==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-NOV-12 4I08 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1; . AUTHOR J.HOU,M.CHRUSZCZ,H.ZHENG,T.OSINSKI,W.F.ANDERSON,W.MINOR,CENT . 488 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.9 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 2 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 2 A S 0 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.5 17.2 -13.5 14.9 2 3 A Q > + 0 0 161 3,-0.0 3,-0.8 4,-0.0 2,-0.3 0.445 360.0 109.0 -85.8 -4.3 16.7 -17.2 14.2 3 4 A F T 3 S- 0 0 21 1,-0.3 221,-0.0 222,-0.1 0, 0.0 -0.619 96.5 -10.2 -77.6 129.1 13.1 -16.8 15.5 4 5 A M T 3 S+ 0 0 3 -2,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.901 94.3 166.6 47.6 52.8 10.4 -17.0 12.7 5 6 A N < + 0 0 23 -3,-0.8 -1,-0.2 1,-0.1 27,-0.2 -0.859 27.1 179.1-107.2 122.5 13.2 -16.9 10.1 6 7 A L > + 0 0 1 25,-3.0 3,-2.1 -2,-0.5 28,-0.3 0.205 30.3 141.2-107.3 16.9 12.4 -17.8 6.5 7 8 A E T 3 S+ 0 0 140 24,-0.6 26,-0.2 1,-0.3 3,-0.1 -0.362 72.5 24.2 -58.4 132.8 15.9 -17.3 5.0 8 9 A G T 3 S+ 0 0 75 24,-0.6 2,-0.3 1,-0.4 -1,-0.3 0.290 98.9 113.8 94.4 -8.4 16.7 -20.0 2.4 9 10 A K < - 0 0 40 -3,-2.1 25,-3.0 23,-0.2 2,-0.5 -0.732 58.2-143.4 -97.3 143.9 13.0 -20.7 1.7 10 11 A V E -a 34 0A 12 -2,-0.3 74,-2.7 72,-0.3 75,-2.3 -0.952 20.5-164.6-106.4 122.3 11.3 -20.0 -1.6 11 12 A A E -ab 35 85A 0 23,-3.1 25,-2.9 -2,-0.5 2,-0.5 -0.905 11.6-161.7-114.1 133.0 7.7 -18.7 -1.2 12 13 A L E -ab 36 86A 0 73,-3.0 75,-3.0 -2,-0.4 2,-0.5 -0.968 10.4-176.5-113.2 120.3 5.0 -18.5 -3.9 13 14 A V E -ab 37 87A 0 23,-2.8 25,-1.7 -2,-0.5 3,-0.4 -0.960 14.1-149.4-119.6 109.9 2.1 -16.2 -3.0 14 15 A T S S+ 0 0 2 73,-2.2 75,-0.3 -2,-0.5 25,-0.1 -0.534 78.6 19.0 -80.2 144.7 -0.7 -16.2 -5.5 15 16 A G S S+ 0 0 20 -2,-0.2 6,-0.4 23,-0.2 3,-0.3 0.960 75.7 150.7 64.2 55.6 -2.7 -12.9 -5.9 16 17 A A + 0 0 0 22,-2.8 23,-0.2 -3,-0.4 -1,-0.1 0.197 37.1 96.9-105.4 13.4 -0.1 -10.7 -4.3 17 18 A S S S- 0 0 38 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.745 94.7 -5.0 -79.8 -20.0 -0.8 -7.4 -6.1 18 19 A R S >> S+ 0 0 173 -3,-0.3 4,-1.6 30,-0.0 3,-0.8 -0.932 105.5 7.3-160.0 174.0 -2.9 -5.9 -3.4 19 20 A G H 3> S- 0 0 29 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.088 118.9 -3.6 52.1-128.0 -4.6 -6.4 -0.1 20 21 A I H 3> S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 134.0 52.9 -70.2 -39.2 -4.0 -9.6 1.9 21 22 A G H <> S+ 0 0 1 -3,-0.8 4,-2.4 -6,-0.4 -5,-0.2 0.890 110.2 48.5 -65.5 -40.6 -1.8 -11.2 -0.7 22 23 A K H X S+ 0 0 73 -4,-1.6 4,-2.8 -7,-0.2 5,-0.2 0.945 111.4 49.3 -61.1 -51.5 0.5 -8.2 -0.9 23 24 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.888 111.8 50.2 -57.4 -40.2 0.8 -8.0 2.9 24 25 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.950 111.4 47.6 -59.5 -52.7 1.6 -11.7 3.0 25 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 113.0 48.7 -58.0 -43.5 4.3 -11.3 0.3 26 27 A E H X S+ 0 0 71 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.895 113.3 46.5 -65.9 -38.3 5.8 -8.3 2.1 27 28 A L H X S+ 0 0 17 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.915 110.2 51.1 -75.5 -40.2 5.9 -10.0 5.5 28 29 A L H <>S+ 0 0 2 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.890 112.5 48.4 -62.6 -38.0 7.4 -13.3 4.2 29 30 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.881 108.1 54.6 -67.6 -38.7 10.2 -11.2 2.4 30 31 A E H 3<5S+ 0 0 141 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 106.7 51.4 -61.3 -33.9 10.7 -9.3 5.7 31 32 A R T 3<5S- 0 0 30 -4,-1.9 -25,-3.0 -5,-0.1 -24,-0.6 0.443 130.9 -93.1 -85.7 -3.0 11.3 -12.6 7.5 32 33 A G T < 5S+ 0 0 27 -3,-1.0 -24,-0.6 -4,-0.3 -3,-0.2 0.391 75.9 139.6 118.2 1.4 13.8 -13.7 4.9 33 34 A A < - 0 0 3 -5,-2.6 2,-0.7 -26,-0.2 -1,-0.3 -0.360 56.0-122.3 -76.2 153.2 12.0 -15.7 2.3 34 35 A K E -a 10 0A 81 -25,-3.0 -23,-3.1 -28,-0.3 2,-0.4 -0.897 43.7-156.2 -88.5 118.7 12.7 -15.4 -1.5 35 36 A V E -ac 11 56A 0 20,-2.4 22,-1.8 -2,-0.7 2,-0.6 -0.861 26.2-171.3-114.5 128.1 9.2 -14.4 -2.6 36 37 A I E -ac 12 57A 0 -25,-2.9 -23,-2.8 -2,-0.4 2,-0.3 -0.979 17.0-173.7-109.1 116.0 7.4 -14.8 -6.0 37 38 A G E -ac 13 58A 0 20,-2.1 22,-1.6 -2,-0.6 2,-0.3 -0.812 8.8-148.7-104.2 151.7 4.1 -13.0 -5.9 38 39 A T E + c 0 59A 2 -25,-1.7 -22,-2.8 -2,-0.3 -21,-0.5 -0.930 17.4 179.1-126.4 152.2 1.6 -13.2 -8.8 39 40 A A E - c 0 60A 5 20,-1.4 22,-3.4 -2,-0.3 6,-0.0 -0.775 40.2-112.9-129.8 174.2 -1.0 -11.1 -10.5 40 41 A T S S+ 0 0 129 -2,-0.2 2,-0.3 20,-0.2 20,-0.1 0.565 97.9 47.0 -89.6 -10.8 -3.3 -11.8 -13.4 41 42 A S S > S- 0 0 54 18,-0.1 4,-2.3 1,-0.1 -2,-0.2 -0.859 81.8-121.4-127.3 162.4 -1.6 -9.2 -15.7 42 43 A E H > S+ 0 0 142 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.856 115.4 56.6 -70.1 -36.9 2.0 -8.3 -16.5 43 44 A S H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 109.2 46.8 -54.3 -47.5 1.4 -4.8 -15.2 44 45 A G H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.925 110.8 51.7 -62.9 -46.1 0.3 -6.3 -11.9 45 46 A A H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.879 107.8 53.1 -54.8 -41.7 3.4 -8.6 -12.0 46 47 A Q H X S+ 0 0 111 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 106.7 51.0 -63.7 -45.3 5.6 -5.6 -12.5 47 48 A A H X S+ 0 0 49 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.846 109.2 52.0 -60.0 -36.6 4.2 -3.7 -9.5 48 49 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.925 109.0 49.5 -66.0 -44.8 4.9 -6.8 -7.4 49 50 A S H X S+ 0 0 34 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.866 108.6 56.3 -55.7 -38.4 8.5 -6.9 -8.7 50 51 A D H < S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 111.4 39.4 -63.6 -41.1 8.7 -3.2 -7.8 51 52 A Y H < S+ 0 0 53 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.765 115.7 51.0 -87.2 -23.7 7.7 -3.7 -4.1 52 53 A L H >< S+ 0 0 3 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.770 79.5 172.5 -81.1 -27.1 9.7 -6.9 -3.5 53 54 A G G >< S- 0 0 44 -4,-1.7 3,-1.1 1,-0.3 -1,-0.2 -0.253 71.2 -9.4 55.3-132.7 13.0 -5.4 -4.9 54 55 A D G 3 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.542 126.1 75.8 -75.3 -4.2 15.9 -7.8 -4.4 55 56 A N G < S- 0 0 83 -3,-2.3 -20,-2.4 1,-0.1 2,-0.3 0.480 113.8 -49.9 -85.5 -5.0 13.7 -10.1 -2.1 56 57 A G E < -c 35 0A 11 -3,-1.1 2,-0.3 -22,-0.2 -20,-0.2 -0.988 58.5-105.7 168.2-157.9 11.8 -11.7 -5.0 57 58 A K E -c 36 0A 70 -22,-1.8 -20,-2.1 -2,-0.3 2,-0.3 -0.949 19.1-106.7-156.3 172.3 9.8 -10.9 -8.1 58 59 A G E -c 37 0A 10 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.783 27.8-179.9-106.1 146.5 6.4 -10.8 -9.8 59 60 A M E -c 38 0A 24 -22,-1.6 -20,-1.4 -2,-0.3 2,-0.4 -0.991 31.9-111.0-141.2 151.9 5.0 -13.1 -12.4 60 61 A A E +c 39 0A 26 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.657 44.0 170.4 -81.5 129.0 1.7 -13.3 -14.3 61 62 A L - 0 0 5 -22,-3.4 2,-0.6 -2,-0.4 -46,-0.1 -0.984 30.0-166.7-145.3 131.1 -0.5 -16.2 -13.2 62 63 A N > - 0 0 68 -2,-0.3 3,-1.9 3,-0.2 7,-0.3 -0.979 16.4-156.9-108.3 112.5 -4.1 -17.3 -13.9 63 64 A V T 3 S+ 0 0 9 -2,-0.6 57,-0.1 1,-0.3 56,-0.1 0.556 90.0 60.2 -72.4 -7.5 -4.7 -20.0 -11.2 64 65 A T T 3 S+ 0 0 46 1,-0.1 -1,-0.3 55,-0.1 48,-0.0 0.375 91.0 82.6 -92.8 0.3 -7.5 -21.6 -13.4 65 66 A N <> - 0 0 62 -3,-1.9 4,-2.4 1,-0.1 3,-0.5 -0.905 61.9-161.4-117.0 107.0 -5.1 -22.2 -16.3 66 67 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.800 94.1 50.2 -48.3 -39.6 -2.9 -25.4 -16.2 67 68 A E H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.836 109.2 50.0 -77.3 -33.6 -0.5 -24.0 -18.7 68 69 A S H > S+ 0 0 21 -3,-0.5 4,-2.4 -6,-0.2 5,-0.2 0.937 111.3 50.1 -62.5 -48.7 -0.0 -20.7 -16.9 69 70 A I H X S+ 0 0 8 -4,-2.4 4,-2.2 -7,-0.3 -2,-0.2 0.902 111.9 47.7 -56.1 -46.8 0.6 -22.7 -13.6 70 71 A E H X S+ 0 0 140 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 111.4 50.8 -63.1 -42.2 3.2 -24.9 -15.4 71 72 A A H X S+ 0 0 63 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.894 111.8 47.1 -63.7 -41.3 4.9 -21.9 -16.9 72 73 A V H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.897 113.5 46.6 -70.0 -42.8 5.2 -20.1 -13.6 73 74 A L H X S+ 0 0 17 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.900 111.7 49.8 -68.9 -40.4 6.5 -23.0 -11.6 74 75 A K H X S+ 0 0 137 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.920 112.6 48.9 -63.9 -41.8 9.1 -24.0 -14.2 75 76 A A H X S+ 0 0 39 -4,-1.8 4,-2.0 -5,-0.2 5,-0.3 0.918 115.2 43.8 -61.7 -48.2 10.3 -20.4 -14.3 76 77 A I H X>S+ 0 0 0 -4,-2.4 4,-3.6 2,-0.2 5,-0.7 0.947 115.5 48.3 -59.5 -50.0 10.5 -20.3 -10.5 77 78 A T H X5S+ 0 0 68 -4,-3.5 4,-1.4 3,-0.2 -2,-0.2 0.900 111.0 50.7 -61.5 -44.2 12.2 -23.7 -10.3 78 79 A D H <5S+ 0 0 116 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.943 123.5 29.0 -54.7 -51.7 14.7 -22.7 -13.0 79 80 A E H <5S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.911 139.1 15.5 -81.0 -45.4 15.7 -19.5 -11.2 80 81 A F H <5S- 0 0 52 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.495 98.4-120.6-112.5 -6.7 15.1 -20.2 -7.5 81 82 A G << - 0 0 30 -4,-1.4 -1,-0.3 -5,-0.7 -2,-0.1 -0.378 62.5 -15.8 80.7-172.2 14.8 -23.9 -7.2 82 83 A G S S- 0 0 24 1,-0.1 -72,-0.3 -2,-0.1 2,-0.2 -0.247 74.8 -98.8 -73.6 150.8 11.7 -25.6 -5.8 83 84 A V - 0 0 8 1,-0.2 -72,-0.2 -74,-0.1 3,-0.1 -0.415 33.2-179.8 -70.6 130.6 8.9 -23.9 -3.8 84 85 A D S S+ 0 0 13 -74,-2.7 51,-2.0 1,-0.3 2,-0.5 0.738 73.0 34.6 -95.6 -34.1 9.2 -24.3 -0.0 85 86 A I E -bd 11 135A 0 -75,-2.3 -73,-3.0 49,-0.2 2,-0.5 -0.987 65.7-167.0-128.8 120.4 6.1 -22.3 1.0 86 87 A L E -bd 12 136A 0 49,-3.1 51,-3.2 -2,-0.5 2,-0.6 -0.943 2.2-172.1-107.8 122.5 2.9 -22.2 -1.1 87 88 A V E -bd 13 137A 0 -75,-3.0 -73,-2.2 -2,-0.5 2,-1.2 -0.960 8.2-160.5-113.1 108.7 0.3 -19.5 -0.1 88 89 A N E + d 0 138A 5 49,-1.9 51,-2.4 -2,-0.6 -75,-0.1 -0.766 38.2 139.3 -88.9 92.2 -2.9 -20.0 -2.0 89 90 A N + 0 0 25 -2,-1.2 -1,-0.2 -75,-0.3 -74,-0.2 0.755 27.2 110.0-107.4 -34.4 -4.4 -16.6 -1.7 90 91 A A + 0 0 26 -3,-0.3 2,-0.3 -69,-0.1 49,-0.1 -0.097 44.1 132.4 -47.5 131.0 -5.9 -15.8 -5.1 91 92 A G - 0 0 42 -76,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.974 33.2-153.7-174.2 167.3 -9.7 -15.8 -5.0 92 93 A I - 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