==== 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 24-JAN-12 4AG3 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,G.SCHNEIDER,Y.LINDQVIST . 991 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 748 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 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 . 53 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 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 3 4 1 0 3 0 0 6 6 4 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 14 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 -6 A E 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.1 -25.5 -0.8 -18.6 2 -5 A N + 0 0 154 2,-0.0 2,-0.6 1,-0.0 0, 0.0 0.510 360.0 88.9 -86.4 -5.6 -28.1 1.9 -19.2 3 -4 A L - 0 0 133 2,-0.0 2,-0.6 0, 0.0 -1,-0.0 -0.846 54.9-169.2-104.9 119.8 -25.9 4.8 -18.1 4 -3 A Y - 0 0 202 -2,-0.6 2,-0.1 3,-0.0 3,-0.1 -0.891 7.8-160.9-111.2 107.7 -23.7 6.6 -20.7 5 -2 A F - 0 0 179 -2,-0.6 2,-0.1 1,-0.1 3,-0.1 -0.383 32.4 -88.4 -81.1 162.2 -21.1 9.1 -19.4 6 -1 A Q - 0 0 176 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.387 46.6-104.0 -69.6 142.7 -19.5 11.8 -21.4 7 0 A S - 0 0 94 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.466 40.7-140.5 -68.0 142.8 -16.3 10.9 -23.3 8 1 A M > - 0 0 76 -2,-0.1 3,-2.0 27,-0.1 27,-0.1 -0.396 29.4 -84.5-104.7 179.2 -13.2 12.2 -21.6 9 2 A S T 3 S+ 0 0 71 1,-0.3 226,-0.4 -2,-0.1 27,-0.1 0.713 127.0 33.7 -62.3 -21.8 -9.9 13.8 -22.9 10 3 A L T > S+ 0 0 2 25,-2.5 3,-2.7 22,-0.1 -1,-0.3 0.100 83.1 168.9-116.4 19.9 -8.1 10.4 -23.4 11 4 A Q T < S- 0 0 99 -3,-2.0 26,-0.2 1,-0.3 25,-0.1 -0.062 70.7 -7.5 -47.4 118.4 -11.2 8.4 -24.5 12 5 A G T 3 S+ 0 0 51 24,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.346 93.0 140.2 82.1 -5.2 -10.1 5.0 -25.9 13 6 A K < - 0 0 70 -3,-2.7 25,-2.6 1,-0.1 2,-0.5 -0.515 53.4-128.0 -70.2 134.2 -6.4 5.7 -26.0 14 7 A V E -a 38 0A 25 75,-0.4 77,-2.7 -2,-0.2 78,-1.6 -0.757 32.6-170.9 -81.1 123.7 -4.2 2.8 -24.9 15 8 A A E -ab 39 92A 0 23,-3.0 25,-3.0 -2,-0.5 2,-0.5 -0.912 15.4-157.2-118.5 143.4 -1.8 4.0 -22.2 16 9 A L E -ab 40 93A 0 76,-2.6 78,-2.8 -2,-0.4 2,-0.5 -0.993 9.8-175.7-119.8 127.2 1.2 2.2 -20.6 17 10 A V E -ab 41 94A 0 23,-2.7 25,-1.9 -2,-0.5 3,-0.5 -0.981 15.9-146.3-124.5 114.0 2.4 3.3 -17.1 18 11 A T S S+ 0 0 2 76,-2.2 78,-0.3 -2,-0.5 25,-0.1 -0.640 82.4 18.4 -83.0 140.6 5.5 1.6 -15.8 19 12 A G S S+ 0 0 21 -2,-0.3 3,-0.4 23,-0.1 6,-0.4 0.965 74.2 152.2 64.6 56.1 5.5 1.1 -12.0 20 13 A A + 0 0 2 22,-2.4 23,-0.2 -3,-0.5 10,-0.1 0.321 44.3 91.6 -99.1 3.7 1.8 1.4 -11.5 21 14 A S S S- 0 0 21 21,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.647 99.9 -12.9 -76.0 -16.2 1.5 -0.8 -8.4 22 15 A R S >> S+ 0 0 143 -3,-0.4 4,-1.4 174,-0.0 3,-0.6 -0.980 104.3 19.5-164.7 174.0 2.0 2.1 -5.9 23 16 A G H 3> S- 0 0 23 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.137 117.0 -11.4 64.2-145.7 3.0 5.7 -5.4 24 17 A I H 3> S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 134.8 55.0 -62.0 -41.6 3.0 8.2 -8.3 25 18 A G H <> S+ 0 0 0 -3,-0.6 4,-2.7 -6,-0.4 -5,-0.2 0.874 107.4 50.6 -64.3 -37.6 2.6 5.5 -11.0 26 19 A Q H X S+ 0 0 50 -4,-1.4 4,-2.4 -7,-0.3 -1,-0.2 0.944 111.4 47.5 -61.3 -48.7 -0.5 4.2 -9.3 27 20 A A H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.901 112.7 50.5 -59.3 -41.7 -2.0 7.7 -9.1 28 21 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.931 108.0 51.8 -62.4 -47.8 -1.1 8.2 -12.8 29 22 A A H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.941 112.7 46.1 -57.2 -45.1 -2.8 5.0 -13.9 30 23 A L H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.867 112.3 50.4 -64.7 -39.1 -6.0 5.9 -12.1 31 24 A E H X S+ 0 0 18 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.918 111.1 47.3 -63.6 -47.2 -5.9 9.5 -13.5 32 25 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 -2,-0.2 0.884 113.3 51.0 -62.2 -38.7 -5.4 8.3 -17.1 33 26 A G H ><5S+ 0 0 10 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.913 106.2 52.9 -62.0 -45.2 -8.2 5.7 -16.5 34 27 A R H 3<5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.8 57.1 -59.0 -31.6 -10.6 8.5 -15.2 35 28 A L T 3<5S- 0 0 13 -4,-1.6 -25,-2.5 -5,-0.1 -1,-0.3 0.309 128.2 -98.1 -85.6 7.3 -9.8 10.3 -18.4 36 29 A G T < 5S+ 0 0 14 -3,-2.0 -24,-2.6 1,-0.3 -3,-0.2 0.465 74.4 141.9 96.8 2.5 -11.0 7.4 -20.5 37 30 A A < - 0 0 4 -5,-2.4 2,-0.6 -26,-0.2 -1,-0.3 -0.418 57.0-121.5 -73.4 152.8 -7.8 5.6 -21.4 38 31 A V E -a 14 0A 30 -25,-2.6 -23,-3.0 -28,-0.2 2,-0.6 -0.873 42.9-146.6 -85.7 118.9 -7.4 1.8 -21.5 39 32 A V E -ac 15 63A 0 23,-2.4 25,-2.0 -2,-0.6 2,-0.7 -0.807 25.3-173.5-109.5 120.7 -4.6 1.5 -18.9 40 33 A I E -ac 16 64A 1 -25,-3.0 -23,-2.7 -2,-0.6 2,-0.3 -0.932 17.0-176.8-104.5 114.8 -1.8 -1.1 -18.9 41 34 A G E -ac 17 65A 0 23,-2.6 25,-2.1 -2,-0.7 2,-0.3 -0.852 8.8-149.9-112.6 149.8 0.1 -0.7 -15.6 42 35 A T E + c 0 66A 2 -25,-1.9 -22,-2.4 -2,-0.3 -21,-0.7 -0.846 14.3 179.9-122.9 152.3 3.3 -2.7 -14.7 43 36 A A E - c 0 67A 3 23,-2.0 25,-2.7 -2,-0.3 6,-0.1 -0.916 37.3-119.4-136.6 167.2 4.9 -4.0 -11.5 44 37 A T S S+ 0 0 119 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.519 94.9 50.2 -87.0 -4.5 8.1 -6.0 -10.9 45 38 A S S > S- 0 0 53 21,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.958 80.9-122.7-133.7 153.1 6.1 -8.9 -9.3 46 39 A A H > S+ 0 0 74 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.887 116.0 56.2 -56.3 -40.0 3.1 -11.1 -10.1 47 40 A S H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 108.4 45.6 -55.3 -50.9 1.6 -9.9 -6.8 48 41 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 111.0 53.7 -63.2 -38.2 2.0 -6.2 -7.9 49 42 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.896 109.3 48.3 -64.5 -39.8 0.5 -7.0 -11.3 50 43 A E H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.913 109.4 53.5 -63.2 -44.5 -2.5 -8.6 -9.6 51 44 A K H X S+ 0 0 89 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.896 107.9 50.6 -57.1 -44.5 -2.9 -5.5 -7.4 52 45 A I H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.954 109.9 49.8 -56.2 -51.4 -2.9 -3.2 -10.5 53 46 A A H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.913 113.9 45.4 -55.7 -45.2 -5.6 -5.3 -12.1 54 47 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.877 112.1 50.6 -67.9 -38.6 -7.8 -5.2 -9.0 55 48 A T H X S+ 0 0 31 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.914 112.3 47.9 -66.0 -41.7 -7.2 -1.5 -8.4 56 49 A L H <>S+ 0 0 5 -4,-2.9 5,-2.8 -5,-0.2 3,-0.5 0.956 113.7 46.8 -62.0 -50.2 -8.2 -0.8 -12.1 57 50 A K H ><5S+ 0 0 124 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.918 108.9 54.2 -59.6 -45.2 -11.3 -3.0 -11.8 58 51 A A H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.1 45.9 -59.1 -29.4 -12.4 -1.4 -8.4 59 52 A N T 3<5S- 0 0 97 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.356 117.1-113.7 -96.6 5.7 -12.2 2.0 -10.2 60 53 A G T < 5 + 0 0 71 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.776 67.6 144.9 69.7 29.4 -14.1 0.8 -13.3 61 54 A V < - 0 0 19 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.873 46.2-134.2-102.0 127.4 -11.1 1.2 -15.5 62 55 A E + 0 0 147 -2,-0.5 -23,-2.4 -25,-0.2 2,-0.3 -0.585 60.1 76.6 -73.5 140.8 -10.5 -1.2 -18.4 63 56 A G E -c 39 0A 40 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.992 64.5 -90.8 157.1-150.8 -6.9 -2.5 -18.7 64 57 A A E -c 40 0A 16 -25,-2.0 -23,-2.6 -2,-0.3 2,-0.4 -0.990 11.9-132.6-158.8 151.8 -4.4 -4.9 -17.3 65 58 A G E +c 41 0A 18 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.959 34.3 176.0-109.0 132.5 -1.6 -5.4 -14.8 66 59 A L E -c 42 0A 28 -25,-2.1 -23,-2.0 -2,-0.4 2,-0.5 -0.942 33.7-108.5-133.7 158.6 1.6 -7.0 -16.1 67 60 A V E +c 43 0A 68 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.743 44.7 164.4 -86.3 126.9 5.0 -7.9 -14.8 68 61 A L - 0 0 3 -25,-2.7 2,-0.6 -2,-0.5 -49,-0.1 -0.983 27.5-164.8-144.2 135.6 7.8 -5.7 -16.3 69 62 A D > - 0 0 70 -2,-0.3 3,-1.8 3,-0.2 7,-0.4 -0.941 8.4-165.9-114.0 105.3 11.4 -5.1 -15.2 70 63 A V T 3 S+ 0 0 7 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.575 84.7 64.8 -72.0 -6.8 12.5 -1.9 -17.1 71 64 A S T 3 S+ 0 0 25 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.491 91.1 80.0 -86.1 -6.3 16.2 -2.6 -16.3 72 65 A S <> - 0 0 40 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.911 64.2-157.1-112.3 119.3 16.1 -5.8 -18.4 73 66 A D H > S+ 0 0 76 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.927 99.4 46.6 -54.7 -47.7 16.3 -5.8 -22.2 74 67 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 110.2 50.9 -65.1 -43.1 14.5 -9.2 -22.4 75 68 A S H > S+ 0 0 27 2,-0.2 4,-2.0 -6,-0.2 5,-0.2 0.914 113.0 46.3 -62.4 -42.3 11.7 -8.3 -20.0 76 69 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 -7,-0.4 5,-0.3 0.948 113.7 49.1 -65.1 -50.5 11.0 -5.1 -21.9 77 70 A A H X S+ 0 0 64 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.925 115.4 42.4 -49.9 -52.0 11.0 -6.9 -25.3 78 71 A A H X S+ 0 0 66 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.852 115.9 47.7 -69.9 -36.6 8.7 -9.8 -24.2 79 72 A T H X S+ 0 0 19 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.920 112.6 47.8 -71.7 -42.5 6.2 -7.6 -22.3 80 73 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.868 111.3 51.8 -72.1 -31.8 5.9 -5.0 -25.1 81 74 A E H X S+ 0 0 61 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.937 110.3 48.9 -63.2 -46.4 5.4 -7.9 -27.6 82 75 A H H X S+ 0 0 83 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.914 110.6 51.1 -57.7 -44.2 2.7 -9.3 -25.4 83 76 A I H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-2.6 0.943 112.5 45.1 -60.7 -47.9 1.0 -5.9 -25.1 84 77 A Q H <5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.7 48.6 -64.1 -34.1 1.0 -5.4 -29.0 85 78 A Q H <5S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.813 132.2 7.3 -79.7 -30.0 -0.2 -9.0 -29.5 86 79 A H H <5S+ 0 0 134 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.569 130.0 35.2-130.9 -11.9 -3.1 -9.0 -27.0 87 80 A L T <5S- 0 0 70 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.798 100.9 -90.8-114.2 -53.1 -3.8 -5.6 -25.5 88 81 A G < - 0 0 20 -5,-2.6 -1,-0.3 -74,-0.0 -2,-0.2 -0.954 42.0 -66.6 161.7-175.7 -3.2 -2.7 -27.9 89 82 A Q - 0 0 82 -2,-0.3 -75,-0.4 45,-0.1 2,-0.2 -0.931 51.5-128.2-107.1 111.0 -0.7 -0.3 -29.3 90 83 A P + 0 0 3 0, 0.0 -75,-0.2 0, 0.0 45,-0.1 -0.410 32.4 172.2 -65.2 120.7 0.2 2.2 -26.5 91 84 A L S S+ 0 0 29 -77,-2.7 51,-2.3 1,-0.2 2,-0.4 0.501 74.3 51.1-101.3 -13.3 -0.1 5.8 -27.7 92 85 A I E S+bd 15 142A 0 -78,-1.6 -76,-2.6 49,-0.2 2,-0.4 -1.000 70.9 179.1-123.3 122.1 0.4 7.3 -24.3 93 86 A V E -bd 16 143A 0 49,-2.6 51,-2.6 -2,-0.4 2,-0.6 -0.988 10.1-168.4-130.4 121.1 3.6 6.0 -22.5 94 87 A V E -bd 17 144A 0 -78,-2.8 -76,-2.2 -2,-0.4 2,-1.4 -0.940 10.3-155.4-113.3 112.5 4.5 7.2 -19.0 95 88 A N E + d 0 145A 7 49,-2.2 51,-2.6 -2,-0.6 -78,-0.1 -0.728 41.2 141.0 -88.1 89.6 8.0 6.2 -18.0 96 89 A N + 0 0 24 -2,-1.4 -1,-0.2 -78,-0.3 -71,-0.1 0.629 25.8 111.5-105.8 -24.3 7.5 6.3 -14.2 97 90 A A + 0 0 23 -3,-0.3 2,-0.3 -72,-0.1 -78,-0.1 -0.296 42.8 142.1 -60.0 136.9 9.5 3.3 -13.0 98 91 A G - 0 0 26 -79,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.965 28.8-160.9-171.7 158.7 12.5 4.4 -11.0 99 92 A I - 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