==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-AUG-12 4GKB . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA MULTIVORANS; . AUTHOR M.W.VETTING,M.E.HOBBS,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA,H. . 1013 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 13.0 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 1 2 2 0 2 6 2 8 0 0 4 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 8 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 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 18 0, 0.0 2,-0.6 0, 0.0 224,-0.1 0.000 360.0 360.0 360.0 115.0 -37.9 17.3 -26.4 2 2 A D - 0 0 81 1,-0.2 28,-0.0 2,-0.1 249,-0.0 -0.648 360.0-168.0 -75.8 115.8 -41.7 17.3 -26.7 3 3 A L - 0 0 0 -2,-0.6 222,-0.3 27,-0.1 -1,-0.2 0.543 28.4-133.9 -82.9 -7.3 -42.9 19.7 -23.9 4 4 A N + 0 0 78 219,-0.1 -2,-0.1 1,-0.1 27,-0.1 0.879 67.2 126.7 56.2 42.1 -46.5 18.5 -24.4 5 5 A L > + 0 0 9 25,-0.3 3,-2.2 218,-0.1 28,-0.2 0.262 26.4 141.3-107.5 8.0 -47.8 22.1 -24.4 6 6 A Q T 3 S- 0 0 68 1,-0.3 26,-0.3 26,-0.1 25,-0.1 -0.319 79.9 -2.7 -60.4 127.7 -49.7 21.9 -27.6 7 7 A D T 3 S+ 0 0 94 24,-2.9 2,-0.4 1,-0.2 -1,-0.3 0.558 94.4 144.3 64.9 12.4 -53.0 23.8 -27.4 8 8 A K < - 0 0 66 -3,-2.2 25,-3.3 19,-0.1 2,-0.6 -0.681 48.2-132.4 -81.2 133.4 -52.4 24.6 -23.8 9 9 A V E +a 33 0A 2 -2,-0.4 76,-3.0 23,-0.2 77,-1.7 -0.764 29.2 178.6 -95.4 119.9 -53.7 28.1 -22.9 10 10 A V E -ab 34 86A 2 23,-2.3 25,-2.7 -2,-0.6 2,-0.4 -0.969 20.9-146.0-129.8 119.6 -51.2 30.3 -21.0 11 11 A I E -ab 35 87A 0 75,-2.3 77,-3.0 -2,-0.5 2,-0.5 -0.683 15.1-167.2 -79.2 131.2 -51.7 33.9 -19.8 12 12 A V E > -ab 36 88A 0 23,-2.5 25,-2.2 -2,-0.4 3,-1.0 -0.967 10.5-147.0-120.3 113.5 -48.5 35.9 -19.9 13 13 A T E 3 S+a 37 0A 0 75,-2.8 25,-0.2 -2,-0.5 23,-0.1 -0.606 89.0 10.8 -83.8 141.3 -48.6 39.3 -18.1 14 14 A G T > S+ 0 0 19 23,-2.6 3,-0.8 -2,-0.3 6,-0.3 0.868 93.0 152.8 58.2 37.3 -46.5 42.0 -19.6 15 15 A G T < + 0 0 0 -3,-1.0 9,-0.2 22,-0.8 10,-0.1 0.212 43.3 73.1 -89.5 16.1 -46.3 39.4 -22.4 16 16 A A T 3 S+ 0 0 15 21,-0.1 27,-0.4 1,-0.1 2,-0.3 0.430 99.9 20.9-113.4 -1.8 -45.7 41.7 -25.4 17 17 A S S X> S+ 0 0 60 -3,-0.8 4,-1.7 25,-0.1 3,-0.7 -0.985 104.9 0.4-156.8 166.2 -42.1 42.8 -24.9 18 18 A G H 3> S- 0 0 17 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.224 126.0 -10.2 57.2-137.9 -38.8 41.9 -23.2 19 19 A I H 3> S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 141.2 51.2 -58.5 -45.9 -38.9 38.7 -21.1 20 20 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.3 -2,-0.2 0.906 108.8 51.0 -60.2 -43.5 -42.6 38.5 -21.3 21 21 A G H X S+ 0 0 5 -4,-1.7 4,-2.6 -7,-0.3 -1,-0.2 0.893 109.5 50.2 -60.9 -40.9 -42.6 38.8 -25.1 22 22 A A H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.876 110.2 50.4 -66.5 -39.0 -40.0 36.1 -25.4 23 23 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 111.4 48.0 -63.2 -45.1 -42.1 33.8 -23.2 24 24 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.933 113.5 48.0 -60.5 -45.1 -45.2 34.4 -25.4 25 25 A M H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.902 111.7 48.8 -63.4 -42.5 -43.2 33.8 -28.5 26 26 A R H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.896 108.8 53.4 -65.8 -41.2 -41.6 30.6 -27.2 27 27 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.936 109.5 49.2 -57.2 -45.7 -45.0 29.3 -26.1 28 28 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.902 108.4 53.3 -60.0 -41.8 -46.3 29.9 -29.6 29 29 A E H 3<5S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.3 51.1 -63.1 -34.5 -43.3 28.0 -31.0 30 30 A E T 3<5S- 0 0 28 -4,-2.0 -25,-0.3 -5,-0.1 -1,-0.3 0.317 122.9-110.5 -84.0 8.0 -44.1 25.1 -28.8 31 31 A R T < 5S+ 0 0 170 -3,-1.7 -24,-2.9 1,-0.2 -3,-0.2 0.598 75.3 134.8 70.0 15.7 -47.7 25.2 -30.2 32 32 A A < - 0 0 0 -5,-2.6 -1,-0.2 -26,-0.3 -23,-0.2 -0.305 61.6-113.8 -74.2 174.6 -49.2 26.4 -26.9 33 33 A I E -a 9 0A 0 -25,-3.3 -23,-2.3 -28,-0.2 2,-0.2 -0.874 29.8-159.4-117.5 96.1 -51.6 29.3 -27.0 34 34 A P E -a 10 0A 0 0, 0.0 24,-1.6 0, 0.0 2,-0.5 -0.562 3.4-160.3 -76.7 139.7 -50.2 32.4 -25.3 35 35 A V E -ac 11 58A 0 -25,-2.7 -23,-2.5 -2,-0.2 2,-0.5 -0.963 14.7-145.8-119.1 108.1 -52.7 35.1 -24.2 36 36 A V E -ac 12 59A 1 22,-2.8 24,-3.1 -2,-0.5 2,-0.6 -0.652 13.2-170.0 -82.7 120.3 -50.9 38.4 -23.7 37 37 A F E +ac 13 60A 0 -25,-2.2 -23,-2.6 -2,-0.5 -22,-0.8 -0.955 29.8 141.7-103.1 115.5 -52.2 40.6 -20.8 38 38 A A E - c 0 61A 11 22,-1.6 24,-2.2 -2,-0.6 25,-0.1 -0.994 57.7-122.3-153.4 155.8 -50.5 44.0 -21.2 39 39 A R S S+ 0 0 122 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.923 97.7 39.9 -60.9 -49.0 -51.3 47.7 -20.7 40 40 A H S S- 0 0 143 21,-0.1 22,-0.1 22,-0.1 -24,-0.1 -0.777 95.2 -99.8-107.8 148.6 -50.3 48.7 -24.3 41 41 A A - 0 0 72 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.345 44.7-113.4 -59.0 141.2 -51.0 46.9 -27.5 42 42 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.243 41.2 -82.0 -67.2 168.9 -48.0 44.9 -28.8 43 43 A D > - 0 0 116 -27,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.276 30.6-123.4 -63.2 152.5 -46.2 45.9 -32.0 44 44 A G H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.872 115.4 55.2 -64.8 -36.0 -47.5 44.7 -35.3 45 45 A A H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 110.1 45.9 -61.9 -42.6 -44.2 43.1 -36.0 46 46 A F H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.935 114.1 47.5 -63.2 -48.7 -44.6 41.1 -32.7 47 47 A L H X S+ 0 0 63 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.871 111.3 51.3 -62.9 -39.2 -48.2 40.2 -33.5 48 48 A D H X S+ 0 0 117 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.930 112.9 45.2 -60.8 -47.0 -47.3 39.1 -37.0 49 49 A A H X S+ 0 0 28 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.871 113.7 50.1 -65.6 -39.0 -44.5 36.9 -35.7 50 50 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.909 111.0 48.4 -65.6 -43.1 -46.8 35.5 -33.0 51 51 A A H < S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.832 104.3 60.3 -67.9 -34.5 -49.6 34.7 -35.4 52 52 A Q H < S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.8 34.2 -58.9 -37.3 -47.1 33.0 -37.8 53 53 A R H < S+ 0 0 91 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.844 139.9 10.4 -86.6 -37.6 -46.3 30.5 -35.0 54 54 A Q >< - 0 0 16 -4,-2.7 3,-1.8 -5,-0.1 -1,-0.2 -0.770 56.8-170.7-149.9 95.3 -49.8 30.4 -33.4 55 55 A P T 3 S+ 0 0 109 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.704 89.4 59.3 -61.1 -19.8 -52.8 32.0 -35.1 56 56 A R T 3 S+ 0 0 123 -5,-0.1 -5,-0.1 2,-0.1 -23,-0.1 0.571 77.4 114.3 -87.1 -9.3 -54.9 31.4 -32.0 57 57 A A < - 0 0 19 -3,-1.8 2,-0.3 -7,-0.2 -22,-0.2 -0.306 49.7-168.3 -61.9 144.8 -52.6 33.5 -29.8 58 58 A T E -c 35 0A 44 -24,-1.6 -22,-2.8 2,-0.0 2,-0.4 -0.882 20.0-143.3-134.9 163.7 -54.4 36.7 -28.5 59 59 A Y E -c 36 0A 47 -2,-0.3 -22,-0.2 -24,-0.2 -18,-0.1 -0.998 11.6-169.4-128.6 135.4 -53.7 40.0 -26.8 60 60 A L E -c 37 0A 18 -24,-3.1 -22,-1.6 -2,-0.4 2,-0.5 -0.993 26.4-124.7-122.6 127.1 -56.0 41.7 -24.3 61 61 A P E +c 38 0A 89 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.586 43.8 170.1 -68.9 118.1 -55.4 45.3 -23.1 62 62 A V - 0 0 2 -24,-2.2 2,-1.0 -2,-0.5 -22,-0.1 -0.987 37.6-151.7-138.8 124.3 -55.2 45.0 -19.3 63 63 A E > - 0 0 48 -2,-0.4 3,-2.2 1,-0.1 7,-0.3 -0.855 19.7-161.1 -87.0 102.8 -54.2 47.5 -16.6 64 64 A L T 3 S+ 0 0 13 -2,-1.0 -1,-0.1 1,-0.3 6,-0.1 0.735 85.4 63.8 -62.8 -22.7 -52.9 44.9 -14.1 65 65 A Q T 3 S+ 0 0 70 1,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.606 87.3 82.5 -77.7 -9.7 -53.2 47.4 -11.3 66 66 A D <> - 0 0 67 -3,-2.2 4,-1.8 1,-0.2 3,-0.5 -0.854 69.2-160.0 -95.8 107.1 -57.0 47.4 -11.9 67 67 A D H > S+ 0 0 31 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.843 90.0 54.3 -55.3 -38.1 -58.4 44.4 -10.1 68 68 A A H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.863 105.1 52.5 -66.6 -38.4 -61.6 44.4 -12.2 69 69 A Q H > S+ 0 0 71 -3,-0.5 4,-2.4 -6,-0.3 -1,-0.2 0.893 109.6 50.4 -64.7 -39.3 -59.6 44.4 -15.4 70 70 A C H X S+ 0 0 0 -4,-1.8 4,-2.2 -7,-0.3 5,-0.2 0.964 112.8 45.8 -58.9 -54.0 -57.7 41.3 -14.2 71 71 A R H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 116.5 44.4 -54.9 -49.1 -61.0 39.6 -13.3 72 72 A D H X S+ 0 0 94 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.839 111.9 52.1 -70.2 -32.7 -62.7 40.4 -16.6 73 73 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.876 110.4 48.1 -73.0 -37.3 -59.7 39.6 -18.7 74 74 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.935 112.1 50.6 -63.6 -44.6 -59.4 36.1 -17.1 75 75 A A H X S+ 0 0 54 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.897 110.0 49.9 -59.0 -42.4 -63.2 35.7 -17.6 76 76 A Q H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.873 108.7 52.6 -65.0 -37.8 -62.8 36.6 -21.3 77 77 A T H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.917 111.2 46.1 -63.5 -43.4 -59.9 34.2 -21.7 78 78 A I H X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 111.9 51.6 -67.4 -38.7 -62.0 31.3 -20.3 79 79 A A H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.886 116.2 41.7 -62.9 -37.6 -65.0 32.4 -22.4 80 80 A T H < S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.886 131.6 19.5 -77.8 -42.6 -62.8 32.3 -25.5 81 81 A F H < S- 0 0 27 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.628 86.9-135.7-108.8 -19.4 -60.7 29.2 -24.9 82 82 A G S < S+ 0 0 60 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.357 78.5 48.5 81.8 -6.4 -62.8 27.2 -22.4 83 83 A R - 0 0 92 -6,-0.3 2,-0.4 48,-0.0 -2,-0.1 -0.977 62.4-146.1-155.4 160.4 -59.7 26.4 -20.3 84 84 A L + 0 0 2 43,-0.4 47,-0.3 -2,-0.3 49,-0.2 -0.971 17.0 170.7-135.6 126.2 -56.6 27.8 -18.7 85 85 A D + 0 0 15 -76,-3.0 49,-1.7 -2,-0.4 2,-0.3 0.621 63.0 14.5-107.4 -18.8 -53.4 25.8 -18.5 86 86 A G E -bd 10 134A 1 -77,-1.7 -75,-2.3 47,-0.2 2,-0.4 -0.998 48.1-157.1-156.7 154.2 -50.8 28.3 -17.3 87 87 A L E -bd 11 135A 0 47,-1.8 49,-2.7 -2,-0.3 2,-0.6 -0.994 7.2-168.6-131.3 127.5 -50.2 31.7 -15.8 88 88 A V E -bd 12 136A 0 -77,-3.0 -75,-2.8 -2,-0.4 2,-0.7 -0.956 8.7-159.5-112.7 107.4 -46.9 33.5 -16.2 89 89 A N E + d 0 137A 0 47,-2.1 49,-3.1 -2,-0.6 28,-0.1 -0.801 39.5 133.5 -82.1 116.4 -46.7 36.5 -13.8 90 90 A N + 0 0 22 -2,-0.7 -76,-0.2 47,-0.2 -1,-0.2 0.585 21.4 114.8-139.5 -26.0 -44.1 38.8 -15.3 91 91 A A + 0 0 16 -54,-0.1 2,-0.3 25,-0.1 -77,-0.1 -0.228 41.8 114.2 -60.7 140.2 -45.2 42.4 -15.5 92 92 A G - 0 0 23 -78,-0.0 2,-0.3 2,-0.0 21,-0.1 -0.963 44.8-136.6 173.8 172.1 -43.2 44.8 -13.4 93 93 A V - 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