==== 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 3TZC . 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 . 886 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 15.3 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 . 87 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.8 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 3 0 0 1 0 0 8 6 2 0 4 0 2 0 2 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 11 6 3 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 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 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 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.4 -4.0 24.8 1.8 2 3 A Q > + 0 0 186 2,-0.1 3,-0.6 4,-0.0 2,-0.6 0.383 360.0 107.3 -76.9 1.1 -7.6 26.0 2.1 3 4 A F T 3 S- 0 0 11 1,-0.3 3,-0.1 207,-0.0 206,-0.0 -0.762 98.1 -13.7 -90.9 121.8 -8.8 22.6 0.8 4 5 A M T 3 S+ 0 0 5 -2,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.954 91.3 165.8 54.7 51.0 -10.4 20.3 3.4 5 6 A N < + 0 0 38 -3,-0.6 -1,-0.2 1,-0.1 27,-0.2 -0.896 24.1 178.5-105.5 120.5 -9.1 22.5 6.1 6 7 A L > + 0 0 2 25,-3.2 3,-2.2 -2,-0.6 28,-0.3 0.222 29.1 144.6-105.1 14.1 -10.6 22.0 9.6 7 8 A E T 3 S+ 0 0 130 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.264 70.6 20.9 -57.8 130.3 -8.4 24.6 11.3 8 9 A G T 3 S+ 0 0 75 24,-0.8 2,-0.4 1,-0.3 -1,-0.3 0.486 97.4 121.6 88.3 5.0 -10.4 26.3 14.1 9 10 A K < - 0 0 40 -3,-2.2 25,-3.3 23,-0.3 2,-0.6 -0.853 54.6-145.1-105.6 135.4 -13.0 23.5 14.3 10 11 A V E -a 34 0A 10 -2,-0.4 74,-2.7 72,-0.3 75,-2.1 -0.889 20.3-168.0-101.1 117.8 -13.6 21.6 17.5 11 12 A A E -ab 35 85A 0 23,-2.6 25,-2.9 -2,-0.6 2,-0.6 -0.931 12.6-159.2-116.9 124.5 -14.3 18.0 16.9 12 13 A L E -ab 36 86A 0 73,-2.8 75,-2.5 -2,-0.5 2,-0.6 -0.889 11.8-173.7-101.2 116.7 -15.7 15.5 19.4 13 14 A V E > -ab 37 87A 0 23,-2.5 25,-1.7 -2,-0.6 3,-0.5 -0.923 11.0-151.0-113.6 113.3 -15.0 11.9 18.5 14 15 A T T 3 S+ 0 0 0 73,-2.3 75,-0.1 -2,-0.6 25,-0.1 -0.566 78.4 19.5 -84.4 143.8 -16.6 9.2 20.7 15 16 A G T 3 S+ 0 0 28 23,-0.2 3,-0.5 -2,-0.2 6,-0.4 0.898 78.6 151.8 69.4 45.7 -14.9 5.8 21.0 16 17 A A < + 0 0 0 22,-2.1 23,-0.2 -3,-0.5 -1,-0.1 0.207 34.3 97.6 -97.1 12.8 -11.6 7.2 19.9 17 18 A S S S- 0 0 57 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.753 92.4 -7.5 -81.3 -22.4 -9.1 4.9 21.6 18 19 A R S >> S+ 0 0 164 -3,-0.5 4,-1.2 30,-0.0 3,-0.9 -0.965 103.0 4.6-159.3 173.5 -8.5 2.5 18.7 19 20 A G H 3> S+ 0 0 32 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.114 122.0 2.5 53.3-126.2 -9.4 1.3 15.2 20 21 A I H 3> S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 135.3 50.8 -60.3 -46.0 -12.0 3.3 13.3 21 22 A G H <> S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.4 -1,-0.2 0.886 111.7 45.9 -63.8 -42.5 -12.3 5.9 16.1 22 23 A K H X S+ 0 0 52 -4,-1.2 4,-2.3 -7,-0.2 -1,-0.2 0.844 111.3 52.5 -68.0 -37.4 -8.7 6.6 16.5 23 24 A A H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.938 110.8 49.0 -63.4 -42.2 -8.2 6.8 12.7 24 25 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.955 112.7 46.2 -58.8 -53.3 -11.0 9.4 12.6 25 26 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.878 113.3 49.6 -60.1 -41.2 -9.5 11.4 15.4 26 27 A E H X S+ 0 0 59 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.936 112.9 45.8 -64.4 -43.6 -6.0 11.4 13.9 27 28 A L H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 6,-0.2 0.935 110.1 52.8 -69.3 -44.4 -7.1 12.4 10.5 28 29 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 -1,-0.2 0.887 111.7 48.3 -53.5 -40.8 -9.3 15.2 11.8 29 30 A A H ><5S+ 0 0 7 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.929 106.6 55.7 -67.3 -44.2 -6.3 16.4 13.7 30 31 A E H 3<5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.4 52.3 -51.3 -37.0 -4.0 16.2 10.6 31 32 A R T 3<5S- 0 0 34 -4,-1.9 -25,-3.2 -5,-0.1 -24,-0.5 0.338 129.7 -94.3 -90.7 8.2 -6.5 18.5 8.8 32 33 A G T < 5S+ 0 0 26 -3,-2.0 -24,-0.8 1,-0.3 -23,-0.3 0.375 74.6 142.6 103.5 -0.4 -6.3 21.1 11.6 33 34 A A < - 0 0 2 -5,-2.6 2,-0.8 -6,-0.2 -1,-0.3 -0.391 55.3-124.5 -72.7 148.9 -9.3 20.2 13.8 34 35 A K E -a 10 0A 79 -25,-3.3 -23,-2.6 -28,-0.3 2,-0.5 -0.876 42.3-154.3 -86.5 109.9 -8.9 20.6 17.6 35 36 A V E -ac 11 56A 0 20,-2.3 22,-2.1 -2,-0.8 2,-0.6 -0.789 25.4-174.7-104.2 126.0 -9.9 17.0 18.5 36 37 A I E -ac 12 57A 0 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.2 -0.950 15.3-174.9-110.6 111.7 -11.4 15.6 21.7 37 38 A G E -ac 13 58A 0 20,-1.7 22,-2.1 -2,-0.6 2,-0.3 -0.679 9.7-144.6 -98.2 158.1 -11.7 11.9 21.7 38 39 A T E + c 0 59A 3 -25,-1.7 -22,-2.1 -2,-0.2 -21,-0.4 -0.914 18.4 175.5-127.4 149.8 -13.3 9.8 24.3 39 40 A A E - c 0 60A 9 20,-1.3 22,-2.4 -2,-0.3 6,-0.1 -0.864 42.0-111.2-134.6 172.7 -12.9 6.4 26.0 40 41 A T S S+ 0 0 128 -2,-0.3 2,-0.2 20,-0.2 20,-0.1 0.780 97.8 46.0 -76.9 -27.2 -14.8 4.7 29.0 41 42 A S S > S- 0 0 54 18,-0.1 4,-2.2 1,-0.1 -2,-0.2 -0.680 82.9-117.7-115.0 169.1 -11.7 5.0 31.3 42 43 A E H > S+ 0 0 148 2,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.765 117.2 54.1 -74.6 -28.3 -9.2 7.6 32.3 43 44 A S H > S+ 0 0 93 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.726 108.1 51.2 -75.5 -25.7 -6.3 5.5 31.0 44 45 A G H > S+ 0 0 11 2,-0.2 4,-2.0 3,-0.1 3,-0.3 0.962 111.9 46.5 -66.3 -55.7 -8.3 5.4 27.7 45 46 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 13,-0.3 0.881 111.6 51.5 -51.5 -45.7 -8.5 9.2 27.8 46 47 A Q H X S+ 0 0 104 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.861 108.2 50.8 -64.8 -38.1 -4.8 9.5 28.7 47 48 A A H X S+ 0 0 47 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.840 109.7 50.6 -67.4 -37.4 -3.8 7.3 25.7 48 49 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.3 0.897 109.3 51.9 -64.5 -38.9 -5.9 9.5 23.4 49 50 A S H X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 107.3 54.4 -62.3 -41.3 -4.2 12.5 24.9 50 51 A D H < S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.3 39.5 -57.9 -47.9 -0.8 10.9 24.1 51 52 A Y H < S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 117.8 48.6 -84.2 -20.9 -1.5 10.3 20.4 52 53 A L H >< S+ 0 0 5 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.830 81.6 168.1 -80.6 -37.9 -3.3 13.7 19.8 53 54 A G G >< S- 0 0 41 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 -0.346 70.0 -5.7 63.7-131.5 -0.6 15.8 21.6 54 55 A D G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.638 127.4 72.1 -69.5 -16.8 -1.0 19.5 21.0 55 56 A N G < S- 0 0 55 -3,-1.9 -20,-2.3 -21,-0.1 2,-0.3 0.497 115.1 -52.6 -81.8 -2.7 -3.8 18.9 18.5 56 57 A G E < -c 35 0A 12 -3,-1.2 2,-0.3 -22,-0.2 -20,-0.2 -0.985 55.1-102.8 169.6-157.1 -6.3 17.8 21.2 57 58 A K E -c 36 0A 64 -22,-2.1 -20,-1.7 -2,-0.3 2,-0.3 -0.984 18.1-113.4-156.3 170.4 -7.1 15.6 24.2 58 59 A G E -c 37 0A 7 -13,-0.3 2,-0.3 -2,-0.3 -20,-0.2 -0.821 27.0-174.3-104.1 146.4 -8.9 12.6 25.5 59 60 A M E -c 38 0A 19 -22,-2.1 -20,-1.3 -2,-0.3 2,-0.4 -0.983 29.2-111.9-135.7 151.5 -11.7 12.7 28.0 60 61 A A E +c 39 0A 30 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.667 44.0 169.3 -77.7 134.7 -13.6 9.9 29.9 61 62 A L - 0 0 6 -22,-2.4 2,-0.6 -2,-0.4 -46,-0.1 -0.981 30.4-158.3-149.9 131.6 -17.2 9.7 28.7 62 63 A N > - 0 0 73 -2,-0.3 3,-1.7 3,-0.2 7,-0.4 -0.962 12.7-160.2-105.5 110.1 -20.0 7.2 29.3 63 64 A V T 3 S+ 0 0 10 -2,-0.6 -1,-0.1 1,-0.3 53,-0.1 0.761 87.8 60.1 -66.5 -22.3 -22.4 7.7 26.3 64 65 A T T 3 S+ 0 0 38 1,-0.1 -1,-0.3 -3,-0.1 45,-0.1 0.533 93.4 78.4 -78.8 -5.2 -25.3 6.0 28.2 65 66 A N <> - 0 0 57 -3,-1.7 4,-2.2 1,-0.1 3,-0.4 -0.897 61.6-159.9-117.6 109.4 -25.2 8.6 31.1 66 67 A P H > S+ 0 0 60 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.715 94.8 56.2 -56.9 -23.1 -26.7 12.1 30.7 67 68 A E H > S+ 0 0 131 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.907 107.3 46.6 -75.2 -44.3 -24.5 13.4 33.6 68 69 A S H > S+ 0 0 28 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.933 112.8 50.9 -62.0 -45.1 -21.3 12.3 32.0 69 70 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 -7,-0.4 -1,-0.2 0.893 110.5 48.1 -57.2 -45.9 -22.4 13.9 28.7 70 71 A E H X S+ 0 0 148 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.871 115.3 45.6 -67.2 -36.0 -23.3 17.2 30.3 71 72 A A H X S+ 0 0 61 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.939 111.1 50.7 -72.1 -49.2 -20.0 17.3 32.2 72 73 A V H X S+ 0 0 12 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.925 112.5 47.8 -56.4 -42.2 -17.8 16.4 29.2 73 74 A L H X S+ 0 0 22 -4,-2.1 4,-3.6 -5,-0.2 -1,-0.2 0.883 109.9 51.4 -68.7 -38.8 -19.4 19.1 27.0 74 75 A K H X S+ 0 0 131 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.967 111.1 49.0 -59.0 -51.3 -19.0 21.8 29.7 75 76 A A H X S+ 0 0 38 -4,-2.7 4,-1.6 1,-0.2 5,-0.2 0.907 114.6 45.3 -54.6 -43.7 -15.4 20.9 30.0 76 77 A I H X>S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 5,-1.2 0.965 113.4 48.9 -66.1 -50.9 -15.0 21.0 26.2 77 78 A T H X5S+ 0 0 71 -4,-3.6 4,-0.6 1,-0.2 -2,-0.2 0.926 111.4 49.8 -56.5 -46.3 -17.0 24.3 25.9 78 79 A D H <5S+ 0 0 112 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.877 122.6 30.1 -57.8 -43.5 -14.9 26.0 28.6 79 80 A E H <5S+ 0 0 114 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.822 137.9 13.4 -91.5 -34.9 -11.5 25.1 27.2 80 81 A F H <5S- 0 0 50 -4,-3.1 2,-0.2 1,-0.3 -3,-0.2 0.733 100.4-109.4-116.4 -30.8 -12.0 24.9 23.5 81 82 A G << - 0 0 27 -5,-1.2 -1,-0.3 -4,-0.6 -2,-0.1 -0.648 60.7 -28.0 117.7 177.5 -15.4 26.4 22.5 82 83 A G S S- 0 0 39 -2,-0.2 -72,-0.3 1,-0.1 2,-0.3 -0.327 74.3 -97.8 -61.2 149.4 -18.6 24.9 21.3 83 84 A V + 0 0 10 1,-0.2 -72,-0.2 -74,-0.1 3,-0.1 -0.524 38.8 176.7 -68.6 130.5 -18.4 21.6 19.3 84 85 A D S S+ 0 0 21 -74,-2.7 48,-1.9 1,-0.3 2,-0.5 0.658 70.1 37.4-102.4 -32.4 -18.5 22.1 15.6 85 86 A I E -bd 11 132A 0 -75,-2.1 -73,-2.8 46,-0.2 2,-0.5 -0.986 63.8-172.7-129.1 126.7 -18.0 18.5 14.5 86 87 A L E -bd 12 133A 0 46,-2.7 48,-3.0 -2,-0.5 2,-0.7 -0.973 4.1-170.3-120.0 123.4 -19.5 15.5 16.2 87 88 A V E -bd 13 134A 0 -75,-2.5 -73,-2.3 -2,-0.5 2,-1.1 -0.930 10.3-157.7-109.9 105.0 -18.5 11.9 15.2 88 89 A N E + d 0 135A 3 46,-1.7 48,-2.5 -2,-0.7 -75,-0.1 -0.762 40.5 137.5 -80.8 101.3 -20.8 9.4 17.0 89 90 A N + 0 0 27 -2,-1.1 -1,-0.2 46,-0.2 -74,-0.1 0.524 23.9 120.0-123.8 -16.8 -18.7 6.3 16.8 90 91 A A + 0 0 15 -3,-0.3 2,-0.2 -69,-0.1 24,-0.1 -0.231 34.3 141.0 -52.3 136.4 -19.1 4.8 20.3 91 92 A G - 0 0 32 46,-0.0 2,-0.9 2,-0.0 19,-0.1 -0.772 49.5-131.4-178.2 135.3 -20.6 1.3 20.1 92 93 A I - 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