==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-12 4EFI . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER PROTEIN) SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE,T. . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 14.3 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 . 1 0.3 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 . 2 0.6 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 0 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 3 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 1 1 0 0 2 0 2 1 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 . 2 0 0 1 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 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 6 A F > 0 0 138 0, 0.0 3,-2.2 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 24.3 2.2 -12.8 12.9 2 7 A S T 3 + 0 0 117 1,-0.3 3,-0.1 189,-0.0 189,-0.0 0.772 360.0 37.6 -51.1 -29.3 3.9 -10.1 10.7 3 8 A A T 3 S- 0 0 60 1,-0.4 -1,-0.3 240,-0.1 2,-0.1 0.128 134.7 -44.5-115.5 18.0 0.5 -8.6 10.0 4 9 A G < - 0 0 8 -3,-2.2 -1,-0.4 185,-0.1 2,-0.3 -0.387 67.9 -73.3 132.2 152.5 -1.1 -9.1 13.5 5 10 A R E -A 190 0A 146 185,-2.8 185,-2.0 -2,-0.1 2,-0.5 -0.599 43.0-139.3 -72.7 130.3 -1.4 -11.6 16.3 6 11 A E E +A 189 0A 53 -2,-0.3 2,-0.3 183,-0.2 183,-0.2 -0.816 26.8 179.0 -97.7 127.6 -3.9 -14.4 15.6 7 12 A L E -A 188 0A 39 181,-2.9 181,-2.6 -2,-0.5 2,-0.4 -0.923 14.1-163.9-133.3 149.0 -6.1 -15.4 18.5 8 13 A R E -A 187 0A 118 -2,-0.3 2,-0.3 179,-0.2 179,-0.2 -1.000 7.2-177.7-136.7 134.4 -8.9 -18.0 19.0 9 14 A T E +A 186 0A 1 177,-2.5 177,-2.6 -2,-0.4 2,-0.3 -0.894 1.6 179.9-124.7 160.6 -11.5 -18.3 21.8 10 15 A Q E +A 185 0A 76 -2,-0.3 175,-0.1 175,-0.2 3,-0.1 -0.969 57.2 50.6-148.5 159.8 -14.2 -20.8 22.5 11 16 A G S S+ 0 0 19 173,-0.7 169,-1.9 -2,-0.3 2,-0.3 0.582 90.4 87.8 90.7 11.5 -16.9 -21.1 25.2 12 17 A A E -E 179 0B 14 167,-0.3 2,-0.3 172,-0.3 167,-0.2 -0.991 49.2-174.6-143.0 147.0 -18.3 -17.5 25.0 13 18 A R E -E 178 0B 101 165,-2.3 165,-2.3 -2,-0.3 2,-0.4 -0.967 34.9-104.1-136.5 155.3 -21.0 -15.9 22.9 14 19 A I E -E 177 0B 6 -2,-0.3 325,-0.4 323,-0.3 163,-0.3 -0.680 34.2-176.9 -72.2 127.5 -22.5 -12.5 22.3 15 20 A A E - 0 0 6 161,-3.1 328,-0.4 -2,-0.4 2,-0.3 0.590 58.7 -22.3-104.3 -17.0 -25.8 -12.4 24.2 16 21 A G E -E 176 0B 0 160,-1.0 160,-2.6 325,-0.1 -1,-0.4 -0.894 49.9-150.2 175.5 156.8 -27.1 -9.0 23.2 17 22 A V E -Ef 175 344B 2 326,-2.1 328,-1.7 -2,-0.3 2,-0.4 -0.981 11.5-179.0-145.5 128.2 -26.1 -5.5 22.0 18 23 A V E -Ef 174 345B 0 156,-2.5 156,-2.7 -2,-0.3 2,-0.4 -0.999 8.2-161.2-126.2 139.4 -27.8 -2.1 22.6 19 24 A S E -Ef 173 346B 0 326,-2.4 328,-2.8 -2,-0.4 2,-0.4 -0.907 0.8-162.7-112.6 145.9 -26.7 1.3 21.2 20 25 A C E -Ef 172 347B 0 152,-3.3 152,-2.4 -2,-0.4 328,-0.2 -0.995 9.7-175.7-128.6 125.2 -27.6 4.7 22.6 21 26 A V E - f 0 348B 3 326,-2.3 328,-1.8 -2,-0.4 150,-0.2 -0.863 35.9 -93.4-115.1 150.8 -27.3 7.8 20.6 22 27 A P - 0 0 3 0, 0.0 33,-0.1 0, 0.0 148,-0.1 -0.350 27.1-134.2 -55.4 142.5 -27.8 11.5 21.5 23 28 A S S S+ 0 0 59 30,-0.1 2,-0.7 2,-0.1 32,-0.1 0.710 80.2 103.2 -72.1 -18.2 -31.3 12.6 20.6 24 29 A K - 0 0 47 30,-0.3 30,-1.6 2,-0.0 2,-0.4 -0.535 60.3-161.1 -68.2 113.5 -29.8 15.8 19.2 25 30 A Q E -J 53 0C 113 -2,-0.7 2,-0.5 28,-0.2 28,-0.2 -0.754 4.9-164.7 -95.4 138.8 -29.8 15.4 15.4 26 31 A V E -J 52 0C 17 26,-2.7 26,-1.6 -2,-0.4 2,-0.1 -0.979 7.0-162.2-125.9 118.4 -27.4 17.6 13.4 27 32 A D E > -J 51 0C 77 -2,-0.5 3,-1.1 24,-0.2 4,-0.3 -0.413 35.7-104.4 -90.1 168.9 -28.1 17.9 9.6 28 33 A N G > S+ 0 0 24 22,-1.2 3,-1.9 1,-0.2 4,-0.5 0.786 114.2 75.2 -66.6 -23.3 -25.6 19.1 7.0 29 34 A D G > S+ 0 0 136 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.865 82.6 70.2 -53.9 -36.3 -27.5 22.4 6.8 30 35 A Y G < S+ 0 0 156 -3,-1.1 3,-0.4 1,-0.3 4,-0.3 0.797 100.1 45.8 -49.4 -34.7 -25.9 23.2 10.1 31 39 A F G <> S+ 0 0 11 -3,-1.9 4,-2.7 -4,-0.3 -1,-0.3 0.535 86.0 87.1 -94.1 -8.4 -22.5 23.5 8.4 32 40 A V T <4 S+ 0 0 59 -3,-1.5 5,-0.3 -4,-0.5 -1,-0.2 0.770 84.6 56.5 -68.7 -27.2 -23.4 25.7 5.3 33 41 A E T 4 S+ 0 0 105 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.941 116.7 33.9 -67.8 -45.7 -22.9 29.0 7.1 34 42 A R T 4 S+ 0 0 81 -4,-0.3 2,-0.3 -3,-0.1 -2,-0.2 0.884 127.6 37.0 -78.5 -41.2 -19.3 28.3 8.2 35 43 A F S < S- 0 0 29 -4,-2.7 2,-0.1 127,-0.0 -1,-0.0 -0.811 100.4 -94.1-110.5 153.4 -18.3 26.3 5.2 36 44 A D > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.403 29.0-127.6 -65.2 141.1 -19.5 27.0 1.6 37 45 A A H > S+ 0 0 49 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.880 109.6 51.7 -55.6 -40.9 -22.5 25.0 0.5 38 46 A S H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 111.4 46.1 -68.0 -35.9 -20.7 23.7 -2.6 39 47 A A H > S+ 0 0 23 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 113.3 49.4 -71.9 -40.9 -17.7 22.5 -0.6 40 48 A V H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.919 110.0 52.4 -62.3 -41.8 -20.0 20.9 2.0 41 49 A R H X S+ 0 0 152 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.922 110.9 45.7 -62.4 -44.9 -21.9 19.2 -0.7 42 50 A D H X S+ 0 0 107 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.887 115.0 47.2 -66.2 -40.5 -18.8 17.7 -2.4 43 51 A V H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.919 111.0 49.6 -68.6 -43.6 -17.3 16.5 1.0 44 52 A V H X S+ 0 0 19 -4,-2.8 4,-2.6 1,-0.2 5,-0.5 0.842 105.7 58.6 -71.3 -26.7 -20.5 14.9 2.3 45 53 A K H < S+ 0 0 170 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.949 112.3 40.8 -58.3 -49.4 -20.9 13.1 -1.1 46 54 A M H < S+ 0 0 44 -4,-1.5 224,-1.7 1,-0.2 -2,-0.2 0.898 120.9 40.5 -67.0 -42.3 -17.5 11.4 -0.5 47 55 A I H < S- 0 0 20 -4,-2.6 222,-2.1 222,-0.2 -1,-0.2 0.791 101.6-134.2 -84.8 -23.6 -17.9 10.7 3.2 48 56 A G < + 0 0 14 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.1 0.597 51.4 141.8 88.0 15.3 -21.5 9.6 2.9 49 57 A V + 0 0 2 -5,-0.5 -1,-0.3 -6,-0.2 242,-0.2 -0.624 20.3 158.7 -94.9 144.8 -23.1 11.5 5.7 50 58 A N S S+ 0 0 79 241,-1.8 -22,-1.2 1,-0.6 2,-0.3 0.555 74.5 4.5-120.8 -37.7 -26.4 13.2 5.8 51 59 A R E -J 27 0C 80 240,-2.1 -1,-0.6 239,-0.3 243,-0.4 -0.953 59.4-177.9-143.4 159.2 -27.1 13.4 9.6 52 60 A R E -J 26 0C 0 -26,-1.6 -26,-2.7 -2,-0.3 2,-0.4 -0.964 26.3-116.0-153.6 163.5 -25.3 12.6 12.8 53 61 A R E -J 25 0C 32 240,-0.5 117,-2.8 -2,-0.3 2,-0.5 -0.908 24.6-163.2-105.5 133.8 -26.0 12.8 16.5 54 62 A W - 0 0 53 -30,-1.6 -30,-0.3 -2,-0.4 2,-0.1 -0.971 16.6-128.6-120.1 128.4 -24.1 15.1 18.9 55 63 A A - 0 0 14 -2,-0.5 2,-0.1 -33,-0.1 6,-0.0 -0.397 24.1-125.8 -65.4 140.9 -23.9 14.8 22.7 56 64 A D > - 0 0 73 -2,-0.1 3,-1.8 1,-0.1 -1,-0.1 -0.282 37.3 -89.4 -79.0 176.2 -24.7 17.9 24.7 57 65 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.857 126.7 48.4 -60.1 -33.6 -22.2 19.2 27.3 58 66 A Q T 3 S+ 0 0 142 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.443 96.4 84.8 -85.8 -1.6 -23.7 17.1 30.1 59 67 A T < + 0 0 9 -3,-1.8 2,-0.2 4,-0.0 -4,-0.1 -0.918 56.9 179.5-107.8 120.6 -23.8 13.8 28.1 60 68 A S > - 0 0 18 -2,-0.6 4,-2.1 1,-0.1 3,-0.2 -0.628 45.6-102.9-108.1 172.4 -20.6 11.7 28.0 61 69 A A H > S+ 0 0 0 31,-0.6 4,-2.7 1,-0.3 5,-0.2 0.903 124.5 56.1 -58.8 -40.9 -19.7 8.4 26.4 62 70 A G H > S+ 0 0 2 30,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.858 105.9 50.0 -57.7 -42.0 -20.1 6.9 29.9 63 71 A D H > S+ 0 0 28 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 110.5 49.1 -64.6 -43.4 -23.6 8.2 30.1 64 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 113.0 47.4 -62.8 -44.5 -24.5 6.8 26.6 65 73 A C H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.879 109.2 54.5 -64.0 -37.4 -23.1 3.4 27.6 66 74 A R H X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.942 110.2 45.8 -61.2 -47.5 -25.0 3.5 30.9 67 75 A K H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 114.3 48.0 -64.9 -40.9 -28.3 4.0 29.2 68 76 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.920 111.7 52.1 -61.5 -41.2 -27.5 1.3 26.6 69 77 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.888 106.6 51.6 -64.0 -43.4 -26.5 -0.9 29.5 70 78 A E H X S+ 0 0 96 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.925 113.1 45.4 -58.7 -45.1 -29.8 -0.4 31.4 71 79 A K H X S+ 0 0 99 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.909 114.0 49.4 -66.5 -41.5 -31.8 -1.3 28.4 72 80 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.939 112.3 46.2 -62.6 -49.6 -29.6 -4.3 27.6 73 81 A L H X>S+ 0 0 18 -4,-2.9 4,-1.7 1,-0.2 5,-1.3 0.891 113.1 50.2 -62.7 -41.3 -29.8 -5.7 31.2 74 82 A A H <5S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.910 112.1 48.1 -63.1 -43.9 -33.5 -5.2 31.3 75 83 A G H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.7 41.3 -62.4 -44.8 -34.0 -6.9 28.0 76 84 A L H <5S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.732 103.0-130.9 -72.3 -25.4 -31.8 -9.9 28.9 77 85 A G T <5 + 0 0 46 -4,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.752 49.2 159.8 72.9 27.4 -33.3 -10.1 32.5 78 86 A W < - 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