==== 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 17-MAY-13 4BO0 . 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 . 957 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 738 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 74 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 40.2 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 0 4 0 4 8 0 4 0 0 0 0 0 0 0 1 0 0 1 4 2 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 10 6 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 1 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 . 1 0 0 0 0 3 1 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 0 A S 0 0 114 0, 0.0 217,-0.3 0, 0.0 216,-0.1 0.000 360.0 360.0 360.0 -31.3 -11.0 11.2 -67.0 2 1 A M + 0 0 57 215,-0.1 2,-0.2 214,-0.1 214,-0.1 0.022 360.0 119.9-135.0 20.6 -12.5 8.0 -65.4 3 2 A S - 0 0 66 1,-0.1 214,-0.3 27,-0.1 27,-0.2 -0.571 48.3-163.7 -95.6 156.5 -10.2 5.5 -67.1 4 3 A L > + 0 0 6 25,-3.9 3,-1.8 -2,-0.2 28,-0.2 -0.165 34.3 155.7-124.0 34.5 -7.6 2.9 -65.8 5 4 A Q T 3 + 0 0 155 1,-0.3 26,-0.2 24,-0.2 3,-0.1 -0.391 69.0 11.8 -68.9 135.7 -5.8 2.4 -69.0 6 5 A G T 3 S+ 0 0 70 24,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.457 99.7 122.5 79.2 -0.3 -2.2 1.2 -68.5 7 6 A K < - 0 0 58 -3,-1.8 25,-3.0 23,-0.2 2,-0.5 -0.810 55.3-142.2 -97.4 137.1 -2.8 0.4 -64.8 8 7 A V E -a 32 0A 14 75,-0.5 78,-1.9 -2,-0.4 77,-1.8 -0.855 18.5-165.2 -96.7 131.0 -2.3 -3.0 -63.4 9 8 A A E -ab 33 86A 0 23,-2.8 25,-2.9 -2,-0.5 2,-0.5 -0.959 10.4-154.8-121.8 129.5 -4.8 -4.1 -60.7 10 9 A L E -ab 34 87A 0 76,-3.2 78,-3.1 -2,-0.4 2,-0.5 -0.900 12.6-175.4 -99.8 126.2 -4.6 -7.0 -58.3 11 10 A V E -ab 35 88A 0 23,-2.7 25,-2.3 -2,-0.5 3,-0.5 -0.954 12.1-152.0-126.0 113.0 -7.9 -8.3 -57.1 12 11 A T E S+a 36 0A 0 76,-2.2 25,-0.1 -2,-0.5 78,-0.1 -0.595 77.4 18.2 -87.0 143.5 -7.7 -11.0 -54.4 13 12 A G S S+ 0 0 22 23,-0.6 3,-0.4 -2,-0.2 6,-0.4 0.925 76.9 151.9 63.7 49.2 -10.5 -13.6 -54.2 14 13 A A + 0 0 3 22,-2.2 23,-0.1 -3,-0.5 9,-0.1 0.279 39.2 93.2 -96.4 10.5 -11.8 -12.9 -57.7 15 14 A S S S+ 0 0 33 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.749 92.7 14.7 -78.0 -22.1 -13.3 -16.3 -58.5 16 15 A R S >> S- 0 0 140 -3,-0.4 4,-1.7 162,-0.0 3,-0.7 -0.925 104.7 -20.1-148.1 164.9 -16.9 -15.5 -57.4 17 16 A G H 3> S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.048 120.0 7.5 43.9-118.4 -19.4 -12.8 -56.3 18 17 A I H 3> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 132.1 50.0 -68.4 -46.8 -18.0 -9.4 -55.2 19 18 A G H <> S+ 0 0 0 -3,-0.7 4,-2.0 -6,-0.4 -1,-0.2 0.874 112.2 48.6 -56.7 -43.8 -14.4 -10.2 -56.1 20 19 A Q H X S+ 0 0 50 -4,-1.7 4,-2.2 -7,-0.2 -2,-0.2 0.926 111.8 49.5 -62.1 -46.2 -15.4 -11.3 -59.6 21 20 A A H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.866 110.2 50.0 -65.1 -38.9 -17.5 -8.3 -60.1 22 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.892 108.7 53.1 -64.1 -40.7 -14.7 -6.0 -59.0 23 22 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 111.8 45.3 -62.3 -43.3 -12.3 -7.7 -61.4 24 23 A L H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.854 112.6 51.5 -68.6 -35.0 -14.8 -7.2 -64.4 25 24 A E H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 109.9 47.0 -69.2 -44.5 -15.4 -3.6 -63.4 26 25 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.908 112.5 52.5 -64.5 -39.4 -11.7 -2.6 -63.2 27 26 A G H ><5S+ 0 0 11 -4,-1.9 3,-2.1 -5,-0.2 -2,-0.2 0.927 106.0 53.0 -56.5 -46.7 -11.3 -4.4 -66.6 28 27 A R H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 103.8 56.3 -59.4 -37.3 -14.1 -2.3 -68.1 29 28 A L T 3<5S- 0 0 13 -4,-1.9 -25,-3.9 -5,-0.1 -1,-0.3 0.401 129.9-101.1 -76.2 3.0 -12.4 0.9 -66.9 30 29 A G T < 5S+ 0 0 26 -3,-2.1 -24,-0.7 1,-0.3 -23,-0.2 0.527 72.9 144.7 95.3 10.4 -9.4 -0.4 -68.9 31 30 A A < - 0 0 5 -5,-2.5 2,-0.7 -26,-0.2 25,-0.3 -0.406 55.5-118.1 -76.7 154.7 -7.2 -1.9 -66.2 32 31 A V E -a 8 0A 31 -25,-3.0 -23,-2.8 -28,-0.2 2,-0.6 -0.871 41.4-148.9 -89.4 118.9 -5.1 -4.9 -66.7 33 32 A V E -ac 9 57A 0 23,-2.3 25,-1.6 -2,-0.7 2,-0.7 -0.801 24.5-173.9-109.7 116.6 -6.5 -7.2 -64.1 34 33 A I E -ac 10 58A 1 -25,-2.9 -23,-2.7 -2,-0.6 2,-0.4 -0.909 16.8-172.1 -96.1 107.9 -4.8 -10.0 -62.1 35 34 A G E -ac 11 59A 0 23,-2.3 25,-1.8 -2,-0.7 2,-0.3 -0.810 6.6-155.1 -97.1 144.4 -7.4 -11.8 -60.2 36 35 A T E +ac 12 60A 3 -25,-2.3 -22,-2.2 -2,-0.4 -23,-0.6 -0.875 16.8 175.7-122.7 156.7 -6.4 -14.4 -57.6 37 36 A A E - c 0 61A 6 23,-2.1 25,-3.0 -2,-0.3 6,-0.0 -0.854 40.0-114.1-141.2 175.6 -7.8 -17.5 -55.9 38 37 A T S S+ 0 0 113 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.453 94.3 52.0 -96.6 -2.2 -6.4 -20.1 -53.5 39 38 A S S > S- 0 0 47 21,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.927 80.0-121.1-133.4 160.1 -6.6 -23.0 -55.9 40 39 A A H > S+ 0 0 74 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.884 113.8 51.7 -63.0 -45.5 -5.4 -23.8 -59.4 41 40 A S H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.861 110.0 51.5 -63.7 -35.2 -8.9 -24.5 -60.8 42 41 A G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 108.5 50.7 -65.9 -42.3 -10.0 -21.1 -59.3 43 42 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 112.3 46.3 -62.0 -46.9 -7.2 -19.3 -61.0 44 43 A E H X S+ 0 0 128 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.920 110.6 52.9 -64.0 -38.6 -8.0 -20.9 -64.3 45 44 A K H X S+ 0 0 92 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.910 109.2 50.4 -60.2 -40.3 -11.7 -20.1 -63.8 46 45 A I H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 109.7 50.7 -59.3 -45.2 -10.7 -16.5 -63.2 47 46 A A H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.894 110.4 48.3 -62.0 -40.4 -8.6 -16.5 -66.4 48 47 A E H X S+ 0 0 102 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.872 110.3 52.4 -69.1 -35.1 -11.5 -17.9 -68.5 49 48 A T H < S+ 0 0 23 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.890 110.0 47.0 -67.7 -40.8 -13.9 -15.3 -67.1 50 49 A L H ><>S+ 0 0 5 -4,-2.0 5,-2.7 2,-0.2 3,-0.9 0.911 112.9 50.7 -66.2 -43.0 -11.6 -12.4 -67.9 51 50 A K H ><5S+ 0 0 164 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.963 107.8 50.8 -58.5 -53.8 -11.1 -13.8 -71.4 52 51 A A T 3<5S+ 0 0 87 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.492 113.5 47.4 -65.3 -6.9 -14.8 -14.2 -72.1 53 52 A N T < 5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.220 115.2-112.7-115.4 10.7 -15.4 -10.5 -71.0 54 53 A G T < 5 + 0 0 73 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.707 67.6 143.9 67.9 23.9 -12.5 -9.1 -73.1 55 54 A V < - 0 0 20 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.834 45.5-134.8 -98.0 127.8 -10.4 -8.1 -70.1 56 55 A E + 0 0 139 -2,-0.5 -23,-2.3 -25,-0.3 2,-0.3 -0.467 60.7 67.7 -72.5 149.0 -6.6 -8.4 -70.3 57 56 A G E -c 33 0A 34 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.3 -0.988 66.8 -85.4 143.4-149.7 -4.9 -10.0 -67.3 58 57 A A E -c 34 0A 35 -25,-1.6 -23,-2.3 -2,-0.3 2,-0.5 -0.991 12.4-127.8-160.5 157.7 -4.4 -13.3 -65.5 59 58 A G E +c 35 0A 21 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.975 37.2 173.1-108.7 129.4 -5.7 -15.7 -62.9 60 59 A L E -c 36 0A 30 -25,-1.8 -23,-2.1 -2,-0.5 2,-0.6 -0.957 35.0-109.4-136.2 162.5 -3.2 -16.9 -60.3 61 60 A V E +c 37 0A 68 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.749 42.2 167.9 -90.5 122.6 -3.0 -18.9 -57.1 62 61 A L - 0 0 4 -25,-3.0 2,-0.6 -2,-0.6 -49,-0.1 -0.997 26.0-161.5-138.4 131.0 -2.3 -16.7 -54.0 63 62 A D > - 0 0 73 -2,-0.4 3,-1.6 3,-0.2 7,-0.3 -0.938 9.1-163.6-109.9 106.4 -2.5 -17.6 -50.3 64 63 A V T 3 S+ 0 0 14 -2,-0.6 45,-0.2 1,-0.3 -1,-0.1 0.599 84.2 63.3 -70.8 -11.1 -2.8 -14.3 -48.5 65 64 A S T 3 S+ 0 0 63 43,-0.1 2,-0.4 27,-0.1 -1,-0.3 0.281 93.7 77.3 -91.4 11.4 -1.9 -15.8 -45.1 66 65 A S <> - 0 0 29 -3,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.978 60.9-159.2-132.9 123.3 1.6 -16.8 -46.4 67 66 A D H > S+ 0 0 110 -2,-0.4 4,-3.2 2,-0.2 5,-0.2 0.920 98.2 53.7 -67.8 -41.2 4.6 -14.6 -46.9 68 67 A E H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.952 111.3 45.4 -54.8 -51.9 6.2 -17.0 -49.3 69 68 A S H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 114.8 47.4 -62.0 -45.8 3.0 -17.1 -51.4 70 69 A V H X S+ 0 0 5 -4,-2.4 4,-2.2 -7,-0.3 5,-0.2 0.967 114.5 46.4 -58.9 -52.1 2.7 -13.3 -51.4 71 70 A A H X S+ 0 0 47 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.932 116.3 43.5 -60.2 -46.7 6.4 -12.7 -52.2 72 71 A A H X S+ 0 0 43 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.896 111.8 53.7 -66.0 -40.9 6.5 -15.2 -55.0 73 72 A T H X S+ 0 0 10 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.896 109.5 47.9 -62.8 -43.2 3.2 -14.1 -56.5 74 73 A L H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.919 108.4 54.5 -63.2 -43.2 4.3 -10.5 -56.7 75 74 A E H X S+ 0 0 116 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.949 109.0 50.2 -54.9 -49.1 7.6 -11.5 -58.3 76 75 A H H X S+ 0 0 115 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.864 112.3 44.9 -52.6 -47.3 5.5 -13.3 -60.9 77 76 A I H X>S+ 0 0 6 -4,-1.9 5,-2.9 2,-0.2 4,-2.5 0.895 113.6 51.1 -68.7 -40.7 3.3 -10.4 -61.7 78 77 A Q H <5S+ 0 0 73 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.934 113.8 42.6 -63.6 -47.7 6.3 -8.0 -61.7 79 78 A Q H <5S+ 0 0 173 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 127.7 29.3 -65.0 -44.5 8.3 -10.1 -64.2 80 79 A H H <5S+ 0 0 151 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.912 137.4 5.5 -86.6 -47.0 5.3 -10.9 -66.5 81 80 A L T <5S- 0 0 69 -4,-2.5 -3,-0.2 -5,-0.4 2,-0.2 0.757 99.6-101.1-115.0 -34.3 2.9 -8.0 -66.3 82 81 A G < - 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