==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOLASE 04-JUL-94 1PXT . COMPND 2 MOLECULE: PEROXISOMAL 3-KETOACYL-COA THIOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.MATHIEU,R.K.WIERENGA . 684 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 14.6 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 . 3 0.4 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 . 51 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 5 2 1 2 0 0 2 2 3 1 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 5 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 PARALLEL BRIDGES PER LADDER . 2 3 3 0 0 1 1 4 2 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 . 1 0 0 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 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 28 A L 0 0 56 0, 0.0 2,-2.2 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 -31.7 57.3 -21.1 74.7 2 29 A L + 0 0 73 2,-0.1 2,-0.3 319,-0.1 321,-0.0 0.041 360.0 104.6 -68.3 33.4 60.5 -20.8 72.6 3 30 A E S S- 0 0 110 -2,-2.2 2,-0.6 2,-0.0 0, 0.0 -0.771 70.9-133.6-105.4 149.5 58.6 -21.6 69.4 4 31 A K + 0 0 119 -2,-0.3 -2,-0.1 4,-0.0 3,-0.0 -0.949 24.5 179.9-119.6 119.4 58.0 -18.6 67.3 5 32 A R > - 0 0 66 -2,-0.6 3,-1.5 1,-0.1 209,-0.2 -0.783 40.1-119.4-108.2 153.2 54.5 -17.8 65.8 6 33 A P T 3 S+ 0 0 70 0, 0.0 209,-2.0 0, 0.0 208,-0.7 0.872 110.6 73.7 -61.0 -27.4 53.7 -14.8 63.7 7 34 A E T 3 S+ 0 0 128 207,-0.2 2,-0.1 206,-0.2 206,-0.0 0.339 76.5 121.7 -64.1 3.0 51.2 -13.9 66.4 8 35 A D < - 0 0 12 -3,-1.5 206,-3.4 1,-0.1 2,-0.8 -0.439 68.2-127.8 -78.2 147.2 54.2 -12.9 68.5 9 36 A V E -AB 213 228A 6 219,-0.5 219,-2.3 204,-0.2 2,-0.4 -0.901 38.3-164.8 -93.4 109.0 54.7 -9.4 70.0 10 37 A V E -AB 212 227A 0 202,-3.6 202,-1.1 -2,-0.8 2,-0.6 -0.858 21.2-129.5-108.4 129.4 58.2 -8.6 68.7 11 38 A I E +AB 211 226A 0 215,-1.4 214,-1.6 -2,-0.4 215,-1.1 -0.667 25.3 176.8 -77.3 116.8 60.6 -5.9 69.8 12 39 A V E - 0 0 3 198,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.706 68.7 -4.4 -91.0 -25.4 61.9 -4.0 66.7 13 40 A A E + 0 0 1 197,-0.2 197,-2.6 211,-0.1 -1,-0.3 -0.967 56.2 176.9-163.3 155.3 64.0 -1.4 68.5 14 41 A A E +A 209 0A 0 -2,-0.3 2,-0.3 195,-0.2 195,-0.2 -0.565 16.2 157.9-169.8 96.3 64.7 -0.5 72.1 15 42 A N E -A 208 0A 0 193,-0.7 193,-2.3 -2,-0.1 2,-0.2 -0.782 16.0-164.4-121.4 163.7 67.1 2.3 73.1 16 43 A R E -Ac 207 181A 0 164,-2.0 166,-2.4 -2,-0.3 191,-0.2 -0.776 20.0-114.1-136.3 178.2 67.6 4.5 76.1 17 44 A S - 0 0 1 189,-1.4 2,-0.3 -2,-0.2 176,-0.1 -0.490 45.6 -84.1-105.7 178.4 69.4 7.6 76.9 18 45 A A - 0 0 0 164,-0.5 2,-0.8 174,-0.2 188,-0.2 -0.717 51.0-116.5 -79.1 140.3 72.3 7.9 79.4 19 46 A I - 0 0 2 -2,-0.3 177,-0.9 186,-0.1 178,-0.5 -0.780 33.5-149.5 -81.6 113.0 70.7 8.3 82.8 20 47 A G E -D 204 0A 2 184,-2.0 184,-0.6 -2,-0.8 2,-0.3 -0.060 21.9 -96.6 -70.1-179.8 71.7 11.8 83.9 21 48 A K E -D 203 0A 66 182,-0.2 4,-0.4 175,-0.1 7,-0.3 -0.808 38.2-105.1-104.4 145.8 72.1 12.6 87.6 22 49 A G S S- 0 0 5 180,-2.0 2,-0.7 -2,-0.3 3,-0.3 -0.431 93.7 -6.5 -70.0 146.1 69.4 14.1 89.7 23 50 A F S S+ 0 0 114 1,-0.2 -1,-0.2 -2,-0.1 180,-0.0 0.139 144.5 30.5 56.1 -12.2 69.8 17.8 90.7 24 51 A K S S+ 0 0 152 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.553 91.1 101.8-140.5 -33.7 73.3 18.1 89.2 25 52 A G S > S- 0 0 4 -4,-0.4 3,-2.1 -3,-0.3 4,-0.2 0.095 89.2 -73.5 -56.2 174.6 73.8 15.8 86.3 26 53 A A T 3 S+ 0 0 33 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.675 126.8 47.1 -36.3 -43.0 73.8 16.6 82.5 27 54 A F T > S+ 0 0 0 1,-0.2 3,-1.2 -6,-0.2 -1,-0.3 0.636 74.1 109.8 -86.1 -11.5 70.0 17.0 82.1 28 55 A K T < S+ 0 0 90 -3,-2.1 -1,-0.2 -7,-0.3 -2,-0.1 0.532 77.0 55.8 -40.8 -17.6 69.3 19.3 85.1 29 56 A D T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.3 -0.170 106.5 59.9-111.4 38.7 68.6 22.3 82.8 30 57 A V < - 0 0 15 -3,-1.2 100,-0.3 156,-0.0 2,-0.3 -0.989 65.3-140.3-160.5 158.4 65.9 20.5 81.0 31 58 A N >> - 0 0 43 -2,-0.3 3,-2.1 99,-0.1 4,-1.6 -0.796 43.1 -84.0-119.7 168.3 62.5 18.7 81.3 32 59 A T H 3> S+ 0 0 1 1,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.728 120.5 61.4 -38.1 -44.7 60.8 15.7 79.9 33 60 A D H 3> S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.855 109.2 42.0 -57.3 -37.3 59.6 17.4 76.7 34 61 A Y H <> S+ 0 0 61 -3,-2.1 4,-2.5 2,-0.2 5,-0.3 0.881 114.4 50.2 -75.9 -44.1 63.2 18.1 75.7 35 62 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.889 117.0 43.8 -62.4 -36.5 64.5 14.6 76.7 36 63 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.3 5,-0.2 0.966 110.7 50.6 -75.2 -51.9 61.6 13.2 74.8 37 64 A Y H X S+ 0 0 95 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.923 119.2 40.4 -49.0 -48.7 61.9 15.3 71.7 38 65 A N H X S+ 0 0 13 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.948 111.5 52.5 -69.7 -52.6 65.6 14.5 71.5 39 66 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 3,-0.3 0.942 113.6 47.8 -48.9 -47.5 65.4 10.8 72.4 40 67 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.882 105.7 54.5 -61.8 -42.6 62.8 10.4 69.7 41 68 A N H X S+ 0 0 59 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.830 117.1 40.9 -61.5 -33.8 64.7 12.3 66.9 42 69 A E H >X S+ 0 0 55 -4,-1.9 3,-2.5 -3,-0.3 4,-1.8 0.977 115.0 47.8 -72.3 -70.1 67.6 9.9 67.7 43 70 A F H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.832 109.6 55.2 -36.5 -50.8 65.5 6.7 68.1 44 71 A I H >< S+ 0 0 21 -4,-3.1 3,-0.8 1,-0.3 -1,-0.3 0.798 105.9 51.6 -59.1 -33.1 63.6 7.5 64.9 45 72 A G H << S+ 0 0 49 -3,-2.5 2,-0.8 -4,-0.5 -1,-0.3 0.927 105.0 54.9 -68.8 -42.6 66.9 7.7 63.0 46 73 A R T 3< S+ 0 0 78 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 -0.056 93.0 110.1 -80.9 36.5 67.9 4.3 64.4 47 74 A F S < S- 0 0 6 -3,-0.8 -34,-0.1 -2,-0.8 -3,-0.0 -0.931 80.3 -95.1-116.9 138.2 64.7 3.1 62.9 48 75 A P >> - 0 0 24 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.233 39.6-106.2 -58.2 133.0 64.4 0.8 59.9 49 76 A E H 3> S+ 0 0 141 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.707 114.6 53.6 -18.1 -63.0 64.0 2.4 56.5 50 77 A P H 3> S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.857 111.3 43.0 -50.7 -51.0 60.3 1.4 56.1 51 78 A L H <> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 3,-0.3 0.998 113.2 51.4 -61.2 -59.6 59.0 2.8 59.4 52 79 A R H < S+ 0 0 114 -4,-1.3 -1,-0.2 1,-0.3 -3,-0.2 0.821 108.3 55.7 -45.2 -37.8 61.1 6.0 59.1 53 80 A A H < S+ 0 0 80 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.988 128.3 14.1 -58.5 -57.9 59.4 6.3 55.7 54 81 A D H < + 0 0 77 -4,-2.3 -2,-0.2 -3,-0.3 -3,-0.2 0.955 65.9 173.5 -82.7 -62.6 55.9 6.1 57.1 55 82 A L S < S+ 0 0 18 -4,-2.1 3,-0.3 -5,-0.2 -3,-0.1 0.310 72.7 82.4 67.6 -10.3 56.2 6.7 60.9 56 83 A N + 0 0 74 -5,-0.2 -1,-0.2 1,-0.2 -5,-0.1 0.386 67.3 79.3 -98.4 -5.5 52.4 6.7 60.7 57 84 A L S S+ 0 0 40 -6,-0.2 2,-0.6 2,-0.0 62,-0.5 0.660 73.1 92.2 -73.5 -18.4 52.5 2.9 60.8 58 85 A I E -e 119 0A 1 -3,-0.3 62,-0.2 1,-0.1 3,-0.1 -0.712 60.6-174.6 -77.5 117.0 53.0 3.4 64.5 59 86 A E E + 0 0 64 60,-2.2 2,-0.2 -2,-0.6 61,-0.1 -0.013 57.7 17.0-108.9 33.0 49.4 3.3 65.8 60 87 A E E - 0 0 2 29,-0.1 61,-2.5 2,-0.0 2,-0.4 -0.754 51.5-157.4 168.6 139.4 49.8 4.2 69.5 61 88 A V E -e 121 0A 1 29,-0.4 31,-2.9 -2,-0.2 2,-0.4 -0.890 13.7-177.5-132.9 98.8 52.3 5.8 71.8 62 89 A A E -ef 122 92A 0 59,-1.7 61,-0.9 -2,-0.4 2,-0.3 -0.842 10.3-175.6 -93.0 141.6 51.8 4.8 75.5 63 90 A C E -ef 123 93A 0 29,-2.4 31,-0.8 -2,-0.4 61,-0.2 -0.839 16.3-140.3-148.3 105.2 54.4 6.6 77.6 64 91 A G E + f 0 94A 0 59,-2.1 61,-0.5 -2,-0.3 2,-0.3 -0.161 29.2 158.4 -63.4 156.0 54.9 6.2 81.3 65 92 A N - 0 0 0 29,-1.6 32,-0.3 59,-0.1 61,-0.1 -0.875 18.7-171.3-172.6 147.5 55.6 9.1 83.6 66 93 A V S S+ 0 0 15 59,-0.3 5,-0.1 -2,-0.3 4,-0.1 0.717 75.1 36.1-120.5 -34.5 55.1 9.4 87.3 67 94 A L S S+ 0 0 40 2,-0.1 2,-0.1 3,-0.1 3,-0.1 0.506 85.4 97.3-108.5 -11.3 55.6 13.0 88.5 68 95 A N S > S- 0 0 2 345,-0.1 346,-2.9 1,-0.1 3,-2.4 -0.482 90.1 -82.3 -76.8 160.0 54.3 15.5 85.9 69 96 A V B > S-X 413 0B 95 1,-0.3 3,-0.6 344,-0.3 4,-0.3 -0.397 121.1 -3.8 -62.5 113.3 50.9 17.1 86.0 70 97 A G G > S- 0 0 0 342,-3.2 3,-1.8 -2,-0.2 -1,-0.3 0.883 128.1 -70.0 65.3 37.8 48.6 14.4 84.6 71 98 A A G < S- 0 0 0 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 85.9 -69.9 46.2 40.2 51.8 12.3 83.9 72 99 A G G <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.1 5,-0.3 0.669 81.8 155.0 55.8 30.4 52.8 14.7 81.2 73 100 A A H <> S+ 0 0 3 -3,-1.8 4,-0.8 -4,-0.3 -1,-0.1 0.854 73.5 36.5 -55.3 -44.5 50.1 13.8 78.7 74 101 A T H > S+ 0 0 54 2,-0.2 4,-2.2 3,-0.1 3,-0.4 0.969 116.8 48.7 -75.8 -56.1 50.2 17.2 76.9 75 102 A E H >> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.959 115.4 44.4 -47.2 -59.3 53.9 18.1 77.0 76 103 A H H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.715 108.3 56.8 -62.5 -26.0 54.9 14.6 75.7 77 104 A R H 3X S+ 0 0 6 -4,-0.8 4,-2.5 -3,-0.4 -1,-0.3 0.922 109.0 48.0 -69.7 -40.9 52.3 14.5 73.0 78 105 A A H S+ 0 0 7 -4,-2.2 5,-2.1 1,-0.2 -1,-0.2 0.917 114.2 51.7 -57.4 -40.7 56.1 13.3 69.8 81 108 A L H ><5S+ 0 0 12 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.902 113.3 44.7 -61.0 -41.8 54.3 15.8 67.5 82 109 A A H 3<5S+ 0 0 36 -4,-3.5 2,-0.3 1,-0.2 -2,-0.2 0.804 104.2 61.4 -74.1 -36.3 57.5 17.8 67.2 83 110 A S T 3<5S- 0 0 5 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.068 124.7 -97.3 -83.8 32.9 59.8 14.8 66.6 84 111 A G T < 5S+ 0 0 46 -3,-0.6 -3,-0.2 -2,-0.3 -2,-0.1 0.396 78.1 140.7 73.4 -4.3 57.8 14.0 63.5 85 112 A I < - 0 0 5 -5,-2.1 -1,-0.2 -6,-0.2 -29,-0.1 -0.653 58.6-111.3 -73.5 125.2 55.4 11.4 64.8 86 113 A P > - 0 0 33 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.090 6.8-121.8 -59.1 152.6 52.1 12.2 63.1 87 114 A Y T 3 S+ 0 0 104 1,-0.3 498,-0.3 -6,-0.1 -6,-0.1 0.876 109.8 73.6 -59.0 -35.3 48.9 13.6 64.8 88 115 A S T 3 S+ 0 0 51 496,-0.2 496,-0.9 495,-0.1 -1,-0.3 0.695 78.9 86.1 -49.1 -30.3 47.3 10.5 63.4 89 116 A T S < S- 0 0 3 -3,-1.5 -30,-0.1 494,-0.1 496,-0.1 -0.701 78.6-139.2 -83.7 115.3 49.0 8.5 66.0 90 117 A P - 0 0 5 0, 0.0 -29,-0.4 0, 0.0 2,-0.3 -0.253 17.5-151.7 -61.0 175.4 47.0 8.4 69.3 91 118 A F - 0 0 7 -31,-0.2 2,-0.3 349,-0.1 -29,-0.2 -0.977 10.6-166.0-151.4 148.1 49.0 8.8 72.5 92 119 A V E -f 62 0A 2 -31,-2.9 -29,-2.4 -2,-0.3 2,-0.5 -0.987 10.0-150.6-141.0 134.3 48.4 7.5 76.2 93 120 A A E -fG 63 439A 0 346,-1.6 346,-2.0 -2,-0.3 2,-0.3 -0.880 21.4-174.7-107.3 129.1 50.1 8.7 79.4 94 121 A L E -fG 64 438A 7 -31,-0.8 -29,-1.6 -2,-0.5 2,-0.3 -0.866 15.5-165.8-123.3 152.9 50.3 6.0 82.1 95 122 A N E + G 0 437A 4 342,-1.7 342,-1.8 -2,-0.3 -29,-0.1 -0.824 27.7 148.8-142.5 100.9 51.5 6.0 85.7 96 123 A R > - 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