==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAR-09 3GOA . COMPND 2 MOLECULE: 3-KETOACYL-COA THIOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.M.ANDERSON,T.SKARINA,O.ONOPRIYENKO,Z.WAWRZAK,L.PAPAZISI, . 761 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 13.7 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 . 4 0.5 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 . 4 0.5 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 . 39 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 6 0 3 1 2 0 3 0 2 0 2 2 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 2 2 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 . 2 4 1 2 0 0 2 6 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 . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 128 0, 0.0 106,-0.1 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 141.5 15.6 16.8 73.5 2 2 A E - 0 0 62 104,-0.7 2,-0.3 103,-0.4 106,-0.1 -0.333 360.0-117.5 -66.3 147.3 12.1 17.6 74.7 3 3 A Q - 0 0 87 102,-0.0 244,-2.0 -2,-0.0 2,-0.6 -0.627 30.5-127.9 -74.4 145.0 9.6 14.9 75.3 4 4 A V E -A 246 0A 3 257,-0.4 257,-2.4 -2,-0.3 2,-0.3 -0.879 26.8-168.3-104.3 125.1 6.6 15.3 73.0 5 5 A V E -AB 245 260A 0 240,-2.8 240,-2.3 -2,-0.6 2,-0.6 -0.771 20.0-135.9-112.2 153.8 3.2 15.3 74.7 6 6 A I E +AB 244 259A 0 253,-3.1 252,-3.1 -2,-0.3 253,-1.1 -0.952 20.8 178.4-107.5 114.4 -0.3 15.1 73.2 7 7 A V E + 0 0 6 236,-2.5 2,-0.3 -2,-0.6 237,-0.1 0.710 68.2 3.7 -90.9 -22.3 -2.5 17.6 74.9 8 8 A D E -A 243 0A 6 235,-1.1 235,-2.1 251,-0.0 2,-0.3 -0.983 54.8-171.7-163.4 151.6 -5.7 16.9 72.9 9 9 A A E +A 242 0A 0 -2,-0.3 2,-0.3 233,-0.2 233,-0.2 -0.930 20.5 159.2-153.5 122.3 -6.9 14.5 70.2 10 10 A I E -A 241 0A 0 231,-2.9 231,-3.0 -2,-0.3 2,-0.3 -0.889 14.4-170.3-145.3 165.1 -10.2 14.8 68.5 11 11 A R E -Ac 240 183A 0 171,-2.4 173,-2.7 -2,-0.3 229,-0.3 -0.988 25.8-110.2-153.7 162.8 -12.0 13.8 65.3 12 12 A T - 0 0 0 227,-2.6 187,-0.1 -2,-0.3 189,-0.0 -0.482 51.0 -89.2 -79.6 167.1 -15.1 14.4 63.3 13 13 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 226,-0.3 -0.355 48.2-104.6 -57.9 158.0 -17.8 11.6 63.0 14 14 A X - 0 0 0 224,-0.1 189,-1.5 -3,-0.1 188,-0.3 -0.868 40.1-152.7 -92.2 110.4 -17.1 9.3 60.2 15 15 A G E -V 237 0B 1 222,-2.4 222,-2.2 -2,-0.8 2,-0.5 -0.597 22.6-106.1 -83.2 145.3 -19.6 10.2 57.5 16 16 A R E > -V 236 0B 84 -2,-0.3 4,-1.7 220,-0.2 6,-0.3 -0.595 25.8-151.8 -68.3 118.2 -20.9 7.7 54.9 17 17 A S T 4 S+ 0 0 13 218,-2.1 2,-1.9 -2,-0.5 -1,-0.2 0.858 82.0 75.4 -61.2 -37.7 -19.2 8.7 51.7 18 18 A K T 4 S- 0 0 157 217,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.569 133.4 -42.2 -80.6 77.7 -22.0 7.3 49.5 19 19 A G T 4 S+ 0 0 43 -2,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.597 107.1 126.0 84.2 14.8 -24.6 10.0 50.0 20 20 A G >< - 0 0 0 -4,-1.7 3,-1.9 -5,-0.0 4,-0.2 0.186 69.4 -43.3 -97.3-149.1 -24.1 10.6 53.7 21 21 A A T 3 S+ 0 0 0 1,-0.3 168,-1.7 2,-0.1 3,-0.3 0.724 128.0 34.0 -54.2 -41.9 -23.4 13.3 56.3 22 22 A F T > S+ 0 0 0 -6,-0.3 3,-2.1 166,-0.2 -1,-0.3 0.150 74.6 117.7-107.7 17.7 -20.7 15.3 54.7 23 23 A R T < S+ 0 0 62 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.757 89.7 36.3 -57.0 -24.0 -21.7 15.0 51.0 24 24 A N T 3 S+ 0 0 100 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.146 101.1 89.5-113.8 18.6 -22.1 18.8 51.0 25 25 A V S < S- 0 0 24 -3,-2.1 2,-0.1 164,-0.1 164,-0.0 -0.975 73.4-129.1-118.4 126.1 -19.2 19.7 53.3 26 26 A R >> - 0 0 41 -2,-0.5 4,-2.2 1,-0.1 3,-0.6 -0.331 17.0-117.9 -75.4 152.9 -15.7 20.3 51.9 27 27 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.832 115.3 54.4 -52.2 -39.9 -12.5 18.7 53.0 28 28 A E H 3> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.835 108.5 50.5 -69.5 -28.8 -11.0 22.1 54.0 29 29 A D H <> S+ 0 0 60 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.878 108.0 50.0 -76.5 -40.1 -14.1 22.8 56.2 30 30 A L H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.928 116.5 44.8 -60.8 -40.2 -13.9 19.4 58.0 31 31 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.949 112.4 48.3 -69.2 -49.2 -10.3 20.2 58.6 32 32 A A H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.879 106.3 60.0 -60.0 -38.0 -10.7 23.8 59.7 33 33 A H H X S+ 0 0 59 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.917 108.2 43.8 -53.9 -46.0 -13.5 22.7 62.0 34 34 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.855 112.0 52.7 -71.5 -34.6 -11.1 20.5 63.9 35 35 A X H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.955 111.6 46.1 -63.4 -45.1 -8.4 23.2 64.0 36 36 A R H X S+ 0 0 107 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.875 111.6 54.0 -62.4 -37.4 -10.8 25.7 65.4 37 37 A S H X S+ 0 0 15 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.890 103.7 53.1 -68.1 -40.9 -11.9 23.1 67.9 38 38 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.873 112.8 46.4 -61.5 -37.9 -8.4 22.4 69.2 39 39 A L H >< S+ 0 0 34 -4,-1.6 3,-0.6 2,-0.2 6,-0.2 0.918 112.9 47.3 -70.0 -43.3 -8.1 26.1 69.8 40 40 A A H 3< S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 112.4 50.5 -63.8 -39.2 -11.4 26.5 71.5 41 41 A R H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.647 115.3 42.5 -74.9 -18.4 -10.8 23.5 73.7 42 42 A N X< + 0 0 13 -4,-0.7 3,-2.4 -3,-0.6 -1,-0.3 -0.579 69.6 171.7-127.3 68.6 -7.4 24.7 74.9 43 43 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.681 70.4 64.5 -61.8 -19.5 -7.9 28.4 75.5 44 44 A S T 3 S+ 0 0 57 209,-0.1 2,-0.6 2,-0.1 211,-0.1 0.602 83.8 90.2 -80.1 -9.1 -4.5 29.1 77.1 45 45 A L S < S- 0 0 9 -3,-2.4 2,-0.5 -6,-0.2 -3,-0.1 -0.773 74.1-146.4 -84.4 122.2 -2.9 28.2 73.8 46 46 A T > - 0 0 90 -2,-0.6 3,-2.1 1,-0.1 4,-0.2 -0.807 10.9-136.2 -90.3 131.0 -2.5 31.4 71.7 47 47 A A G > S+ 0 0 24 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.815 100.1 63.1 -61.0 -32.8 -3.0 30.5 68.0 48 48 A A G 3 S+ 0 0 57 1,-0.3 -1,-0.3 30,-0.1 30,-0.0 0.676 93.6 65.3 -67.0 -13.0 -0.0 32.7 66.9 49 49 A T G < S+ 0 0 54 -3,-2.1 -1,-0.3 33,-0.1 62,-0.3 0.469 71.0 114.6 -89.4 -1.1 2.3 30.6 69.0 50 50 A L < - 0 0 6 -3,-1.8 63,-0.2 -4,-0.2 3,-0.1 -0.531 52.0-161.3 -64.6 134.9 1.7 27.5 66.8 51 51 A D - 0 0 54 61,-3.1 2,-0.3 1,-0.3 62,-0.2 0.675 63.8 -18.5 -95.0 -19.3 5.1 26.7 65.0 52 52 A D E -d 113 0A 0 60,-0.6 62,-1.9 30,-0.1 2,-0.4 -0.964 50.8-133.3-174.9 164.9 3.6 24.6 62.2 53 53 A I E -d 114 0A 0 30,-0.3 32,-2.8 -2,-0.3 2,-0.5 -0.986 16.8-167.7-133.0 116.6 0.7 22.5 61.1 54 54 A Y E -de 115 85A 0 60,-2.4 62,-1.7 -2,-0.4 2,-0.4 -0.950 12.4-179.6-106.5 123.1 1.3 19.0 59.6 55 55 A W E -de 116 86A 0 30,-2.5 32,-2.7 -2,-0.5 2,-0.3 -0.979 18.9-140.1-129.1 128.1 -1.8 17.6 57.8 56 56 A G E +de 117 87A 0 60,-3.0 62,-2.3 -2,-0.4 2,-0.3 -0.674 33.2 149.7 -85.8 140.1 -2.1 14.2 56.1 57 57 A C - 0 0 0 30,-2.0 3,-0.2 -2,-0.3 62,-0.1 -0.879 23.3-170.2-165.6 136.5 -4.1 13.9 52.9 58 58 A V S S+ 0 0 0 60,-0.3 2,-1.9 -2,-0.3 390,-0.4 0.908 77.9 56.3 -97.4 -53.0 -3.6 11.5 49.9 59 59 A Q + 0 0 7 65,-0.1 2,-2.1 1,-0.1 5,-0.2 -0.522 69.7 179.4 -85.6 76.3 -5.9 12.6 47.0 60 60 A Q + 0 0 0 -2,-1.9 382,-0.4 382,-0.5 6,-0.4 -0.474 40.7 91.8 -88.8 71.6 -4.4 16.1 46.8 61 61 A T S > S+ 0 0 1 -2,-2.1 3,-2.3 4,-0.2 451,-0.1 -0.922 77.9 11.0-147.2 173.0 -6.4 17.6 43.9 62 62 A L B > S-w 512 0C 49 449,-2.3 3,-2.4 -2,-0.3 451,-0.6 -0.285 138.4 -4.7 50.6-134.4 -9.6 19.5 43.7 63 63 A E T 3 S+ 0 0 14 1,-0.3 -1,-0.3 449,-0.1 -35,-0.1 0.663 142.8 51.5 -64.5 -11.5 -10.7 20.7 47.2 64 64 A Q T <> S+ 0 0 0 -3,-2.3 4,-0.6 -5,-0.2 -1,-0.3 0.355 96.4 97.2-102.6 7.1 -7.8 18.7 48.6 65 65 A G T <4 + 0 0 7 -3,-2.4 -4,-0.2 -5,-0.2 376,-0.1 -0.318 60.2 40.4 -91.0 172.5 -5.2 20.2 46.4 66 66 A F T 4 S- 0 0 42 -6,-0.4 -1,-0.2 374,-0.3 5,-0.1 0.855 131.3 -45.2 63.6 40.8 -2.6 23.0 46.6 67 67 A N T >> - 0 0 0 -3,-0.3 4,-1.8 373,-0.2 3,-1.0 0.994 61.7-165.0 69.1 69.7 -1.6 22.3 50.2 68 68 A I H 3X S+ 0 0 0 -4,-0.6 4,-3.2 1,-0.3 5,-0.3 0.779 83.4 69.7 -54.4 -31.7 -4.8 21.7 52.1 69 69 A A H 3> S+ 0 0 0 -14,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.944 107.1 38.2 -49.8 -50.0 -3.0 22.1 55.4 70 70 A R H <> S+ 0 0 2 -3,-1.0 4,-2.6 14,-0.2 5,-0.2 0.896 115.2 52.3 -69.6 -42.1 -2.6 25.8 54.7 71 71 A N H X S+ 0 0 8 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.932 111.8 46.1 -65.7 -43.0 -6.0 26.3 53.1 72 72 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.907 111.5 52.5 -62.8 -40.6 -7.7 24.8 56.0 73 73 A A H <>S+ 0 0 2 -4,-1.8 5,-2.4 -5,-0.3 4,-0.2 0.902 109.6 48.1 -64.9 -39.6 -5.6 26.8 58.5 74 74 A L H ><5S+ 0 0 16 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.907 111.6 50.5 -66.0 -41.7 -6.5 30.1 56.7 75 75 A L H 3<5S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.877 107.5 53.6 -62.0 -35.9 -10.2 29.1 56.7 76 76 A A T 3<5S- 0 0 5 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.492 115.6-120.7 -73.7 -4.3 -10.0 28.4 60.4 77 77 A E T < 5 + 0 0 145 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.766 53.0 163.1 61.7 28.4 -8.6 31.9 60.8 78 78 A I < - 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