==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-FEB-10 3LYL . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. . AUTHOR S.M.ANDERSON,Z.WAWRZAK,E.GORDON,J.HASSEMAN,A.EDWARDS, . 977 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 781 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 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 . 84 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.1 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 4 2 0 0 2 0 1 5 7 8 0 0 1 3 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 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 1 A X > 0 0 131 0, 0.0 3,-2.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 41.0 -19.6 -1.8 -69.5 2 2 A S T 3 + 0 0 52 1,-0.3 27,-0.1 3,-0.1 26,-0.1 0.600 360.0 61.6 -59.9 -9.2 -21.0 -4.0 -66.8 3 3 A L T > + 0 0 0 25,-2.0 3,-2.2 22,-0.1 -1,-0.3 0.340 67.6 128.6-104.7 6.3 -23.6 -1.4 -66.3 4 4 A N T < S+ 0 0 75 -3,-2.4 26,-0.2 24,-0.4 3,-0.1 -0.369 82.5 16.3 -53.6 140.1 -25.3 -1.4 -69.7 5 5 A E T 3 S+ 0 0 153 24,-0.6 -1,-0.3 1,-0.3 2,-0.3 0.382 101.7 118.6 74.4 -5.7 -29.0 -1.8 -69.1 6 6 A K < - 0 0 45 -3,-2.2 25,-2.8 23,-0.1 2,-0.5 -0.658 55.3-144.7 -87.9 150.9 -28.7 -0.8 -65.5 7 7 A V E -a 31 0A 21 75,-0.3 77,-2.5 -2,-0.3 78,-2.1 -0.976 16.4-165.4-115.2 123.8 -30.5 2.3 -64.1 8 8 A A E -ab 32 85A 0 23,-2.7 25,-3.2 -2,-0.5 2,-0.5 -0.856 8.9-153.1-110.8 146.3 -28.8 4.3 -61.4 9 9 A L E -ab 33 86A 1 76,-3.4 78,-3.2 -2,-0.3 2,-0.6 -0.974 9.9-174.6-118.1 121.1 -30.2 7.0 -59.1 10 10 A V E -ab 34 87A 0 23,-2.6 25,-1.8 -2,-0.5 3,-0.5 -0.962 15.1-147.6-115.3 114.2 -27.9 9.6 -57.7 11 11 A T S S+ 0 0 2 76,-2.0 78,-0.2 -2,-0.6 25,-0.1 -0.621 83.3 14.5 -78.9 140.8 -29.4 12.0 -55.2 12 12 A G S S+ 0 0 27 -2,-0.3 6,-0.3 23,-0.1 3,-0.3 0.967 77.8 156.9 61.4 57.5 -28.0 15.5 -55.3 13 13 A A + 0 0 0 22,-1.9 23,-0.1 -3,-0.5 -1,-0.1 0.305 35.6 103.7 -99.2 7.0 -26.3 15.1 -58.6 14 14 A S S S- 0 0 37 21,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.915 91.8 -24.7 -54.3 -51.1 -26.2 18.7 -59.6 15 15 A R S >> S+ 0 0 160 -3,-0.3 4,-1.0 4,-0.0 3,-0.8 -0.858 104.4 26.6-152.7-176.0 -22.5 19.2 -58.9 16 16 A G H 3> S- 0 0 30 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 -0.173 122.2 -6.4 54.2-141.1 -19.4 18.1 -57.0 17 17 A I H 3> S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 135.4 56.6 -50.3 -46.9 -19.4 14.4 -55.9 18 18 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 -6,-0.3 -1,-0.2 0.934 109.7 43.5 -55.6 -50.4 -23.0 13.8 -57.1 19 19 A F H X S+ 0 0 23 -4,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.909 113.4 49.5 -64.9 -43.0 -22.3 14.9 -60.6 20 20 A E H X S+ 0 0 44 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.859 110.3 52.7 -66.1 -32.9 -19.0 13.0 -61.0 21 21 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.951 109.7 47.9 -64.3 -48.0 -20.7 9.9 -59.6 22 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 113.8 48.1 -55.4 -47.0 -23.4 10.3 -62.2 23 23 A H H X S+ 0 0 46 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.909 111.4 50.1 -60.7 -45.5 -20.8 10.8 -64.9 24 24 A A H X S+ 0 0 23 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.839 111.1 48.0 -63.3 -38.5 -18.8 7.8 -63.7 25 25 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 3,-1.3 0.938 109.7 51.4 -70.9 -44.3 -21.7 5.4 -63.7 26 26 A A H ><5S+ 0 0 7 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.887 103.2 60.4 -59.2 -37.7 -22.9 6.5 -67.2 27 27 A S H 3<5S+ 0 0 59 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.735 102.8 52.0 -61.9 -23.9 -19.4 5.8 -68.5 28 28 A K T <<5S- 0 0 55 -3,-1.3 -25,-2.0 -4,-0.6 -24,-0.4 0.378 133.4 -94.7 -91.3 2.1 -19.8 2.2 -67.3 29 29 A G T < 5S+ 0 0 5 -3,-2.0 -24,-0.6 1,-0.3 -3,-0.2 0.369 75.5 143.7 109.4 -3.6 -23.1 2.1 -69.3 30 30 A A < - 0 0 0 -5,-1.9 2,-0.6 -26,-0.2 -1,-0.3 -0.373 51.8-126.4 -71.9 144.0 -25.8 3.0 -66.7 31 31 A T E -a 7 0A 32 -25,-2.8 -23,-2.7 -28,-0.3 2,-0.5 -0.806 37.8-144.9 -79.1 122.1 -28.8 5.1 -67.5 32 32 A V E -ac 8 56A 0 23,-2.1 25,-2.2 -2,-0.6 2,-0.6 -0.835 22.4-170.5-109.7 124.9 -28.6 7.8 -64.8 33 33 A V E -ac 9 57A 4 -25,-3.2 -23,-2.6 -2,-0.5 2,-0.3 -0.934 18.1-173.0-101.8 119.0 -31.4 9.6 -62.9 34 34 A G E -ac 10 58A 0 23,-2.7 25,-2.2 -2,-0.6 2,-0.3 -0.858 8.9-144.6-113.0 150.0 -30.1 12.5 -60.9 35 35 A T E + c 0 59A 7 -25,-1.8 -22,-1.9 -2,-0.3 -21,-0.6 -0.868 16.2 176.3-118.0 149.7 -32.0 14.7 -58.5 36 36 A A E - c 0 60A 6 23,-1.9 25,-2.5 -2,-0.3 6,-0.1 -0.947 37.3-123.7-139.0 161.4 -31.9 18.3 -57.5 37 37 A T S S+ 0 0 106 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.600 95.5 54.5 -80.9 -9.6 -34.0 20.5 -55.1 38 38 A S S > S- 0 0 58 21,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.945 77.5-131.8-130.0 145.5 -34.9 22.8 -57.9 39 39 A Q H > S+ 0 0 108 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.786 110.2 53.8 -63.2 -29.8 -36.5 22.4 -61.3 40 40 A A H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.2 44.1 -71.9 -41.7 -33.8 24.6 -62.9 41 41 A S H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.804 110.5 57.3 -71.6 -29.3 -30.9 22.5 -61.4 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.924 111.0 41.8 -65.7 -46.2 -32.7 19.3 -62.4 43 43 A E H X S+ 0 0 100 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.941 110.7 56.4 -64.4 -48.6 -32.8 20.5 -66.0 44 44 A K H X S+ 0 0 118 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.852 109.0 48.6 -52.7 -39.6 -29.2 21.8 -65.9 45 45 A F H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.968 112.5 45.6 -62.9 -55.6 -28.1 18.3 -64.8 46 46 A E H X S+ 0 0 29 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.870 114.6 49.8 -58.6 -39.8 -30.1 16.5 -67.5 47 47 A N H X S+ 0 0 102 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.913 110.7 48.9 -64.8 -44.2 -28.8 18.9 -70.1 48 48 A S H X S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.910 115.7 42.9 -64.9 -44.5 -25.2 18.6 -69.0 49 49 A X H <>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 3,-0.2 0.968 114.3 47.5 -66.3 -57.0 -25.2 14.8 -69.1 50 50 A K H ><5S+ 0 0 112 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.796 109.8 58.1 -55.6 -29.4 -27.2 14.4 -72.4 51 51 A E H 3<5S+ 0 0 151 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.945 101.4 52.2 -63.9 -49.3 -24.7 16.9 -73.7 52 52 A K T 3<5S- 0 0 94 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.313 133.3 -95.1 -71.7 11.0 -21.8 14.7 -72.8 53 53 A G T < 5S+ 0 0 66 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.725 80.1 138.8 86.5 25.1 -23.6 12.0 -74.7 54 54 A F < - 0 0 44 -5,-2.0 2,-1.0 -8,-0.1 -1,-0.2 -0.741 59.1-123.3-109.1 152.1 -25.4 10.3 -71.9 55 55 A K + 0 0 93 -2,-0.3 -23,-2.1 -25,-0.2 2,-0.3 -0.788 57.1 150.2 -83.4 101.5 -28.8 8.8 -71.2 56 56 A A E -c 32 0A 13 -2,-1.0 2,-0.4 -25,-0.2 -23,-0.2 -0.954 34.2-164.1-138.2 156.8 -29.9 10.9 -68.2 57 57 A R E -c 33 0A 81 -25,-2.2 -23,-2.7 -2,-0.3 2,-0.5 -0.994 9.1-156.3-140.1 132.1 -32.9 12.3 -66.5 58 58 A G E +c 34 0A 2 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.943 16.3 177.6-111.6 129.4 -33.0 14.9 -63.8 59 59 A L E -c 35 0A 12 -25,-2.2 -23,-1.9 -2,-0.5 2,-0.4 -0.896 31.1-105.3-128.2 157.2 -36.0 15.2 -61.4 60 60 A V E +c 36 0A 47 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.673 39.9 168.5 -87.2 135.1 -36.8 17.4 -58.4 61 61 A L - 0 0 4 -25,-2.5 2,-1.0 -2,-0.4 -49,-0.1 -0.927 27.8-167.0-147.5 118.0 -36.5 16.0 -54.9 62 62 A N > - 0 0 80 -2,-0.3 3,-2.9 3,-0.2 6,-0.3 -0.808 20.1-168.6 -96.7 89.6 -36.6 17.7 -51.5 63 63 A I T 3 S+ 0 0 14 -2,-1.0 -1,-0.1 1,-0.3 56,-0.1 0.616 78.0 66.9 -64.9 -13.4 -35.3 14.6 -49.7 64 64 A S T 3 S+ 0 0 45 1,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.645 93.8 73.2 -72.8 -14.0 -36.1 16.1 -46.2 65 65 A D X> - 0 0 72 -3,-2.9 4,-1.9 1,-0.1 3,-0.6 -0.894 66.2-159.0-115.5 115.5 -39.8 15.9 -47.2 66 66 A I H 3> S+ 0 0 66 -2,-0.6 4,-2.5 1,-0.3 -1,-0.1 0.824 95.7 56.9 -60.4 -33.2 -41.5 12.5 -47.3 67 67 A E H 3> S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.870 107.0 48.9 -64.5 -37.5 -44.3 13.9 -49.6 68 68 A S H <> S+ 0 0 24 -3,-0.6 4,-2.3 -6,-0.3 -2,-0.2 0.877 110.6 50.2 -67.8 -40.7 -41.6 14.9 -52.1 69 69 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 -7,-0.3 5,-0.2 0.922 110.3 51.3 -61.4 -43.3 -40.0 11.5 -51.9 70 70 A Q H X S+ 0 0 123 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.910 111.7 45.7 -61.8 -44.8 -43.5 10.0 -52.5 71 71 A N H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.856 109.7 55.7 -68.0 -36.7 -44.1 12.2 -55.6 72 72 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.956 109.1 44.6 -60.7 -51.2 -40.6 11.5 -57.0 73 73 A F H X S+ 0 0 22 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.878 109.9 56.7 -66.1 -31.2 -41.0 7.7 -56.9 74 74 A A H X S+ 0 0 54 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.938 108.7 49.3 -56.0 -45.0 -44.5 8.2 -58.4 75 75 A E H X S+ 0 0 70 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.882 109.7 47.0 -66.6 -42.0 -42.7 10.0 -61.2 76 76 A I H <>S+ 0 0 4 -4,-2.2 5,-2.7 2,-0.2 -1,-0.2 0.881 112.5 51.3 -72.4 -33.1 -40.0 7.5 -62.0 77 77 A K H ><5S+ 0 0 172 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.937 107.0 52.4 -64.4 -46.6 -42.6 4.7 -62.0 78 78 A A H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.4 50.7 -54.9 -29.6 -44.8 6.6 -64.4 79 79 A E T 3<5S- 0 0 57 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.329 115.0-112.8 -99.1 6.8 -41.7 6.9 -66.6 80 80 A N T < 5 + 0 0 157 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.742 65.3 146.1 74.0 24.0 -40.7 3.2 -66.6 81 81 A L < - 0 0 37 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.2 -0.837 27.5-171.5-101.2 109.8 -37.5 3.7 -64.6 82 82 A A - 0 0 59 -2,-0.8 2,-0.5 -3,-0.1 -75,-0.3 -0.896 23.1-131.1-100.4 117.9 -36.7 0.8 -62.3 83 83 A I + 0 0 20 -2,-0.6 -75,-0.2 1,-0.2 3,-0.1 -0.563 36.4 162.9 -74.8 117.9 -33.8 1.6 -60.0 84 84 A D S S+ 0 0 2 -77,-2.5 51,-2.1 -2,-0.5 2,-0.4 0.691 72.4 40.4 -97.9 -27.8 -31.0 -1.0 -59.9 85 85 A I E -bd 8 135A 0 -78,-2.1 -76,-3.4 49,-0.2 2,-0.5 -0.969 66.3-171.1-131.6 115.8 -28.4 1.2 -58.4 86 86 A L E -bd 9 136A 0 49,-2.4 51,-3.0 -2,-0.4 2,-0.6 -0.931 1.5-173.6-111.0 122.8 -29.0 3.7 -55.6 87 87 A V E -bd 10 137A 0 -78,-3.2 -76,-2.0 -2,-0.5 2,-1.1 -0.956 12.4-154.9-114.8 111.7 -26.3 6.2 -54.6 88 88 A N E + d 0 138A 5 49,-2.2 51,-2.8 -2,-0.6 -78,-0.1 -0.742 38.0 143.0 -89.4 100.5 -27.3 8.2 -51.5 89 89 A N + 0 0 29 -2,-1.1 -1,-0.2 -78,-0.2 -77,-0.1 0.619 32.4 106.1-114.1 -20.2 -25.3 11.4 -51.9 90 90 A A + 0 0 21 -3,-0.2 2,-0.2 -72,-0.0 49,-0.1 -0.319 43.4 122.1 -62.0 145.5 -27.7 14.1 -50.6 91 91 A G - 0 0 34 2,-0.0 2,-0.3 25,-0.0 22,-0.1 -0.783 36.1-150.6 163.7 154.0 -26.8 15.5 -47.2 92 92 A I - 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