==== 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 27-SEP-11 3TZK . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.HOU,M.CHRUSZCZ,H.ZHENG,M.GRABOWSKI,M.DOMAGALSKI,W.F.ANDERS . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.8 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 . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 38.7 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 2 A S 0 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.7 -2.9 21.7 0.1 2 3 A Q > + 0 0 185 2,-0.0 3,-0.7 4,-0.0 2,-0.4 0.474 360.0 109.8 -78.1 -4.9 -6.4 23.1 0.8 3 4 A F T 3 S- 0 0 15 1,-0.3 3,-0.1 225,-0.1 224,-0.0 -0.601 95.2 -14.6 -82.5 128.9 -7.7 19.7 -0.3 4 5 A M T 3 S+ 0 0 3 -2,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.914 93.5 164.7 47.4 53.0 -9.2 17.4 2.4 5 6 A N < + 0 0 40 -3,-0.7 -1,-0.2 1,-0.1 27,-0.2 -0.899 27.4 180.0-112.3 120.2 -7.7 19.7 5.0 6 7 A L > + 0 0 2 25,-3.0 3,-2.2 -2,-0.5 28,-0.3 0.163 30.5 140.6-109.2 15.4 -8.9 19.5 8.6 7 8 A E T 3 S+ 0 0 141 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.387 73.2 27.3 -58.2 131.9 -6.6 22.2 10.1 8 9 A G T 3 S+ 0 0 75 24,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.341 98.0 111.9 94.2 -5.5 -8.8 24.2 12.6 9 10 A K < - 0 0 38 -3,-2.2 25,-2.4 23,-0.2 2,-0.6 -0.840 57.9-145.6-101.7 140.2 -11.1 21.3 13.3 10 11 A V E -a 34 0A 10 -2,-0.4 74,-2.7 72,-0.3 75,-2.1 -0.931 19.7-162.6-105.4 120.8 -11.2 19.5 16.7 11 12 A A E -ab 35 85A 0 23,-2.7 25,-3.3 -2,-0.6 2,-0.5 -0.866 12.4-161.2-112.8 128.1 -12.0 15.8 16.3 12 13 A L E -ab 36 86A 1 73,-2.8 75,-3.2 -2,-0.4 2,-0.6 -0.970 11.9-175.1-103.5 118.0 -13.2 13.4 19.0 13 14 A V E -ab 37 87A 0 23,-2.9 25,-2.0 -2,-0.5 3,-0.4 -0.941 13.3-148.4-120.0 109.5 -12.6 9.7 18.1 14 15 A T S S+ 0 0 2 73,-2.2 75,-0.2 -2,-0.6 25,-0.1 -0.500 76.7 16.5 -79.4 144.3 -14.0 7.2 20.5 15 16 A G S S+ 0 0 25 -2,-0.2 3,-0.4 74,-0.2 6,-0.3 0.953 75.1 154.8 64.7 52.6 -12.2 3.9 21.0 16 17 A A + 0 0 0 22,-2.3 23,-0.2 -3,-0.4 -1,-0.1 0.200 33.3 103.4-101.8 17.4 -8.9 4.9 19.5 17 18 A S S S- 0 0 30 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.809 91.4 -16.6 -70.8 -33.6 -6.5 2.6 21.2 18 19 A R S >> S+ 0 0 159 -3,-0.4 4,-1.7 0, 0.0 3,-0.6 -0.914 104.4 16.5-156.6 177.5 -6.0 0.2 18.2 19 20 A G H 3> S- 0 0 31 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.085 119.7 -3.1 55.6-134.9 -7.3 -1.0 14.9 20 21 A I H 3> S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 135.1 51.5 -62.7 -46.6 -9.9 1.1 13.1 21 22 A G H <> S+ 0 0 1 -3,-0.6 4,-2.8 -6,-0.3 -5,-0.2 0.929 111.5 46.8 -60.3 -46.0 -10.2 3.8 15.8 22 23 A K H X S+ 0 0 69 -4,-1.7 4,-2.7 -7,-0.2 5,-0.2 0.925 111.4 51.9 -57.6 -45.9 -6.4 4.3 16.0 23 24 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 110.8 49.0 -60.3 -41.0 -6.2 4.5 12.2 24 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.951 111.2 48.3 -60.1 -52.3 -8.9 7.1 12.2 25 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.905 112.8 48.5 -58.3 -45.1 -7.3 9.2 14.8 26 27 A E H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.881 112.9 46.5 -62.8 -41.1 -3.9 9.1 13.0 27 28 A L H X S+ 0 0 11 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.907 110.1 52.0 -75.6 -38.1 -5.2 10.0 9.6 28 29 A L H <>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 -1,-0.2 0.932 111.9 48.0 -62.1 -41.6 -7.3 12.9 11.0 29 30 A A H ><5S+ 0 0 10 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.905 108.4 54.6 -58.4 -44.9 -4.2 14.2 12.7 30 31 A E H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 106.3 52.2 -59.5 -35.2 -2.3 13.8 9.4 31 32 A R T 3<5S- 0 0 33 -4,-2.0 -25,-3.0 -5,-0.1 -24,-0.5 0.412 130.5 -95.1 -85.1 5.3 -4.9 15.9 7.7 32 33 A G T < 5S+ 0 0 29 -3,-1.7 -24,-0.6 1,-0.3 -3,-0.2 0.358 76.2 139.3 104.5 -1.0 -4.4 18.6 10.3 33 34 A A < - 0 0 2 -5,-2.4 2,-0.7 -26,-0.2 -1,-0.3 -0.395 56.0-124.3 -69.1 146.9 -7.2 18.0 12.9 34 35 A K E -a 10 0A 85 -25,-2.4 -23,-2.7 -28,-0.3 2,-0.5 -0.876 41.9-154.6 -82.8 121.9 -6.5 18.4 16.6 35 36 A V E -ac 11 56A 0 20,-2.3 22,-2.1 -2,-0.7 2,-0.6 -0.854 25.4-169.6-116.3 128.5 -7.5 14.9 17.7 36 37 A I E -ac 12 57A 0 -25,-3.3 -23,-2.9 -2,-0.5 2,-0.3 -0.971 17.1-171.3-108.4 114.6 -8.8 13.6 21.1 37 38 A G E -ac 13 58A 0 20,-1.9 22,-2.2 -2,-0.6 2,-0.3 -0.816 8.7-145.3-103.0 148.6 -8.9 9.9 21.1 38 39 A T E + c 0 59A 2 -25,-2.0 -22,-2.3 -2,-0.3 -21,-0.4 -0.836 18.7 174.9-119.1 152.6 -10.5 7.8 23.9 39 40 A A E - c 0 60A 7 20,-1.6 22,-2.8 -2,-0.3 6,-0.0 -0.893 39.6-116.8-138.8 167.8 -10.0 4.6 25.7 40 41 A T S S+ 0 0 132 -2,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.892 96.7 51.4 -73.0 -38.1 -11.7 2.9 28.7 41 42 A S S > S- 0 0 53 1,-0.1 4,-2.5 19,-0.1 5,-0.2 -0.696 81.3-124.6-107.5 150.9 -8.5 3.0 30.8 42 43 A E H > S+ 0 0 149 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.822 115.0 54.1 -58.9 -32.2 -6.0 5.7 31.7 43 44 A S H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 108.0 49.6 -71.4 -38.8 -3.2 3.6 30.3 44 45 A G H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 110.9 50.7 -56.0 -46.3 -5.1 3.3 27.0 45 46 A A H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 13,-0.2 0.896 108.4 51.4 -61.1 -43.8 -5.5 7.0 27.1 46 47 A Q H X S+ 0 0 107 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.869 106.5 53.8 -62.3 -38.2 -1.8 7.5 27.7 47 48 A A H X S+ 0 0 49 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.881 109.6 49.2 -61.7 -37.0 -1.0 5.3 24.7 48 49 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.947 109.4 50.5 -66.9 -50.1 -3.3 7.5 22.6 49 50 A S H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.906 110.3 53.6 -49.3 -42.4 -1.5 10.7 23.9 50 51 A D H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.1 41.2 -67.2 -38.3 1.8 9.0 23.0 51 52 A Y H < S+ 0 0 51 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.851 118.1 47.0 -82.1 -27.4 1.0 8.2 19.3 52 53 A L H >< S+ 0 0 10 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.837 80.3 166.6 -79.1 -31.7 -0.7 11.6 18.7 53 54 A G G >< S- 0 0 43 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 -0.322 71.4 -1.8 53.7-124.2 2.0 13.7 20.3 54 55 A D G 3 S+ 0 0 152 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.543 126.1 71.1 -74.6 -8.0 1.6 17.4 19.5 55 56 A N G < S- 0 0 83 -3,-2.1 -20,-2.3 -6,-0.1 2,-0.3 0.448 115.4 -54.9 -92.6 1.5 -1.4 16.7 17.3 56 57 A G E < -c 35 0A 13 -3,-1.2 2,-0.3 -22,-0.2 -20,-0.2 -0.994 56.2 -95.7 165.0-149.6 -3.7 15.9 20.2 57 58 A K E -c 36 0A 70 -22,-2.1 -20,-1.9 -2,-0.3 2,-0.4 -0.987 19.0-113.2-161.1 163.0 -4.3 13.8 23.3 58 59 A G E -c 37 0A 9 -2,-0.3 2,-0.3 -13,-0.2 -20,-0.2 -0.849 28.1-174.7-104.4 142.0 -5.9 10.7 24.8 59 60 A M E -c 38 0A 19 -22,-2.2 -20,-1.6 -2,-0.4 2,-0.4 -0.989 28.9-116.7-134.9 144.1 -8.6 10.7 27.4 60 61 A A E +c 39 0A 21 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.639 41.8 174.6 -75.4 131.1 -10.3 8.0 29.4 61 62 A L - 0 0 5 -22,-2.8 2,-0.8 -2,-0.4 -46,-0.1 -0.966 29.5-156.7-143.3 129.5 -14.1 7.9 28.4 62 63 A N > - 0 0 77 -2,-0.3 3,-2.0 3,-0.2 7,-0.3 -0.903 13.3-161.3-102.8 106.6 -16.9 5.5 29.4 63 64 A V T 3 S+ 0 0 13 -2,-0.8 57,-0.2 1,-0.3 56,-0.1 0.524 88.3 54.2 -73.8 -6.7 -19.3 5.9 26.5 64 65 A T T 3 S+ 0 0 44 1,-0.1 -1,-0.3 55,-0.1 48,-0.0 0.294 95.0 82.2-101.0 5.4 -22.2 4.5 28.6 65 66 A N X> - 0 0 58 -3,-2.0 4,-2.0 1,-0.1 3,-0.7 -0.920 61.4-159.4-121.0 109.9 -21.7 7.0 31.5 66 67 A P H 3> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.795 93.5 53.9 -52.6 -39.4 -23.2 10.5 31.3 67 68 A E H 3> S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.880 108.0 49.6 -66.7 -37.9 -20.9 12.0 33.9 68 69 A S H <> S+ 0 0 24 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.913 110.2 50.5 -66.1 -46.0 -17.8 10.8 32.0 69 70 A I H X S+ 0 0 9 -4,-2.0 4,-2.7 -7,-0.3 5,-0.3 0.952 111.3 49.2 -54.3 -51.3 -19.0 12.2 28.7 70 71 A E H X S+ 0 0 139 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 112.4 47.1 -56.6 -46.3 -19.7 15.6 30.4 71 72 A A H X S+ 0 0 62 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.3 48.2 -63.1 -44.9 -16.2 15.7 32.0 72 73 A V H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 112.5 47.6 -65.7 -45.3 -14.4 14.7 28.8 73 74 A L H X S+ 0 0 21 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.897 110.3 53.7 -63.3 -36.8 -16.2 17.3 26.7 74 75 A K H X S+ 0 0 123 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.946 110.0 46.8 -60.0 -46.4 -15.5 19.9 29.3 75 76 A A H X S+ 0 0 42 -4,-2.2 4,-1.8 2,-0.2 5,-0.3 0.846 113.3 49.1 -65.3 -35.2 -11.8 19.2 29.2 76 77 A I H X>S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-1.1 0.957 112.1 46.9 -69.8 -48.7 -11.8 19.2 25.4 77 78 A T H X5S+ 0 0 71 -4,-2.7 4,-0.8 3,-0.2 -2,-0.2 0.911 111.6 52.7 -59.5 -44.0 -13.6 22.6 25.1 78 79 A D H <5S+ 0 0 113 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.918 123.2 25.4 -59.6 -47.4 -11.4 24.2 27.7 79 80 A E H <5S+ 0 0 120 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.839 139.6 16.1 -90.4 -35.8 -8.1 23.2 26.0 80 81 A F H <5S- 0 0 41 -4,-3.3 -3,-0.2 1,-0.3 2,-0.2 0.669 102.1-108.3-112.7 -23.4 -9.0 22.9 22.3 81 82 A G << - 0 0 28 -5,-1.1 -1,-0.3 -4,-0.8 -2,-0.1 -0.424 61.8 -33.2 102.4 175.3 -12.4 24.5 21.7 82 83 A G S S- 0 0 21 -2,-0.2 -72,-0.3 1,-0.1 2,-0.2 -0.235 73.7 -89.9 -73.9 157.8 -15.6 22.7 21.0 83 84 A V + 0 0 10 1,-0.2 -72,-0.2 -74,-0.1 -1,-0.1 -0.444 40.5 175.1 -68.0 128.8 -15.8 19.4 19.0 84 85 A D S S+ 0 0 14 -74,-2.7 51,-2.0 1,-0.3 2,-0.4 0.627 72.6 36.4-101.1 -27.2 -16.2 20.0 15.3 85 86 A I E -bd 11 135A 1 -75,-2.1 -73,-2.8 49,-0.2 2,-0.5 -0.977 65.9-169.7-135.1 117.6 -15.9 16.3 14.2 86 87 A L E -bd 12 136A 0 49,-2.9 51,-3.2 -2,-0.4 2,-0.6 -0.952 0.7-170.2-108.5 127.3 -17.3 13.4 16.3 87 88 A V E -bd 13 137A 0 -75,-3.2 -73,-2.2 -2,-0.5 2,-1.3 -0.959 9.2-157.4-115.2 110.8 -16.3 9.9 15.2 88 89 A N E + d 0 138A 5 49,-2.2 51,-2.6 -2,-0.6 -75,-0.1 -0.730 40.5 138.2 -91.2 90.0 -18.4 7.3 17.1 89 90 A N + 0 0 24 -2,-1.3 -1,-0.2 -75,-0.2 -74,-0.2 0.730 28.2 108.0-106.1 -29.9 -16.1 4.3 16.8 90 91 A A + 0 0 24 -3,-0.3 2,-0.3 -69,-0.1 49,-0.1 -0.260 44.6 142.0 -54.3 126.9 -16.3 2.6 20.3 91 92 A A - 0 0 40 -76,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.971 31.5-155.2-162.9 160.4 -18.3 -0.6 20.1 92 93 A I - 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