==== 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 4BNZ . 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 . 976 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 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 . 80 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 39.3 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 2 0 0 0 2 2 0 4 4 4 4 0 0 0 0 0 0 0 0 1 1 2 1 3 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 12 5 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 -1 A Q 0 0 132 0, 0.0 29,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.8 -12.1 11.8 -68.9 2 0 A S + 0 0 44 3,-0.0 221,-0.8 0, 0.0 222,-0.4 0.153 360.0 71.7-112.0 -6.4 -10.3 13.3 -65.8 3 1 A M S S+ 0 0 10 219,-0.1 2,-0.1 220,-0.1 218,-0.1 0.343 80.2 128.4 -69.6 1.7 -11.6 10.1 -64.1 4 2 A S - 0 0 48 1,-0.1 219,-0.2 27,-0.1 27,-0.2 -0.366 41.7-178.4 -82.0 136.6 -8.9 8.4 -66.2 5 3 A L > + 0 0 3 25,-3.0 3,-2.1 22,-0.2 28,-0.2 -0.031 28.0 154.9-113.8 28.9 -6.3 6.0 -64.9 6 4 A Q T 3 + 0 0 145 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.321 68.3 21.6 -61.8 132.1 -4.6 5.4 -68.2 7 5 A G T 3 S+ 0 0 75 24,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.499 99.7 115.7 89.4 2.6 -1.0 4.4 -67.6 8 6 A K < - 0 0 51 -3,-2.1 25,-3.3 23,-0.3 2,-0.6 -0.881 56.5-141.4-111.5 147.1 -1.5 3.2 -64.1 9 7 A V E -a 33 0A 17 75,-0.5 77,-1.9 -2,-0.4 78,-1.5 -0.864 20.2-167.3 -99.3 126.9 -1.1 -0.2 -62.6 10 8 A A E -ab 34 87A 0 23,-3.1 25,-3.0 -2,-0.6 2,-0.5 -0.935 9.8-155.2-117.1 138.8 -3.6 -1.1 -59.9 11 9 A L E -ab 35 88A 1 76,-3.2 78,-2.7 -2,-0.4 2,-0.5 -0.949 12.9-176.8-110.8 124.7 -3.5 -4.1 -57.6 12 10 A V E -ab 36 89A 0 23,-2.8 25,-1.7 -2,-0.5 3,-0.5 -0.965 12.4-151.1-126.9 111.2 -6.8 -5.3 -56.3 13 11 A T E S+a 37 0A 2 76,-2.2 25,-0.1 -2,-0.5 11,-0.1 -0.545 78.0 24.3 -79.8 154.0 -6.8 -8.1 -53.8 14 12 A G S S+ 0 0 21 23,-0.6 3,-0.5 -2,-0.2 6,-0.3 0.894 78.1 151.4 63.5 43.1 -9.7 -10.6 -53.5 15 13 A A + 0 0 4 22,-2.1 23,-0.1 -3,-0.5 -1,-0.1 0.318 39.9 86.4 -91.8 6.3 -10.7 -9.9 -57.1 16 14 A S S S+ 0 0 35 21,-0.4 2,-0.3 5,-0.0 -1,-0.2 0.737 95.8 14.3 -84.8 -22.5 -12.3 -13.2 -58.1 17 15 A R S >> S- 0 0 139 -3,-0.5 4,-2.0 167,-0.0 3,-0.6 -0.901 104.3 -15.4-144.5 167.0 -15.9 -12.5 -56.9 18 16 A G H 3> S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.069 120.2 3.3 45.6-127.4 -18.4 -9.8 -55.7 19 17 A I H 3> S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.903 132.5 52.2 -62.6 -46.0 -17.0 -6.4 -54.6 20 18 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.3 -1,-0.2 0.898 110.8 48.2 -57.1 -44.6 -13.4 -7.2 -55.5 21 19 A Q H X S+ 0 0 46 -4,-2.0 4,-2.6 -7,-0.3 5,-0.2 0.952 111.3 49.6 -59.4 -51.5 -14.4 -8.3 -59.0 22 20 A A H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 109.8 51.8 -61.3 -38.4 -16.5 -5.2 -59.5 23 21 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.945 109.3 50.7 -59.8 -43.0 -13.6 -3.0 -58.3 24 22 A A H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.926 112.8 45.2 -61.4 -47.6 -11.2 -4.7 -60.7 25 23 A L H X S+ 0 0 43 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.873 112.1 51.9 -63.9 -37.8 -13.6 -4.1 -63.7 26 24 A E H X S+ 0 0 9 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.933 110.9 46.3 -70.1 -41.0 -14.3 -0.5 -62.7 27 25 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 -1,-0.2 0.857 114.3 50.9 -67.0 -32.0 -10.6 0.4 -62.5 28 26 A G H ><5S+ 0 0 9 -4,-1.8 3,-2.7 -5,-0.3 -2,-0.2 0.966 105.6 53.2 -64.4 -52.6 -10.2 -1.4 -65.8 29 27 A R H 3<5S+ 0 0 123 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.874 106.7 55.0 -49.4 -38.9 -13.1 0.6 -67.3 30 28 A L T 3<5S- 0 0 17 -4,-1.8 -25,-3.0 -5,-0.2 -24,-0.3 0.452 126.1-100.4 -78.2 -4.9 -11.2 3.7 -66.2 31 29 A G T < 5S+ 0 0 19 -3,-2.7 -24,-0.7 1,-0.3 -23,-0.3 0.490 73.5 138.3 107.1 1.4 -8.0 2.6 -68.1 32 30 A A < - 0 0 5 -5,-2.3 2,-0.6 -26,-0.2 -1,-0.3 -0.445 58.4-117.7 -73.4 154.8 -5.8 1.2 -65.4 33 31 A V E -a 9 0A 29 -25,-3.3 -23,-3.1 -28,-0.2 2,-0.5 -0.877 41.8-147.3 -87.5 123.7 -3.8 -2.0 -65.9 34 32 A V E -ac 10 58A 0 23,-2.5 25,-1.9 -2,-0.6 2,-0.6 -0.841 25.2-172.3-113.1 124.8 -5.3 -4.3 -63.3 35 33 A I E -ac 11 59A 5 -25,-3.0 -23,-2.8 -2,-0.5 2,-0.3 -0.949 17.2-172.4-105.1 111.4 -3.7 -7.1 -61.3 36 34 A G E -ac 12 60A 0 23,-2.6 25,-2.2 -2,-0.6 2,-0.3 -0.792 6.8-155.1-102.8 147.8 -6.4 -9.0 -59.4 37 35 A T E +ac 13 61A 2 -25,-1.7 -22,-2.1 -2,-0.3 -23,-0.6 -0.910 16.9 174.9-128.0 154.4 -5.5 -11.6 -56.8 38 36 A A E - c 0 62A 9 23,-1.8 25,-2.7 -2,-0.3 6,-0.0 -0.876 41.3-111.5-142.6 173.8 -7.0 -14.7 -55.2 39 37 A T S S+ 0 0 116 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.607 96.1 50.1 -89.4 -10.4 -5.7 -17.3 -52.8 40 38 A S S > S- 0 0 51 21,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.904 80.6-120.3-127.9 159.0 -5.7 -20.1 -55.3 41 39 A A H > S+ 0 0 73 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.852 113.2 53.9 -58.1 -42.0 -4.5 -20.7 -58.9 42 40 A S H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 109.5 49.0 -66.8 -36.9 -8.0 -21.4 -60.3 43 41 A G H > S+ 0 0 11 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.896 109.6 51.4 -64.6 -44.1 -9.2 -18.0 -58.9 44 42 A A H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.925 111.8 47.8 -57.1 -45.5 -6.2 -16.3 -60.4 45 43 A E H X S+ 0 0 143 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.945 110.0 51.2 -61.7 -46.7 -7.0 -17.9 -63.7 46 44 A K H X S+ 0 0 74 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.880 107.7 54.2 -56.9 -41.8 -10.7 -16.9 -63.4 47 45 A I H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.943 108.0 49.3 -54.9 -49.9 -9.7 -13.3 -62.7 48 46 A A H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.902 112.4 47.2 -60.8 -41.4 -7.6 -13.2 -65.9 49 47 A E H X S+ 0 0 126 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.910 111.4 51.2 -65.1 -44.5 -10.5 -14.6 -68.0 50 48 A T H X S+ 0 0 18 -4,-2.7 4,-0.6 -5,-0.2 -2,-0.2 0.919 111.2 48.6 -58.7 -44.0 -12.9 -12.1 -66.4 51 49 A L H ><>S+ 0 0 5 -4,-2.9 5,-2.7 2,-0.2 3,-1.0 0.923 112.2 48.0 -62.9 -46.6 -10.5 -9.3 -67.2 52 50 A K H ><5S+ 0 0 171 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.924 107.0 57.0 -57.8 -47.0 -10.1 -10.5 -70.9 53 51 A A H 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.579 111.9 42.2 -66.3 -11.6 -13.9 -10.9 -71.2 54 52 A N T <<5S- 0 0 94 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.125 116.9-110.4-118.2 19.3 -14.3 -7.2 -70.3 55 53 A G T < 5 + 0 0 72 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.843 67.5 145.0 59.2 41.2 -11.4 -5.9 -72.4 56 54 A V < - 0 0 16 -5,-2.7 2,-0.2 -6,-0.1 -1,-0.2 -0.933 45.2-133.3-112.2 128.4 -9.2 -4.9 -69.4 57 55 A E + 0 0 138 -2,-0.5 -23,-2.5 -25,-0.3 2,-0.3 -0.557 62.3 69.3 -73.6 141.9 -5.4 -5.3 -69.6 58 56 A G E -c 34 0A 25 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.2 -0.996 65.0 -96.7 149.1-155.5 -3.8 -7.0 -66.6 59 57 A A E -c 35 0A 45 -25,-1.9 -23,-2.6 -2,-0.3 2,-0.4 -0.969 13.1-120.8-153.2 168.6 -3.5 -10.3 -64.9 60 58 A G E +c 36 0A 21 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.987 35.4 174.8-115.6 131.1 -4.6 -12.6 -62.1 61 59 A L E -c 37 0A 33 -25,-2.2 -23,-1.8 -2,-0.4 2,-0.5 -0.871 33.2-106.5-132.5 166.4 -2.0 -13.7 -59.5 62 60 A V E +c 38 0A 66 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.809 42.5 167.7 -96.1 129.0 -2.0 -15.8 -56.3 63 61 A L - 0 0 6 -25,-2.7 2,-0.6 -2,-0.5 -49,-0.2 -0.986 26.4-164.7-147.2 128.4 -1.6 -13.8 -53.2 64 62 A D > - 0 0 70 -2,-0.4 3,-1.8 3,-0.2 7,-0.3 -0.954 9.3-165.2-110.8 105.1 -2.0 -14.7 -49.6 65 63 A V T 3 S+ 0 0 18 -2,-0.6 50,-0.2 1,-0.3 49,-0.1 0.650 84.3 66.8 -71.8 -12.7 -2.1 -11.4 -47.7 66 64 A S T 3 S+ 0 0 68 1,-0.1 2,-0.5 48,-0.1 -1,-0.3 0.549 92.2 76.8 -77.2 -7.3 -1.5 -13.1 -44.4 67 65 A S <> - 0 0 36 -3,-1.8 4,-2.4 1,-0.1 -3,-0.2 -0.914 62.1-158.9-116.8 118.6 2.0 -14.1 -45.5 68 66 A D H > S+ 0 0 109 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.844 99.6 50.4 -52.5 -40.9 5.1 -11.9 -45.6 69 67 A E H > S+ 0 0 167 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.942 109.6 48.9 -68.1 -46.3 6.7 -14.2 -48.2 70 68 A S H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 113.4 48.4 -57.5 -44.7 3.7 -14.3 -50.4 71 69 A V H X S+ 0 0 5 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.931 112.1 46.3 -64.7 -49.4 3.5 -10.5 -50.4 72 70 A A H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 116.4 45.6 -58.7 -43.9 7.2 -9.9 -51.1 73 71 A A H X S+ 0 0 45 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 112.5 49.0 -69.8 -44.3 7.2 -12.4 -54.0 74 72 A T H X S+ 0 0 13 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.946 112.2 49.2 -61.1 -46.0 4.0 -11.3 -55.6 75 73 A L H X S+ 0 0 9 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.939 110.9 49.7 -59.1 -45.3 5.1 -7.7 -55.5 76 74 A E H X S+ 0 0 114 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.933 110.6 50.8 -60.9 -42.7 8.5 -8.6 -57.0 77 75 A H H X S+ 0 0 128 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.924 111.9 47.3 -57.9 -46.5 6.7 -10.6 -59.8 78 76 A I H X>S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 5,-2.1 0.912 112.2 50.3 -62.3 -43.3 4.5 -7.6 -60.5 79 77 A Q H <5S+ 0 0 81 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.922 112.9 46.5 -60.8 -45.4 7.5 -5.3 -60.5 80 78 A Q H <5S+ 0 0 161 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.898 121.9 32.8 -61.8 -45.5 9.4 -7.5 -63.0 81 79 A H H <5S- 0 0 161 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.691 138.0 -1.6 -95.6 -23.1 6.6 -8.1 -65.4 82 80 A L T <5S- 0 0 76 -4,-2.3 -3,-0.2 -5,-0.2 2,-0.2 0.599 97.0 -98.7-144.5 -21.9 4.6 -4.9 -65.4 83 81 A G < - 0 0 24 -5,-2.1 -1,-0.2 2,-0.0 -2,-0.1 -0.606 56.1 -32.1 127.1-179.6 5.7 -2.1 -63.1 84 82 A Q - 0 0 66 -2,-0.2 2,-0.5 -5,-0.1 -75,-0.5 -0.552 55.5-127.6 -77.2 124.7 5.0 -0.6 -59.7 85 83 A P + 0 0 1 0, 0.0 -75,-0.2 0, 0.0 38,-0.1 -0.656 29.7 176.1 -73.0 119.3 1.4 -0.8 -58.5 86 84 A L + 0 0 29 -77,-1.9 44,-2.1 -2,-0.5 2,-0.4 0.447 68.9 57.0-104.6 -5.6 0.5 2.8 -57.6 87 85 A I E +bd 10 130A 0 -78,-1.5 -76,-3.2 42,-0.2 2,-0.5 -0.991 68.2 177.4-123.8 120.7 -3.2 2.0 -56.9 88 86 A V E -bd 11 131A 0 42,-2.8 44,-2.6 -2,-0.4 2,-0.5 -0.988 10.7-170.5-130.5 124.7 -3.7 -0.6 -54.3 89 87 A V E -bd 12 132A 0 -78,-2.7 -76,-2.2 -2,-0.5 2,-0.8 -0.957 11.8-152.4-115.4 114.8 -7.1 -1.7 -53.1 90 88 A N E + d 0 133A 7 42,-2.2 44,-2.8 -2,-0.5 -76,-0.1 -0.776 41.2 136.6 -90.6 109.7 -7.2 -4.1 -50.1 91 89 A N + 0 0 39 -2,-0.8 2,-0.2 42,-0.2 -1,-0.2 0.596 29.5 112.9-124.1 -26.3 -10.3 -6.2 -50.2 92 90 A A 0 0 37 1,-0.2 -78,-0.1 -72,-0.0 -79,-0.1 -0.359 360.0 360.0 -55.2 117.0 -9.1 -9.7 -49.3 93 91 A G 0 0 105 -2,-0.2 -1,-0.2 -79,-0.0 -79,-0.0 0.399 360.0 360.0-142.9 360.0 -10.6 -10.7 -45.9 94 ! 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 95 100 A R 0 0 238 0, 0.0 2,-0.2 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 157.7 -23.3 -17.1 -37.8 96 101 A M - 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