==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAY-10 3N74 . COMPND 2 MOLECULE: 3-KETOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 916 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 14.4 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 0 0 0 0 0 0 12 4 0 0 4 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 8 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 M > 0 0 112 0, 0.0 3,-1.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -9.5 -10.5 10.3 0.6 2 2 A S T 3 + 0 0 53 1,-0.3 27,-0.1 207,-0.0 26,-0.1 0.786 360.0 36.4 -53.8 -33.0 -11.8 9.1 -2.8 3 3 A L T > S+ 0 0 1 25,-1.8 3,-2.0 22,-0.2 -1,-0.3 0.129 82.6 149.9-111.6 18.5 -8.3 8.3 -4.1 4 4 A E T < S+ 0 0 61 -3,-1.8 26,-0.2 1,-0.3 25,-0.1 -0.252 72.7 13.7 -56.6 132.2 -6.8 7.0 -0.8 5 5 A G T 3 S+ 0 0 55 24,-1.1 -1,-0.3 1,-0.3 25,-0.1 0.107 100.4 123.9 88.3 -25.2 -4.1 4.4 -1.4 6 6 A K < - 0 0 59 -3,-2.0 25,-2.8 75,-0.1 2,-0.5 -0.336 50.1-148.6 -74.6 152.5 -3.9 5.3 -5.2 7 7 A V E -a 31 0A 3 23,-0.2 74,-2.9 -3,-0.1 75,-2.1 -0.978 14.9-168.9-119.2 119.6 -0.7 6.3 -7.0 8 8 A A E -ab 32 82A 0 23,-3.1 25,-3.0 -2,-0.5 2,-0.5 -0.922 11.2-157.3-110.0 134.6 -1.0 8.7 -9.9 9 9 A L E -ab 33 83A 0 73,-3.0 75,-2.8 -2,-0.4 2,-0.5 -0.950 17.9-171.7-104.9 124.4 1.7 9.5 -12.4 10 10 A I E > -ab 34 84A 0 23,-2.9 25,-2.9 -2,-0.5 3,-0.5 -0.976 9.6-152.8-126.2 125.0 1.0 12.9 -14.1 11 11 A T E 3 S+a 35 0A 1 73,-2.3 25,-0.2 -2,-0.5 23,-0.0 -0.603 82.0 24.4 -93.5 156.3 3.0 14.3 -17.0 12 12 A G T > S+ 0 0 11 23,-0.7 3,-0.7 -2,-0.2 6,-0.6 0.772 83.0 140.2 61.3 26.8 3.3 18.1 -17.7 13 13 A A T < + 0 0 0 22,-2.2 23,-0.2 -3,-0.5 -1,-0.1 0.365 39.3 86.8 -86.4 2.2 2.7 18.4 -13.9 14 14 A G T 3 S- 0 0 1 21,-0.3 2,-0.3 31,-0.1 -1,-0.2 0.472 102.0 -1.9 -77.1 -2.8 5.2 21.2 -13.2 15 15 A S S X> S+ 0 0 64 -3,-0.7 4,-1.7 30,-0.0 3,-0.9 -0.957 106.3 9.0-170.6 173.3 2.7 24.0 -14.1 16 16 A G H 3> S- 0 0 43 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 0.019 120.6 -3.7 44.6-128.7 -0.8 24.9 -15.2 17 17 A F H 3> S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.803 133.2 55.9 -67.7 -33.3 -3.4 22.1 -15.5 18 18 A G H <> S+ 0 0 0 -3,-0.9 4,-2.3 -6,-0.6 -5,-0.2 0.887 109.6 46.0 -67.2 -39.5 -1.0 19.3 -14.6 19 19 A E H X S+ 0 0 29 -4,-1.7 4,-2.6 -7,-0.3 5,-0.2 0.892 111.3 53.2 -67.5 -44.5 -0.0 21.0 -11.3 20 20 A G H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.924 111.1 46.2 -57.8 -47.3 -3.7 21.6 -10.6 21 21 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.913 111.8 50.0 -62.0 -46.1 -4.5 18.0 -11.1 22 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 111.6 48.5 -61.8 -44.0 -1.6 16.7 -9.0 23 23 A K H X S+ 0 0 62 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.909 114.4 46.7 -63.2 -39.1 -2.4 19.0 -6.1 24 24 A R H X S+ 0 0 59 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.887 111.3 50.3 -71.2 -36.8 -6.1 17.9 -6.3 25 25 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 3,-0.7 0.950 110.9 49.6 -65.5 -46.7 -5.2 14.2 -6.5 26 26 A A H ><5S+ 0 0 20 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.893 106.7 54.7 -59.0 -45.4 -3.0 14.5 -3.5 27 27 A K H 3<5S+ 0 0 161 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.775 104.0 57.9 -56.7 -26.1 -5.7 16.3 -1.5 28 28 A G T <<5S- 0 0 4 -4,-1.1 -25,-1.8 -3,-0.7 -1,-0.3 0.358 130.9 -96.2 -85.7 4.7 -7.9 13.2 -2.4 29 29 A G T < 5S+ 0 0 39 -3,-2.1 -24,-1.1 1,-0.3 -3,-0.2 0.493 79.5 136.8 96.2 7.5 -5.3 11.0 -0.7 30 30 A A < - 0 0 1 -5,-2.0 2,-0.4 -26,-0.2 -1,-0.3 -0.557 55.5-124.7 -86.9 148.6 -3.3 9.9 -3.7 31 31 A K E -a 7 0A 80 -25,-2.8 -23,-3.1 -2,-0.2 2,-0.4 -0.771 35.2-151.6 -79.2 137.7 0.5 9.6 -4.0 32 32 A V E -ac 8 53A 0 20,-2.6 22,-2.3 -2,-0.4 2,-0.7 -0.952 17.1-155.7-123.2 130.9 1.5 11.7 -7.0 33 33 A V E -ac 9 54A 0 -25,-3.0 -23,-2.9 -2,-0.4 2,-1.0 -0.933 18.4-150.8-101.5 116.7 4.5 11.4 -9.3 34 34 A I E -ac 10 55A 0 20,-3.1 22,-2.7 -2,-0.7 2,-0.5 -0.770 17.8-177.0 -94.8 99.2 5.1 14.8 -10.8 35 35 A V E +ac 11 56A 2 -25,-2.9 -22,-2.2 -2,-1.0 -23,-0.7 -0.865 15.5 145.2-103.1 124.4 6.6 14.3 -14.2 36 36 A D E - c 0 57A 21 20,-1.9 22,-2.2 -2,-0.5 6,-0.1 -0.985 54.4-130.4-151.6 151.4 7.7 17.4 -16.2 37 37 A R S S+ 0 0 80 -2,-0.3 2,-0.8 20,-0.2 -1,-0.1 0.806 99.7 76.2 -64.0 -32.3 10.4 18.4 -18.7 38 38 A D > - 0 0 86 1,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.743 67.4-169.0 -84.3 101.8 11.0 21.5 -16.4 39 39 A K H > S+ 0 0 124 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.882 86.7 51.3 -64.6 -41.9 12.9 20.1 -13.4 40 40 A A H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 111.2 50.1 -60.2 -41.2 12.5 23.3 -11.3 41 41 A G H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.957 111.5 46.5 -57.2 -55.9 8.7 23.1 -12.0 42 42 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 115.0 47.6 -55.0 -47.9 8.4 19.4 -11.0 43 43 A E H X S+ 0 0 106 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 111.2 49.8 -64.6 -42.1 10.5 20.0 -7.8 44 44 A R H X S+ 0 0 103 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.955 113.3 45.8 -61.4 -50.1 8.5 23.1 -6.8 45 45 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.965 112.9 50.5 -59.4 -49.9 5.1 21.3 -7.3 46 46 A A H X S+ 0 0 13 -4,-2.8 4,-3.0 1,-0.2 7,-0.3 0.903 111.3 50.0 -50.5 -43.4 6.4 18.3 -5.4 47 47 A G H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.3 48.1 -63.2 -46.4 7.6 20.6 -2.6 48 48 A E H < S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 114.8 45.7 -66.8 -31.6 4.2 22.4 -2.4 49 49 A I H < S- 0 0 37 -4,-2.2 2,-0.3 1,-0.2 3,-0.3 0.925 101.0-162.3 -77.4 -47.4 2.3 19.1 -2.2 50 50 A G >< - 0 0 31 -4,-3.0 3,-2.0 -5,-0.3 -1,-0.2 -0.752 49.3 -0.8 109.3-147.3 4.7 17.6 0.3 51 51 A D T 3 S+ 0 0 140 -2,-0.3 -1,-0.2 1,-0.3 -4,-0.1 0.699 122.2 64.3 -55.7 -26.3 5.5 14.0 1.4 52 52 A A T 3 S+ 0 0 26 -3,-0.3 -20,-2.6 -6,-0.1 2,-0.4 0.493 95.0 79.2 -74.4 -4.2 2.8 12.5 -1.0 53 53 A A E < -c 32 0A 13 -3,-2.0 2,-0.4 -7,-0.3 -20,-0.2 -0.861 55.7-165.0-119.4 140.5 4.8 13.7 -4.1 54 54 A L E -c 33 0A 37 -22,-2.3 -20,-3.1 -2,-0.4 2,-0.4 -0.986 19.6-140.5-118.6 127.6 7.8 12.6 -6.0 55 55 A A E -c 34 0A 33 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.708 21.7-179.6 -89.9 137.1 9.4 15.0 -8.5 56 56 A V E -c 35 0A 17 -22,-2.7 -20,-1.9 -2,-0.4 2,-0.4 -0.927 16.7-153.2-143.3 112.2 10.7 13.5 -11.8 57 57 A A E +c 36 0A 50 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.704 35.6 148.5 -84.8 129.7 12.4 15.4 -14.5 58 58 A A - 0 0 9 -22,-2.2 2,-0.7 -2,-0.4 -2,-0.1 -0.981 50.5-139.2-162.2 146.9 11.8 13.8 -17.9 59 59 A D > - 0 0 70 -2,-0.3 3,-2.5 1,-0.1 6,-0.3 -0.884 24.4-163.7-107.5 95.3 11.4 14.4 -21.7 60 60 A I T 3 S+ 0 0 9 -2,-0.7 57,-0.2 1,-0.3 58,-0.2 0.469 81.3 74.3 -67.8 -4.9 8.6 11.9 -22.4 61 61 A S T 3 S+ 0 0 31 56,-0.1 2,-0.5 53,-0.0 -1,-0.3 0.519 89.0 79.2 -72.4 -6.8 9.3 12.0 -26.1 62 62 A K S <> S- 0 0 30 -3,-2.5 4,-2.0 1,-0.2 5,-0.2 -0.890 74.3-146.9-112.6 128.2 12.3 9.9 -25.2 63 63 A E H > S+ 0 0 73 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.933 100.3 51.3 -55.0 -49.8 12.1 6.1 -24.5 64 64 A A H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 109.1 50.2 -55.7 -43.3 14.9 6.2 -21.9 65 65 A D H > S+ 0 0 58 -6,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.872 110.6 49.7 -65.1 -37.9 13.3 9.1 -20.0 66 66 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 -7,-0.3 5,-0.2 0.980 111.4 48.3 -65.6 -52.9 10.0 7.3 -19.9 67 67 A D H X S+ 0 0 71 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.890 113.6 47.7 -48.1 -50.8 11.7 4.1 -18.6 68 68 A A H X S+ 0 0 60 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.928 112.2 50.1 -58.1 -46.7 13.5 6.1 -16.0 69 69 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.913 113.6 44.9 -56.9 -46.6 10.3 7.9 -15.0 70 70 A V H X S+ 0 0 15 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.933 113.0 49.6 -67.7 -47.4 8.4 4.6 -14.6 71 71 A E H X S+ 0 0 133 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.941 110.9 51.1 -54.8 -47.5 11.2 2.9 -12.7 72 72 A A H X S+ 0 0 35 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.875 111.2 47.5 -59.3 -38.9 11.4 5.9 -10.3 73 73 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.5 0.953 114.4 46.2 -67.5 -48.2 7.7 5.8 -9.6 74 74 A L H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.927 113.2 49.8 -61.3 -41.3 7.7 2.1 -9.0 75 75 A S H < S+ 0 0 96 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.897 117.0 40.3 -66.4 -38.7 10.7 2.3 -6.8 76 76 A K H < S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 132.4 18.8 -76.9 -44.5 9.3 5.1 -4.7 77 77 A F H < S- 0 0 38 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.529 89.2-127.1-111.2 -8.2 5.6 4.0 -4.4 78 78 A G S < S+ 0 0 58 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.1 0.125 81.8 23.3 84.1 -26.0 5.5 0.3 -5.2 79 79 A K - 0 0 47 -6,-0.3 2,-0.4 -73,-0.0 -2,-0.1 -0.987 63.0-132.7-158.6 164.5 2.8 0.7 -7.9 80 80 A V + 0 0 0 -2,-0.3 -72,-0.2 42,-0.1 49,-0.1 -1.000 23.8 165.7-123.6 134.0 1.0 3.0 -10.3 81 81 A D + 0 0 4 -74,-2.9 56,-2.1 -2,-0.4 2,-0.4 0.579 66.9 37.9-112.6 -29.3 -2.8 3.1 -10.4 82 82 A I E -bd 8 137A 2 -75,-2.1 -73,-3.0 54,-0.2 2,-0.5 -0.999 58.3-168.3-137.2 129.4 -3.5 6.2 -12.4 83 83 A L E -bd 9 138A 0 54,-2.5 56,-3.0 -2,-0.4 2,-0.6 -0.993 3.7-167.8-117.6 126.8 -1.7 7.7 -15.4 84 84 A V E -bd 10 139A 0 -75,-2.8 -73,-2.3 -2,-0.5 2,-1.1 -0.952 7.8-158.4-113.1 108.1 -2.6 11.2 -16.5 85 85 A N E + d 0 140A 4 54,-2.4 56,-2.9 -2,-0.6 -75,-0.1 -0.737 40.5 138.1 -80.3 97.9 -1.2 12.0 -19.9 86 86 A N + 0 0 22 -2,-1.1 -1,-0.2 54,-0.2 -74,-0.2 0.642 24.0 110.6-121.2 -21.4 -1.1 15.8 -19.7 87 87 A A + 0 0 21 -3,-0.2 2,-0.3 23,-0.1 54,-0.1 -0.335 41.0 155.0 -63.4 138.9 2.1 17.0 -21.2 88 88 A G - 0 0 39 26,-0.0 2,-0.3 -76,-0.0 19,-0.1 -0.949 25.6-163.2-164.0 143.3 1.6 18.9 -24.5 89 89 A I - 0 0 67 -2,-0.3 2,-0.2 18,-0.3 22,-0.1 -0.941 11.4-169.9-127.4 155.3 3.3 21.5 -26.6 90 90 A G - 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