -ac 12 60A 0 23,-2.1 25,-2.1 -2,-0.6 2,-0.3 -0.756 8.1-150.9 -97.3 147.0 -7.0 -11.2 -59.7 37 35 A T E + c 0 61A 3 -25,-1.8 -22,-2.8 -2,-0.3 -21,-0.4 -0.877 17.5 173.5-123.0 155.3 -6.2 -13.8 -57.1 38 36 A A E - c 0 62A 9 23,-1.9 25,-2.5 -2,-0.3 6,-0.0 -0.891 38.2-120.3-145.0 168.9 -7.8 -16.9 -55.7 39 37 A T S S+ 0 0 121 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.701 93.0 55.3 -89.7 -19.2 -6.6 -19.6 -53.2 40 38 A S S > S- 0 0 56 21,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.822 80.6-124.5-115.1 151.8 -7.0 -22.5 -55.7 41 39 A A H > S+ 0 0 75 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.875 115.1 55.8 -55.5 -38.9 -5.6 -23.2 -59.2 42 40 A S H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 107.8 46.2 -60.6 -46.7 -9.2 -23.7 -60.3 43 41 A G H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 111.4 52.5 -63.9 -38.5 -10.2 -20.2 -59.0 44 42 A A H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.806 109.9 48.5 -70.0 -28.9 -7.2 -18.6 -60.6 45 43 A E H X S+ 0 0 126 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.857 108.9 53.4 -78.2 -37.9 -8.0 -20.2 -64.0 46 44 A K H X S+ 0 0 76 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.918 107.7 51.8 -59.4 -43.4 -11.6 -19.0 -63.7 47 45 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.945 108.4 50.4 -60.2 -48.8 -10.3 -15.5 -63.1 48 46 A A H X S+ 0 0 43 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.900 112.1 48.3 -56.3 -41.6 -8.1 -15.6 -66.2 49 47 A E H X S+ 0 0 111 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.934 111.2 49.0 -65.0 -47.0 -11.1 -16.8 -68.2 50 48 A T H X S+ 0 0 21 -4,-2.8 4,-0.8 1,-0.2 6,-0.2 0.903 111.7 49.0 -60.3 -43.6 -13.5 -14.1 -66.9 51 49 A L H ><>S+ 0 0 6 -4,-2.7 5,-2.3 -5,-0.2 3,-0.8 0.918 112.2 49.1 -62.2 -42.9 -10.9 -11.4 -67.6 52 50 A K H ><5S+ 0 0 168 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.948 107.1 54.9 -61.4 -47.6 -10.4 -12.8 -71.2 53 51 A A H 3<5S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 111.5 46.0 -59.9 -17.6 -14.1 -12.9 -71.8 54 52 A N T <<5S- 0 0 92 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.254 114.9-109.3-112.1 12.7 -14.4 -9.1 -70.9 55 53 A G T < 5 + 0 0 72 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.571 69.3 146.4 76.4 9.3 -11.4 -7.8 -72.9 56 54 A V < - 0 0 16 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.700 42.7-140.7 -89.3 122.4 -9.4 -7.2 -69.8 57 55 A E + 0 0 148 -2,-0.5 -23,-2.5 -25,-0.2 2,-0.3 -0.586 60.4 68.0 -75.2 139.8 -5.6 -7.7 -70.0 58 56 A G E -c 34 0A 37 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.979 68.4 -94.6 157.4-135.3 -4.0 -9.3 -67.0 59 57 A A E -c 35 0A 36 -25,-2.1 -23,-2.1 -2,-0.3 2,-0.4 -0.984 13.7-118.6-168.8 166.8 -4.0 -12.7 -65.3 60 58 A G E +c 36 0A 22 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.990 37.3 178.1-119.8 134.5 -5.3 -14.9 -62.6 61 59 A L E -c 37 0A 43 -25,-2.1 -23,-1.9 -2,-0.4 2,-0.5 -0.850 32.3-110.8-132.9 163.4 -3.0 -16.2 -59.9 62 60 A V E +c 38 0A 63 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.872 41.0 169.9 -94.9 127.2 -2.9 -18.3 -56.7 63 61 A L - 0 0 4 -25,-2.5 2,-0.6 -2,-0.5 -49,-0.1 -0.994 25.2-166.1-140.5 131.2 -2.2 -16.3 -53.5 64 62 A D > - 0 0 79 -2,-0.4 3,-2.0 3,-0.2 7,-0.3 -0.947 9.1-165.1-111.0 103.4 -2.4 -17.2 -49.8 65 63 A V T 3 S+ 0 0 21 -2,-0.6 47,-0.2 1,-0.3 46,-0.1 0.599 84.6 67.4 -69.2 -10.9 -2.4 -13.9 -48.0 66 64 A S T 3 S+ 0 0 67 1,-0.1 2,-0.5 45,-0.1 -1,-0.3 0.532 91.5 74.5 -79.2 -6.3 -1.6 -15.8 -44.8 67 65 A S <> - 0 0 30 -3,-2.0 4,-2.3 1,-0.1 -3,-0.2 -0.937 62.0-158.1-122.8 116.1 1.9 -16.8 -46.1 68 66 A D H > S+ 0 0 112 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.889 98.6 52.2 -56.8 -40.5 4.9 -14.5 -46.4 69 67 A E H > S+ 0 0 162 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.963 109.2 47.0 -61.2 -55.3 6.4 -16.8 -49.0 70 68 A S H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 113.1 51.0 -54.2 -42.8 3.3 -16.9 -51.2 71 69 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 -7,-0.3 5,-0.2 0.972 112.4 44.0 -58.2 -57.4 3.0 -13.1 -51.0 72 70 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.899 116.5 47.7 -58.3 -41.1 6.7 -12.5 -52.0 73 71 A A H X S+ 0 0 37 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.921 111.2 49.8 -67.0 -47.4 6.6 -15.1 -54.8 74 72 A T H X S+ 0 0 7 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.900 111.5 48.8 -57.1 -45.1 3.3 -13.7 -56.2 75 73 A L H X S+ 0 0 24 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.930 110.1 51.8 -63.5 -43.5 4.6 -10.2 -56.2 76 74 A E H X S+ 0 0 114 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.937 108.5 51.4 -55.8 -48.3 7.8 -11.4 -58.0 77 75 A H H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.900 111.3 47.9 -56.7 -40.0 5.7 -13.1 -60.6 78 76 A I H X>S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 5,-1.5 0.936 111.3 50.0 -68.4 -47.8 3.8 -9.9 -61.2 79 77 A Q H <5S+ 0 0 104 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.861 111.4 49.3 -53.5 -45.3 7.0 -7.8 -61.4 80 78 A Q H <5S+ 0 0 124 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.956 124.0 27.0 -59.9 -52.7 8.6 -10.2 -64.0 81 79 A H H <5S+ 0 0 142 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.848 139.3 5.7 -85.9 -41.7 5.6 -10.4 -66.3 82 80 A L T <5S- 0 0 73 -4,-2.9 -3,-0.2 -5,-0.3 2,-0.1 0.609 95.4-108.1-125.7 -18.7 3.7 -7.1 -65.9 83 81 A G < - 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