==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-13 4BNY . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,Y.LINDQVIST,G.SCHNEIDER . 969 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 75 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 0 0 0 4 0 0 1 7 4 4 0 0 0 0 0 0 0 0 0 0 3 5 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 13 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 1 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 3 1 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 0 A S 0 0 91 0, 0.0 220,-0.5 0, 0.0 221,-0.3 0.000 360.0 360.0 360.0 -62.9 11.3 13.4 66.7 2 1 A M + 0 0 33 218,-0.1 2,-0.1 219,-0.1 217,-0.0 0.334 360.0 136.3 -78.0 10.9 12.3 10.3 64.8 3 2 A S - 0 0 57 1,-0.1 218,-0.3 27,-0.1 27,-0.2 -0.330 40.1-178.9 -80.8 143.5 9.6 8.5 66.7 4 3 A L > + 0 0 1 25,-2.9 3,-2.1 22,-0.2 28,-0.3 0.065 32.6 147.7-114.1 19.6 7.1 6.0 65.3 5 4 A Q T 3 + 0 0 143 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.315 68.5 24.8 -57.6 138.0 5.3 5.4 68.6 6 5 A G T 3 S+ 0 0 80 24,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.379 100.4 112.5 86.1 -3.8 1.6 4.7 67.9 7 6 A K < - 0 0 41 -3,-2.1 25,-2.5 23,-0.2 2,-0.5 -0.821 57.8-143.8-105.6 144.0 2.2 3.4 64.4 8 7 A V E -a 32 0A 17 75,-0.5 78,-1.7 -2,-0.3 77,-1.6 -0.925 19.8-164.4 -98.5 130.1 1.8 -0.1 63.0 9 8 A A E -ab 33 86A 0 23,-3.0 25,-3.1 -2,-0.5 2,-0.5 -0.942 10.0-157.4-116.6 135.9 4.4 -1.1 60.4 10 9 A L E -ab 34 87A 0 76,-2.7 78,-2.9 -2,-0.4 2,-0.5 -0.961 11.5-174.7-108.0 121.0 4.2 -4.1 58.1 11 10 A V E -ab 35 88A 0 23,-2.9 25,-2.2 -2,-0.5 3,-0.5 -0.974 14.0-147.0-119.7 114.5 7.5 -5.3 56.7 12 11 A T S S+ 0 0 2 76,-2.6 78,-0.2 -2,-0.5 25,-0.1 -0.537 79.7 17.9 -82.8 144.4 7.5 -8.1 54.1 13 12 A G S S+ 0 0 21 23,-0.2 3,-0.4 -2,-0.2 6,-0.3 0.934 77.0 152.3 63.2 49.8 10.3 -10.6 54.1 14 13 A A + 0 0 4 22,-2.0 23,-0.1 -3,-0.5 -1,-0.1 0.223 39.8 91.5 -92.3 5.5 11.5 -9.8 57.6 15 14 A S S S+ 0 0 32 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.672 95.7 4.8 -85.2 -9.0 13.0 -13.1 58.6 16 15 A R S >> S- 0 0 134 -3,-0.4 4,-1.6 166,-0.0 3,-0.7 -0.961 103.5 -4.0-159.4 168.8 16.6 -12.3 57.4 17 16 A G H 3> S- 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.036 119.7 -0.8 49.9-127.7 19.0 -9.8 56.0 18 17 A I H 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 133.3 52.9 -68.0 -39.5 17.7 -6.4 55.0 19 18 A G H <> S+ 0 0 0 -3,-0.7 4,-2.4 -6,-0.3 -5,-0.2 0.911 110.3 48.1 -61.5 -42.7 14.0 -7.1 55.9 20 19 A Q H X S+ 0 0 49 -4,-1.6 4,-2.3 -7,-0.3 5,-0.2 0.931 110.6 51.3 -61.1 -46.8 15.0 -8.2 59.4 21 20 A A H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.887 110.0 49.9 -59.5 -40.6 17.1 -5.1 59.9 22 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.930 108.5 52.4 -61.4 -47.0 14.2 -2.9 58.8 23 22 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 112.1 46.3 -55.2 -44.8 11.9 -4.6 61.2 24 23 A L H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.870 111.3 50.8 -70.0 -36.8 14.3 -4.0 64.0 25 24 A E H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.932 110.7 47.7 -67.3 -43.7 14.9 -0.4 63.1 26 25 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 -2,-0.2 0.899 112.9 51.1 -63.4 -33.1 11.2 0.5 62.9 27 26 A G H ><5S+ 0 0 12 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.919 105.3 54.8 -68.0 -39.5 10.8 -1.3 66.3 28 27 A R H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.9 54.6 -59.8 -35.6 13.7 0.7 67.8 29 28 A L T 3<5S- 0 0 16 -4,-1.5 -25,-2.9 -5,-0.1 -24,-0.4 0.427 128.9 -98.5 -79.0 -5.7 11.9 3.9 66.7 30 29 A G T < 5S+ 0 0 18 -3,-2.0 -24,-0.6 1,-0.3 -3,-0.2 0.432 73.8 140.9 104.1 4.9 8.8 2.7 68.6 31 30 A A < - 0 0 4 -5,-2.4 2,-0.6 -26,-0.2 -1,-0.3 -0.444 56.6-119.2 -74.0 154.6 6.6 1.1 65.9 32 31 A V E -a 8 0A 37 -25,-2.5 -23,-3.0 -28,-0.3 2,-0.5 -0.839 40.7-147.4 -83.8 122.5 4.5 -2.0 66.4 33 32 A V E -ac 9 57A 0 23,-2.6 25,-1.9 -2,-0.6 2,-0.6 -0.878 23.2-170.9-111.5 122.7 6.0 -4.3 63.7 34 33 A I E -ac 10 58A 1 -25,-3.1 -23,-2.9 -2,-0.5 2,-0.4 -0.968 19.1-170.8-104.7 108.2 4.3 -7.0 61.7 35 34 A G E -ac 11 59A 0 23,-2.5 25,-2.2 -2,-0.6 2,-0.3 -0.839 6.2-149.0-103.6 142.0 7.0 -8.9 59.9 36 35 A T E + c 0 60A 3 -25,-2.2 -22,-2.0 -2,-0.4 -21,-0.5 -0.866 18.8 173.1-117.1 154.7 6.2 -11.5 57.2 37 36 A A E - c 0 61A 8 23,-2.0 25,-2.4 -2,-0.3 6,-0.0 -0.881 40.0-117.5-143.7 166.1 7.6 -14.6 55.8 38 37 A T S S+ 0 0 120 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.596 95.1 50.4 -84.1 -10.6 6.4 -17.2 53.3 39 38 A S S > S- 0 0 50 21,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.902 80.6-122.4-125.7 155.5 6.4 -20.1 55.8 40 39 A A H > S+ 0 0 74 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.876 115.4 54.5 -60.0 -39.7 5.0 -20.6 59.4 41 40 A S H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 107.9 49.2 -64.8 -41.3 8.4 -21.4 60.6 42 41 A G H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 109.9 53.0 -59.4 -40.8 9.7 -18.0 59.2 43 42 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 109.2 48.1 -63.4 -42.2 6.8 -16.2 60.9 44 43 A E H X S+ 0 0 125 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.915 109.1 52.8 -64.0 -40.9 7.7 -17.8 64.2 45 44 A K H X S+ 0 0 84 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 107.6 52.8 -59.0 -39.8 11.3 -16.9 63.9 46 45 A I H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.938 108.2 50.2 -58.6 -50.5 10.3 -13.3 63.2 47 46 A A H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.911 110.8 48.4 -58.4 -41.4 8.2 -13.3 66.4 48 47 A E H X S+ 0 0 111 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.891 110.8 52.3 -66.7 -36.0 11.1 -14.6 68.4 49 48 A T H X S+ 0 0 24 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.907 109.5 48.9 -64.5 -44.6 13.5 -12.0 66.8 50 49 A L H ><>S+ 0 0 5 -4,-2.6 5,-2.8 1,-0.2 3,-1.0 0.941 111.6 48.5 -60.6 -50.3 11.1 -9.2 67.8 51 50 A K H ><5S+ 0 0 177 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.910 107.5 55.8 -53.0 -47.0 10.8 -10.5 71.3 52 51 A A H 3<5S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.633 113.0 42.6 -63.3 -16.4 14.6 -10.8 71.6 53 52 A N T <<5S- 0 0 89 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.274 115.0-109.6-113.2 11.2 14.9 -7.1 70.7 54 53 A G T < 5 + 0 0 72 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.779 68.1 145.6 69.8 25.9 12.1 -5.7 72.7 55 54 A V < - 0 0 16 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.855 44.1-136.0-100.5 130.4 9.8 -4.9 69.8 56 55 A E + 0 0 133 -2,-0.5 -23,-2.6 -25,-0.3 2,-0.3 -0.589 61.3 67.3 -75.3 142.7 6.1 -5.3 70.0 57 56 A G E -c 33 0A 22 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.996 67.1 -92.3 145.7-148.8 4.3 -7.0 67.1 58 57 A A E -c 34 0A 33 -25,-1.9 -23,-2.5 -2,-0.3 2,-0.4 -0.967 17.3-118.2-162.2 157.4 4.0 -10.4 65.4 59 58 A G E -c 35 0A 22 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.892 36.9-178.4-102.7 142.9 5.3 -12.6 62.6 60 59 A L E -c 36 0A 28 -25,-2.2 -23,-2.0 -2,-0.4 2,-0.5 -0.991 29.7-115.9-142.2 153.7 2.9 -13.6 59.9 61 60 A V E +c 37 0A 66 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.763 41.0 168.0 -88.6 125.9 2.7 -15.7 56.8 62 61 A L - 0 0 6 -25,-2.4 2,-0.6 -2,-0.5 -49,-0.1 -0.996 26.8-163.6-142.0 132.5 2.2 -13.7 53.6 63 62 A D > - 0 0 71 -2,-0.4 3,-2.0 3,-0.2 7,-0.3 -0.942 7.0-165.9-113.1 104.1 2.4 -14.6 49.9 64 63 A V T 3 S+ 0 0 26 -2,-0.6 49,-0.2 1,-0.3 -1,-0.1 0.651 85.1 67.1 -70.3 -12.2 2.5 -11.2 48.0 65 64 A S T 3 S+ 0 0 65 1,-0.1 2,-0.5 47,-0.1 -1,-0.3 0.588 92.6 74.9 -75.6 -9.7 1.8 -13.1 44.8 66 65 A S <> - 0 0 31 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.902 61.2-158.9-117.5 122.5 -1.7 -14.0 46.0 67 66 A D H > S+ 0 0 114 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.884 100.4 51.6 -60.2 -39.3 -4.8 -11.7 46.2 68 67 A E H > S+ 0 0 163 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.932 109.8 47.9 -64.9 -45.8 -6.3 -14.1 48.8 69 68 A S H > S+ 0 0 25 1,-0.2 4,-2.3 -6,-0.2 5,-0.2 0.909 113.2 48.8 -61.2 -44.7 -3.2 -14.2 51.0 70 69 A V H X S+ 0 0 4 -4,-2.4 4,-2.2 -7,-0.3 5,-0.2 0.946 113.5 45.0 -62.3 -47.6 -2.9 -10.4 50.9 71 70 A A H X S+ 0 0 61 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.935 115.4 47.3 -61.9 -43.8 -6.6 -9.8 51.8 72 71 A A H X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.886 111.7 50.6 -67.0 -39.6 -6.6 -12.4 54.6 73 72 A T H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.939 110.9 47.6 -65.9 -46.3 -3.4 -11.1 56.1 74 73 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.891 110.4 52.5 -64.0 -34.9 -4.6 -7.5 56.2 75 74 A E H X S+ 0 0 109 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.961 109.6 49.9 -68.4 -42.7 -7.9 -8.6 57.7 76 75 A H H X S+ 0 0 106 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.919 112.0 46.8 -53.0 -50.3 -6.0 -10.4 60.5 77 76 A I H X>S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 5,-2.2 0.906 111.3 50.9 -63.5 -43.5 -3.8 -7.5 61.2 78 77 A Q H <5S+ 0 0 82 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.918 111.9 48.2 -62.8 -40.3 -6.7 -5.0 61.3 79 78 A Q H <5S+ 0 0 163 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.864 125.9 24.7 -69.2 -34.2 -8.6 -7.2 63.7 80 79 A H H <5S+ 0 0 149 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.733 138.2 11.2-106.3 -31.0 -5.7 -7.8 66.2 81 80 A L T <5S- 0 0 67 -4,-3.0 -3,-0.2 -5,-0.3 2,-0.2 0.626 100.1-106.9-124.2 -25.7 -3.2 -4.9 65.9 82 81 A G < - 0 0 25 -5,-2.2 -1,-0.2 2,-0.0 -2,-0.1 -0.520 54.8 -35.0 117.1 176.9 -4.8 -2.1 63.9 83 82 A Q - 0 0 65 -2,-0.2 2,-0.6 -5,-0.1 -75,-0.5 -0.537 57.1-126.2 -76.1 121.3 -4.3 -0.6 60.4 84 83 A P + 0 0 0 0, 0.0 -75,-0.2 0, 0.0 37,-0.1 -0.602 32.1 173.4 -69.5 119.4 -0.7 -0.7 59.1 85 84 A L + 0 0 29 -77,-1.6 43,-2.1 -2,-0.6 2,-0.4 0.521 68.8 56.8-103.4 -8.7 0.1 2.9 58.1 86 85 A I E +bd 9 128A 0 -78,-1.7 -76,-2.7 41,-0.2 2,-0.5 -0.996 69.1 179.9-117.6 121.5 3.8 2.2 57.4 87 86 A V E -bd 10 129A 0 41,-2.8 43,-2.4 -2,-0.4 2,-0.5 -0.992 11.0-167.7-127.5 125.9 4.4 -0.6 54.8 88 87 A V E -bd 11 130A 0 -78,-2.9 -76,-2.6 -2,-0.5 2,-0.9 -0.958 9.8-154.3-114.1 117.5 7.8 -1.7 53.7 89 88 A N E + d 0 131A 8 41,-2.5 43,-2.7 -2,-0.5 -76,-0.1 -0.794 41.4 135.4 -97.4 104.5 7.8 -4.0 50.6 90 89 A N 0 0 39 -2,-0.9 -1,-0.2 41,-0.2 -77,-0.1 0.620 360.0 360.0-121.6 -19.8 11.0 -6.1 50.7 91 90 A A 0 0 73 -3,-0.2 41,-0.1 -72,-0.0 -79,-0.1 -0.375 360.0 360.0 -72.4 360.0 9.9 -9.6 49.8 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 100 A R 0 0 224 0, 0.0 2,-0.2 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 165.1 22.0 -18.2 37.4 94 101 A M - 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