==== 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 3TZH . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.HOU,M.CHRUSZCZ,H.ZHENG,D.R.COOPER,T.OSINSKI,I.SHUMILIN, . 1484 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1136 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 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 . 99 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 581 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 7 5 0 0 0 6 0 12 12 0 0 6 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 18 6 6 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 6 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 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 180.0 4.1 14.7 -35.9 2 3 A Q > + 0 0 160 3,-0.0 3,-0.7 4,-0.0 2,-0.4 0.466 360.0 107.7 -82.6 -3.5 7.1 14.2 -33.5 3 4 A F T 3 S- 0 0 7 1,-0.2 224,-0.0 225,-0.1 0, 0.0 -0.641 98.0 -12.5 -80.3 127.3 4.9 15.3 -30.5 4 5 A M T 3 S+ 0 0 2 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.923 93.1 166.4 48.3 51.5 3.8 12.5 -28.1 5 6 A N < - 0 0 23 -3,-0.7 -1,-0.2 1,-0.1 27,-0.2 -0.906 25.9-179.4-107.7 119.5 5.0 10.0 -30.7 6 7 A L > + 0 0 1 25,-3.0 3,-2.3 -2,-0.5 28,-0.3 0.197 31.6 139.1-106.0 13.6 5.4 6.4 -29.5 7 8 A E T 3 S+ 0 0 127 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.336 72.3 28.1 -56.6 135.1 6.6 4.9 -32.8 8 9 A G T 3 S+ 0 0 71 24,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.339 97.8 114.2 90.9 -6.2 9.3 2.5 -32.0 9 10 A K < - 0 0 39 -3,-2.3 25,-2.7 23,-0.2 2,-0.5 -0.801 56.5-146.1-101.3 141.2 8.0 1.7 -28.5 10 11 A V E -a 34 0A 10 -2,-0.4 74,-2.6 72,-0.3 75,-2.3 -0.917 21.0-164.8-102.1 119.4 6.6 -1.7 -27.5 11 12 A A E -ab 35 85A 0 23,-3.0 25,-3.2 -2,-0.5 2,-0.5 -0.925 12.7-162.0-113.3 127.7 3.7 -1.4 -24.9 12 13 A L E -ab 36 86A 1 73,-3.0 75,-3.2 -2,-0.4 2,-0.5 -0.963 11.4-175.3-105.9 118.6 2.2 -4.1 -22.7 13 14 A V E -ab 37 87A 0 23,-2.8 25,-2.1 -2,-0.5 3,-0.4 -0.965 12.2-151.1-118.3 111.3 -1.2 -3.1 -21.3 14 15 A T S S+ 0 0 2 73,-2.4 75,-0.3 -2,-0.5 25,-0.1 -0.567 76.5 20.6 -83.2 145.8 -2.7 -5.6 -18.9 15 16 A G S S+ 0 0 25 -2,-0.2 3,-0.4 23,-0.2 6,-0.3 0.953 75.9 151.7 71.5 49.1 -6.5 -5.9 -18.6 16 17 A A + 0 0 0 22,-2.9 23,-0.2 -3,-0.4 -1,-0.1 0.189 32.1 102.5-104.7 14.1 -7.2 -4.5 -22.0 17 18 A S S S- 0 0 29 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.805 91.5 -16.3 -66.1 -31.7 -10.4 -6.2 -23.0 18 19 A R S >> S+ 0 0 164 -3,-0.4 4,-1.5 30,-0.0 3,-0.7 -0.930 103.6 14.8-159.5 175.8 -12.7 -3.2 -22.2 19 20 A G H 3> S- 0 0 28 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.087 120.5 -0.8 54.0-132.8 -13.2 0.1 -20.6 20 21 A I H 3> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 135.0 51.0 -57.6 -52.1 -10.1 1.9 -19.4 21 22 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 -6,-0.3 -5,-0.2 0.904 112.3 47.3 -56.7 -42.6 -7.6 -0.8 -20.5 22 23 A K H X S+ 0 0 73 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.912 110.9 50.9 -63.0 -47.4 -9.1 -0.9 -24.0 23 24 A A H X S+ 0 0 10 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.907 111.6 49.8 -58.6 -40.9 -9.0 2.9 -24.3 24 25 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.960 111.3 47.3 -61.5 -51.8 -5.4 2.9 -23.2 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 112.7 49.2 -60.7 -41.6 -4.3 0.2 -25.7 26 27 A E H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.885 112.3 47.3 -64.1 -42.0 -6.1 1.9 -28.6 27 28 A L H X S+ 0 0 13 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.908 109.3 52.4 -71.9 -39.6 -4.6 5.3 -27.9 28 29 A L H <>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 -1,-0.2 0.934 111.8 47.6 -59.8 -40.7 -1.1 4.0 -27.5 29 30 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.908 108.4 55.4 -64.1 -44.4 -1.5 2.3 -30.9 30 31 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.5 51.8 -54.2 -39.4 -2.9 5.6 -32.3 31 32 A R T 3<5S- 0 0 32 -4,-2.1 -25,-3.0 -5,-0.1 -24,-0.5 0.328 131.4 -95.4 -82.0 4.1 0.3 7.3 -31.2 32 33 A G T < 5S+ 0 0 29 -3,-1.9 -24,-0.6 1,-0.3 -3,-0.2 0.440 75.4 142.1 101.3 4.7 2.3 4.6 -33.0 33 34 A A < - 0 0 3 -5,-2.5 2,-0.6 -26,-0.2 -1,-0.3 -0.395 55.2-122.9 -69.8 149.5 3.2 2.1 -30.3 34 35 A K E -a 10 0A 79 -25,-2.7 -23,-3.0 -28,-0.3 2,-0.5 -0.908 41.9-154.6 -84.2 121.5 3.2 -1.6 -31.0 35 36 A V E -ac 11 56A 0 20,-2.3 22,-2.0 -2,-0.6 2,-0.6 -0.879 26.2-173.0-117.3 124.5 0.7 -2.8 -28.4 36 37 A I E -ac 12 57A 0 -25,-3.2 -23,-2.8 -2,-0.5 2,-0.4 -0.976 16.8-171.8-106.3 114.6 0.2 -6.1 -26.6 37 38 A G E -ac 13 58A 0 20,-2.1 22,-2.2 -2,-0.6 2,-0.3 -0.844 8.3-147.7-104.7 147.8 -2.9 -6.1 -24.6 38 39 A T E + c 0 59A 2 -25,-2.1 -22,-2.9 -2,-0.4 -21,-0.4 -0.863 17.5 177.0-119.5 154.6 -3.8 -8.9 -22.2 39 40 A A E - c 0 60A 7 20,-1.5 22,-2.7 -2,-0.3 6,-0.1 -0.862 40.5-114.3-137.7 169.7 -7.0 -10.6 -20.9 40 41 A T S S+ 0 0 121 -2,-0.3 2,-0.3 20,-0.2 20,-0.1 0.741 97.6 49.6 -82.0 -20.9 -7.5 -13.6 -18.6 41 42 A S S > S- 0 0 12 1,-0.1 4,-2.3 18,-0.1 -2,-0.1 -0.806 80.9-123.0-119.8 159.2 -9.0 -15.7 -21.4 42 43 A E H > S+ 0 0 88 -2,-0.3 4,-2.4 779,-0.3 5,-0.1 0.848 113.9 54.6 -64.2 -34.6 -8.0 -16.6 -24.9 43 44 A S H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 109.0 48.1 -68.4 -42.5 -11.3 -15.3 -26.3 44 45 A G H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 109.2 53.6 -56.4 -46.8 -10.6 -11.9 -24.6 45 46 A A H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 13,-0.2 0.911 108.6 50.1 -54.7 -46.1 -7.1 -12.1 -26.1 46 47 A Q H X S+ 0 0 110 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.883 106.4 54.2 -62.6 -42.6 -8.7 -12.6 -29.5 47 48 A A H X S+ 0 0 48 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.890 110.6 47.9 -55.9 -42.0 -11.1 -9.6 -29.0 48 49 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 109.9 50.9 -64.4 -47.3 -8.0 -7.5 -28.3 49 50 A S H X S+ 0 0 29 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.908 109.7 54.1 -55.3 -41.0 -6.2 -8.8 -31.4 50 51 A D H < S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 111.7 40.6 -61.1 -47.2 -9.3 -7.9 -33.4 51 52 A Y H < S+ 0 0 47 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.796 117.1 48.7 -79.1 -22.9 -9.4 -4.3 -32.3 52 53 A L H >< S+ 0 0 7 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.745 79.1 168.8 -84.3 -25.5 -5.6 -3.7 -32.5 53 54 A G G >< S- 0 0 44 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 -0.189 72.0 -5.3 50.3-126.6 -5.2 -5.3 -36.0 54 55 A D G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -20,-0.0 -2,-0.1 0.559 126.3 72.7 -73.8 -8.2 -1.8 -4.5 -37.5 55 56 A N G < S- 0 0 84 -3,-2.3 -20,-2.3 -6,-0.1 2,-0.3 0.432 114.8 -53.4 -90.0 2.4 -0.8 -2.3 -34.5 56 57 A G E < -c 35 0A 13 -3,-1.2 2,-0.3 -22,-0.2 -20,-0.2 -0.993 56.2-100.4 163.0-154.6 -0.4 -5.2 -32.1 57 58 A K E -c 36 0A 67 -22,-2.0 -20,-2.1 -2,-0.3 2,-0.3 -0.983 19.6-111.2-160.5 165.2 -2.0 -8.3 -30.6 58 59 A G E -c 37 0A 9 -2,-0.3 2,-0.3 -13,-0.2 -20,-0.2 -0.795 28.2-173.6-102.4 146.2 -3.8 -9.8 -27.6 59 60 A M E -c 38 0A 21 -22,-2.2 -20,-1.5 -2,-0.3 2,-0.3 -0.996 28.1-116.8-137.6 147.2 -2.4 -12.4 -25.2 60 61 A A E +c 39 0A 25 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.611 41.6 176.2 -76.6 131.7 -3.9 -14.4 -22.4 61 62 A L - 0 0 5 -22,-2.7 2,-0.8 -2,-0.3 -46,-0.1 -0.962 29.8-157.1-145.0 128.3 -2.1 -13.5 -19.1 62 63 A N > - 0 0 39 -2,-0.3 3,-1.9 3,-0.2 7,-0.3 -0.915 11.9-164.1-101.8 105.1 -2.6 -14.5 -15.5 63 64 A V T 3 S+ 0 0 12 -2,-0.8 57,-0.1 1,-0.3 -1,-0.1 0.636 87.4 55.5 -70.1 -13.8 -1.0 -11.6 -13.6 64 65 A T T 3 S+ 0 0 5 1,-0.1 -1,-0.3 -3,-0.1 48,-0.0 0.316 95.5 78.7 -93.2 4.5 -0.9 -13.8 -10.4 65 66 A N <> - 0 0 19 -3,-1.9 4,-1.8 1,-0.1 3,-0.3 -0.953 63.4-156.5-124.5 113.1 1.1 -16.7 -12.0 66 67 A P H > S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.792 93.9 54.5 -51.1 -38.1 4.9 -16.4 -12.6 67 68 A E H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.892 106.7 49.5 -71.0 -42.0 4.9 -19.0 -15.4 68 69 A S H > S+ 0 0 22 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.913 110.2 52.0 -58.7 -46.1 2.3 -17.1 -17.4 69 70 A I H X S+ 0 0 8 -4,-1.8 4,-2.7 -7,-0.3 5,-0.2 0.944 111.6 46.6 -55.8 -47.9 4.3 -13.8 -17.0 70 71 A E H X S+ 0 0 147 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.889 113.0 49.1 -65.3 -41.5 7.5 -15.5 -18.3 71 72 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 113.3 46.2 -64.4 -45.1 5.7 -17.1 -21.2 72 73 A V H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.955 113.7 47.7 -65.2 -47.9 4.0 -13.8 -22.3 73 74 A L H X S+ 0 0 22 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.905 111.0 51.8 -60.1 -40.8 7.2 -11.7 -22.0 74 75 A K H X S+ 0 0 129 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.951 110.7 47.9 -59.6 -46.9 9.2 -14.3 -24.0 75 76 A A H X S+ 0 0 43 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.889 114.5 47.0 -61.9 -38.8 6.6 -14.3 -26.8 76 77 A I H X>S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-1.0 0.952 112.6 47.9 -66.8 -49.2 6.6 -10.5 -26.8 77 78 A T H X5S+ 0 0 70 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.920 111.0 52.1 -60.5 -43.3 10.4 -10.2 -26.8 78 79 A D H <5S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 122.6 27.8 -61.6 -40.7 10.7 -12.7 -29.6 79 80 A E H <5S+ 0 0 119 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 137.8 15.6 -91.4 -40.9 8.3 -11.0 -31.9 80 81 A F H <5S- 0 0 44 -4,-3.1 -3,-0.2 1,-0.3 2,-0.2 0.644 102.7-107.0-109.7 -19.4 8.4 -7.3 -31.1 81 82 A G << - 0 0 31 -5,-1.0 -1,-0.3 -4,-1.0 -2,-0.1 -0.432 62.5 -33.5 100.0 171.9 11.5 -6.7 -29.0 82 83 A G S S- 0 0 38 -2,-0.2 -72,-0.3 1,-0.1 2,-0.2 -0.268 75.7 -90.2 -66.5 154.3 11.6 -6.0 -25.2 83 84 A V + 0 0 11 1,-0.2 -72,-0.2 -74,-0.1 3,-0.1 -0.431 39.6 177.3 -66.2 128.9 8.8 -4.0 -23.5 84 85 A D S S+ 0 0 29 -74,-2.6 51,-1.9 1,-0.3 2,-0.4 0.677 72.3 36.4 -99.5 -29.3 9.4 -0.3 -23.4 85 86 A I E -bd 11 135A 1 -75,-2.3 -73,-3.0 49,-0.2 2,-0.5 -0.983 64.7-170.4-132.4 117.8 6.1 0.7 -21.8 86 87 A L E -bd 12 136A 0 49,-2.6 51,-3.0 -2,-0.4 2,-0.6 -0.956 0.7-171.9-108.2 123.7 4.3 -1.3 -19.1 87 88 A V E -bd 13 137A 0 -75,-3.2 -73,-2.4 -2,-0.5 2,-1.1 -0.967 9.9-157.2-113.3 113.4 0.8 -0.2 -18.2 88 89 A N E + d 0 138A 6 49,-2.2 51,-2.8 -2,-0.6 -75,-0.1 -0.770 38.7 140.6 -93.1 94.2 -0.4 -2.1 -15.2 89 90 A N + 0 0 27 -2,-1.1 -1,-0.2 -75,-0.3 -74,-0.1 0.621 30.5 108.8-110.5 -23.4 -4.2 -1.8 -15.6 90 91 A A + 0 0 23 -3,-0.2 2,-0.3 -69,-0.1 49,-0.1 -0.310 42.9 134.9 -58.6 136.3 -5.4 -5.2 -14.5 91 92 A G - 0 0 36 2,-0.0 2,-0.3 -76,-0.0 22,-0.1 -0.875 33.1-154.8 178.8 145.3 -7.1 -5.1 -11.2 92 93 A I - 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