==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-11 3U09 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.HOU,M.CHRUSZCZ,H.ZHENG,M.GRABOWSKI,Z.FRATCZAK,W.F.ANDERSON . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.7 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 . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 0 0 2 0 0 4 4 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 2 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 2 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 0 115 0, 0.0 5,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -62.7 -17.7 11.0 -3.1 2 2 A S - 0 0 41 2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.175 360.0-103.2 -77.3 178.6 -17.4 13.5 -0.2 3 3 A Q S > S+ 0 0 187 2,-0.1 3,-0.7 4,-0.0 2,-0.4 0.500 90.8 107.3 -79.8 -5.1 -16.8 17.2 -0.6 4 4 A F T 3 S- 0 0 5 1,-0.3 -2,-0.2 225,-0.1 224,-0.0 -0.622 97.2 -13.4 -80.8 130.4 -13.2 16.6 0.4 5 5 A M T 3 S+ 0 0 3 -2,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.909 93.1 167.2 46.4 53.7 -10.5 16.9 -2.3 6 6 A N < + 0 0 29 -3,-0.7 -1,-0.2 1,-0.1 27,-0.2 -0.893 26.4 178.4-109.5 121.7 -13.3 16.8 -4.9 7 7 A L > + 0 0 2 25,-3.1 3,-2.2 -2,-0.5 28,-0.3 0.194 31.3 138.8-108.2 13.8 -12.5 17.6 -8.5 8 8 A E T 3 S+ 0 0 130 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.366 72.4 28.8 -59.8 134.3 -16.0 17.1 -10.0 9 9 A G T 3 S+ 0 0 76 24,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.334 98.7 112.0 93.6 -9.6 -16.7 19.9 -12.5 10 10 A K < - 0 0 35 -3,-2.2 25,-2.9 23,-0.2 2,-0.5 -0.816 56.9-147.1-101.0 143.4 -13.0 20.4 -13.3 11 11 A V E -a 35 0A 10 -2,-0.4 74,-2.6 72,-0.3 75,-2.1 -0.948 19.6-163.9-106.1 120.1 -11.4 19.6 -16.7 12 12 A A E -ab 36 86A 0 23,-3.1 25,-3.4 -2,-0.5 2,-0.6 -0.907 11.8-161.3-112.9 130.4 -7.7 18.4 -16.3 13 13 A L E -ab 37 87A 1 73,-2.8 75,-3.0 -2,-0.4 2,-0.5 -0.967 11.9-175.1-108.0 119.2 -5.1 18.2 -19.0 14 14 A V E -ab 38 88A 0 23,-2.6 25,-2.1 -2,-0.6 3,-0.4 -0.963 14.0-147.0-119.0 112.2 -2.2 15.9 -18.1 15 15 A T S S+ 0 0 4 73,-2.3 75,-0.1 -2,-0.5 25,-0.1 -0.479 78.8 17.7 -80.7 149.3 0.7 15.8 -20.6 16 16 A G S S+ 0 0 23 74,-0.2 3,-0.4 -2,-0.1 6,-0.3 0.938 73.9 155.8 56.5 54.1 2.6 12.6 -21.0 17 17 A A + 0 0 0 22,-2.1 23,-0.1 -3,-0.4 -1,-0.1 0.186 36.4 100.9 -96.0 14.9 -0.0 10.4 -19.4 18 18 A S S S- 0 0 31 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.866 90.8 -12.6 -68.7 -36.8 0.9 7.0 -21.1 19 19 A R S >> S+ 0 0 168 -3,-0.4 4,-2.0 4,-0.0 3,-0.6 -0.859 104.4 9.5-151.3 175.5 2.8 5.4 -18.2 20 20 A G H 3> S- 0 0 28 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.024 121.1 -0.1 54.5-132.6 4.4 5.9 -14.8 21 21 A I H 3> S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 134.6 51.3 -62.3 -47.6 3.9 9.2 -13.1 22 22 A G H <> S+ 0 0 2 -3,-0.6 4,-2.7 -6,-0.3 -5,-0.2 0.927 112.2 46.2 -59.4 -44.0 1.7 10.8 -15.8 23 23 A K H X S+ 0 0 73 -4,-2.0 4,-2.8 -7,-0.2 5,-0.2 0.918 111.9 51.6 -63.5 -41.2 -0.7 7.7 -15.9 24 24 A A H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 111.6 48.1 -60.3 -43.4 -0.9 7.7 -12.1 25 25 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.955 111.8 47.9 -61.2 -53.3 -1.8 11.4 -12.2 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 113.2 48.8 -57.3 -44.9 -4.4 11.0 -14.8 27 27 A E H X S+ 0 0 89 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.902 113.2 45.6 -62.3 -43.8 -6.0 8.0 -13.1 28 28 A L H X S+ 0 0 16 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.908 110.6 52.5 -71.0 -39.4 -6.1 9.7 -9.6 29 29 A L H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 -2,-0.2 0.940 112.1 47.0 -60.8 -43.6 -7.5 13.0 -11.0 30 30 A A H ><5S+ 0 0 11 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.911 108.7 55.1 -59.9 -43.5 -10.3 10.9 -12.7 31 31 A E H 3<5S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.1 52.5 -57.9 -34.7 -10.9 9.0 -9.4 32 32 A R T 3<5S- 0 0 16 -4,-1.9 -25,-3.1 -3,-0.2 -24,-0.5 0.394 130.6 -94.6 -89.0 6.9 -11.4 12.4 -7.7 33 33 A G T < 5S+ 0 0 28 -3,-1.7 -24,-0.6 1,-0.3 -3,-0.2 0.355 76.6 139.9 105.7 -2.5 -14.0 13.4 -10.2 34 34 A A < - 0 0 2 -5,-2.3 2,-0.7 -26,-0.2 -1,-0.3 -0.365 55.6-124.3 -70.0 146.3 -12.1 15.4 -12.8 35 35 A K E -a 11 0A 80 -25,-2.9 -23,-3.1 -28,-0.3 2,-0.4 -0.871 41.4-155.5 -83.4 121.1 -12.7 15.0 -16.5 36 36 A V E -ac 12 57A 0 20,-2.3 22,-1.9 -2,-0.7 2,-0.5 -0.838 25.3-170.7-113.7 130.5 -9.2 14.2 -17.7 37 37 A I E -ac 13 58A 0 -25,-3.4 -23,-2.6 -2,-0.4 2,-0.3 -0.977 17.1-170.5-110.9 117.8 -7.5 14.6 -21.0 38 38 A G E -ac 14 59A 0 20,-1.8 22,-2.1 -2,-0.5 2,-0.3 -0.823 8.3-146.0-105.9 146.4 -4.2 12.8 -21.1 39 39 A T E + c 0 60A 5 -25,-2.1 -22,-2.1 -2,-0.3 -21,-0.4 -0.815 18.1 176.6-119.3 155.9 -1.6 13.2 -23.9 40 40 A A E - c 0 61A 8 20,-1.6 22,-2.6 -2,-0.3 6,-0.1 -0.899 39.1-118.0-139.9 167.2 0.9 11.1 -25.7 41 41 A T S S+ 0 0 136 -2,-0.3 2,-0.3 20,-0.2 20,-0.1 0.740 96.0 53.3 -80.4 -23.9 3.2 11.8 -28.6 42 42 A S S > S- 0 0 50 1,-0.1 4,-2.4 18,-0.1 5,-0.1 -0.800 79.9-126.0-115.2 156.0 1.6 9.1 -30.8 43 43 A E H > S+ 0 0 144 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.872 114.0 52.9 -63.9 -37.6 -1.9 8.3 -31.8 44 44 A S H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 109.3 50.3 -65.5 -39.0 -1.6 4.7 -30.5 45 45 A G H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.922 109.5 50.7 -60.0 -46.4 -0.5 6.2 -27.2 46 46 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 13,-0.2 0.912 108.8 51.6 -57.7 -43.3 -3.5 8.5 -27.2 47 47 A Q H X S+ 0 0 107 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.891 106.2 53.8 -65.3 -37.4 -5.8 5.6 -27.8 48 48 A A H X S+ 0 0 50 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.833 109.6 49.2 -62.0 -35.2 -4.3 3.7 -24.9 49 49 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.925 109.6 50.1 -70.2 -46.3 -5.0 6.7 -22.7 50 50 A S H X S+ 0 0 28 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 109.6 55.1 -53.0 -39.9 -8.6 6.8 -24.0 51 51 A D H < S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.7 39.2 -66.2 -44.8 -8.8 3.1 -23.2 52 52 A Y H < S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.6 48.8 -78.1 -27.9 -7.8 3.4 -19.5 53 53 A L H >< S+ 0 0 10 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.809 79.6 165.3 -80.4 -31.4 -9.8 6.6 -18.8 54 54 A G G >< S- 0 0 42 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 -0.255 70.4 -0.8 55.6-128.1 -13.0 5.4 -20.4 55 55 A D G 3 S+ 0 0 151 1,-0.2 -1,-0.3 -20,-0.0 -2,-0.1 0.551 126.8 68.6 -71.0 -8.9 -16.0 7.6 -19.5 56 56 A N G < S- 0 0 83 -3,-2.2 -20,-2.3 1,-0.1 2,-0.3 0.464 116.6 -51.1 -95.3 2.0 -13.9 9.9 -17.3 57 57 A G E < -c 36 0A 11 -3,-1.3 2,-0.3 -22,-0.2 -20,-0.2 -0.985 55.5-101.4 167.6-150.0 -11.9 11.4 -20.2 58 58 A K E -c 37 0A 68 -22,-1.9 -20,-1.8 -2,-0.3 2,-0.3 -0.988 19.9-111.9-163.3 163.2 -9.9 10.8 -23.3 59 59 A G E -c 38 0A 8 -2,-0.3 2,-0.3 -13,-0.2 -20,-0.2 -0.807 28.4-175.4-105.2 144.4 -6.4 10.6 -24.8 60 60 A M E -c 39 0A 20 -22,-2.1 -20,-1.6 -2,-0.3 2,-0.4 -0.994 29.0-116.8-136.7 145.4 -5.0 13.0 -27.4 61 61 A A E +c 40 0A 26 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.679 40.6 176.4 -76.0 129.1 -1.8 13.2 -29.4 62 62 A L - 0 0 6 -22,-2.6 2,-0.8 -2,-0.4 -46,-0.1 -0.990 28.3-155.5-138.4 131.3 0.1 16.4 -28.5 63 63 A N > - 0 0 76 -2,-0.4 3,-1.8 3,-0.2 7,-0.3 -0.920 13.2-162.5-102.0 105.3 3.4 17.6 -29.6 64 64 A V T 3 S+ 0 0 15 -2,-0.8 57,-0.2 1,-0.3 56,-0.1 0.564 87.2 54.0 -72.0 -10.8 4.4 19.9 -26.6 65 65 A T T 3 S+ 0 0 46 1,-0.1 -1,-0.3 55,-0.1 48,-0.0 0.237 97.0 81.1-100.5 11.4 7.1 21.7 -28.7 66 66 A N X> - 0 0 53 -3,-1.8 4,-1.9 1,-0.1 3,-0.6 -0.915 62.1-157.5-127.8 110.5 4.6 22.6 -31.5 67 67 A P H 3> S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.770 93.9 52.8 -49.2 -41.6 2.2 25.6 -31.4 68 68 A E H 3> S+ 0 0 151 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 108.4 50.5 -67.5 -40.5 -0.3 24.2 -33.9 69 69 A S H <> S+ 0 0 23 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.923 111.7 48.4 -60.2 -47.2 -0.7 20.9 -32.0 70 70 A I H X S+ 0 0 9 -4,-1.9 4,-2.6 -7,-0.3 5,-0.3 0.948 112.4 48.9 -59.6 -49.8 -1.3 22.8 -28.7 71 71 A E H X S+ 0 0 148 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.915 113.0 47.0 -55.6 -46.6 -3.9 25.0 -30.5 72 72 A A H X S+ 0 0 61 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.910 112.8 49.0 -63.6 -44.4 -5.7 22.0 -32.0 73 73 A V H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.929 112.3 46.7 -64.9 -45.9 -5.7 20.1 -28.7 74 74 A L H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.891 110.4 53.3 -65.7 -38.5 -7.1 22.9 -26.6 75 75 A K H X S+ 0 0 133 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.933 110.8 47.1 -58.7 -44.2 -9.8 23.7 -29.2 76 76 A A H X S+ 0 0 38 -4,-2.0 4,-1.8 2,-0.2 5,-0.3 0.862 114.2 47.3 -65.8 -37.5 -10.9 20.1 -29.1 77 77 A I H X>S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-1.2 0.960 111.9 49.0 -70.0 -49.9 -10.9 20.1 -25.3 78 78 A T H X5S+ 0 0 74 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.911 112.4 50.4 -54.4 -44.6 -12.8 23.4 -25.1 79 79 A D H <5S+ 0 0 112 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.889 122.9 27.0 -61.8 -46.0 -15.4 22.1 -27.6 80 80 A E H <5S+ 0 0 120 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.872 139.6 13.9 -87.8 -40.6 -16.2 18.7 -25.9 81 81 A F H <5S- 0 0 42 -4,-3.0 -3,-0.2 1,-0.3 2,-0.2 0.665 102.1-107.9-111.5 -24.1 -15.4 19.3 -22.2 82 82 A G << - 0 0 28 -5,-1.2 -1,-0.3 -4,-0.7 -2,-0.1 -0.378 61.4 -32.8 98.5 169.5 -15.1 23.1 -21.7 83 83 A G S S- 0 0 29 -2,-0.2 -72,-0.3 1,-0.1 2,-0.2 -0.181 73.7 -89.9 -66.7 154.6 -11.9 25.0 -21.0 84 84 A V + 0 0 9 1,-0.2 -72,-0.2 -74,-0.1 -1,-0.1 -0.420 40.5 174.8 -67.6 127.2 -9.0 23.5 -19.0 85 85 A D S S+ 0 0 19 -74,-2.6 51,-1.7 1,-0.3 2,-0.4 0.634 72.7 35.7-100.3 -29.3 -9.3 24.2 -15.3 86 86 A I E -bd 12 136A 1 -75,-2.1 -73,-2.8 49,-0.2 2,-0.5 -0.976 65.1-169.6-132.0 120.5 -6.2 22.1 -14.3 87 87 A L E -bd 13 137A 0 49,-2.7 51,-3.1 -2,-0.4 2,-0.6 -0.944 1.6-169.8-108.9 125.2 -3.0 21.8 -16.3 88 88 A V E -bd 14 138A 0 -75,-3.0 -73,-2.3 -2,-0.5 2,-1.2 -0.958 9.4-156.7-113.8 109.8 -0.4 19.2 -15.2 89 89 A N E + d 0 139A 5 49,-2.3 51,-2.9 -2,-0.6 -75,-0.1 -0.738 40.6 137.7 -87.3 93.5 2.9 19.7 -17.1 90 90 A N + 0 0 17 -2,-1.2 -1,-0.2 49,-0.2 -74,-0.2 0.733 28.2 105.8-111.7 -30.2 4.3 16.2 -16.8 91 91 A A + 0 0 33 -3,-0.3 2,-0.3 -69,-0.1 -75,-0.1 -0.325 45.9 145.2 -56.3 121.6 5.8 15.4 -20.2 92 92 A D - 0 0 60 -2,-0.1 2,-0.3 -76,-0.1 22,-0.1 -0.972 29.9-153.6-151.7 168.2 9.6 15.6 -20.0 93 93 A I - 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