==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-NOV-09 3KSU . COMPND 2 MOLECULE: 3-OXOACYL-ACYL CARRIER PROTEIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OENOCOCCUS OENI PSU-1; . AUTHOR Y.PATSKOVSKY,R.TORO,M.GILMORE,S.MILLER,J.M.SAUDER,S.C.ALMO, . 457 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 0 2 1 1 0 2 0 4 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A T 0 0 110 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.3 -9.7 -25.6 -37.4 2 3 A K - 0 0 85 1,-0.0 2,-0.6 216,-0.0 3,-0.1 -0.731 360.0-100.3 -84.6 142.5 -10.8 -26.7 -33.9 3 4 A Y - 0 0 40 -2,-0.3 3,-0.1 214,-0.3 217,-0.1 -0.560 35.6-178.6 -68.3 111.4 -8.4 -29.1 -32.1 4 5 A H S S+ 0 0 179 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.805 79.1 21.1 -71.8 -32.3 -9.8 -32.6 -32.4 5 6 A D - 0 0 84 -3,-0.1 -1,-0.2 2,-0.1 26,-0.0 -0.992 58.2-159.0-142.5 141.0 -6.8 -33.8 -30.4 6 7 A L > + 0 0 5 -2,-0.3 3,-0.6 -3,-0.1 2,-0.2 0.190 57.7 115.2-106.7 15.7 -4.4 -32.0 -28.0 7 8 A K T 3 S+ 0 0 98 1,-0.2 26,-0.2 26,-0.1 3,-0.1 -0.552 71.3 22.8 -90.4 155.4 -1.6 -34.6 -28.2 8 9 A N T 3 S+ 0 0 111 24,-3.7 2,-0.2 1,-0.2 -1,-0.2 0.557 93.5 143.0 65.4 16.0 1.9 -33.9 -29.7 9 10 A K < - 0 0 13 -3,-0.6 25,-3.3 23,-0.3 2,-0.6 -0.565 50.8-128.5 -95.0 148.0 1.2 -30.2 -29.0 10 11 A V E -a 34 0A 6 78,-0.2 80,-2.6 -2,-0.2 81,-2.3 -0.841 27.6-176.9-103.8 121.4 3.8 -27.7 -27.8 11 12 A I E -ab 35 91A 0 23,-3.3 25,-2.9 -2,-0.6 2,-0.5 -0.967 12.6-162.2-126.0 122.0 2.9 -25.6 -24.7 12 13 A V E -ab 36 92A 0 79,-2.9 81,-3.5 -2,-0.5 2,-0.5 -0.895 8.0-173.9 -99.8 127.5 4.8 -22.8 -23.0 13 14 A I E > -ab 37 93A 0 23,-2.3 25,-2.8 -2,-0.5 3,-0.9 -0.955 14.0-151.8-120.3 112.4 4.0 -21.9 -19.4 14 15 A A E 3 S+ b 0 94A 0 79,-2.8 81,-1.8 -2,-0.5 82,-0.7 -0.734 93.2 14.3 -74.4 120.8 5.7 -18.9 -17.8 15 16 A G T 3 S+ 0 0 8 -2,-0.6 6,-0.4 23,-0.3 3,-0.4 0.869 87.3 152.6 77.7 43.5 5.7 -19.6 -14.1 16 17 A G < + 0 0 0 22,-2.1 9,-0.2 -3,-0.9 23,-0.1 0.216 48.6 68.4 -95.7 15.6 4.9 -23.3 -14.7 17 18 A I S S+ 0 0 6 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.667 100.6 25.8-110.6 -20.3 6.4 -25.0 -11.7 18 19 A K S >> S- 0 0 51 -3,-0.4 4,-0.8 33,-0.0 3,-0.8 -0.900 106.5 -5.3-136.7 166.0 4.3 -23.9 -8.7 19 20 A N H 3> S- 0 0 26 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.205 127.3 -4.3 58.8-131.1 0.8 -22.7 -7.9 20 21 A L H 3> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 134.6 57.6 -59.5 -45.2 -1.5 -22.0 -10.9 21 22 A G H <> S+ 0 0 0 -3,-0.8 4,-1.7 -6,-0.4 -2,-0.2 0.868 107.4 44.8 -53.3 -47.4 1.3 -22.8 -13.4 22 23 A A H X S+ 0 0 6 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.861 113.8 50.0 -67.0 -39.8 2.0 -26.3 -12.0 23 24 A L H X S+ 0 0 43 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.837 109.5 52.0 -67.9 -35.2 -1.8 -27.1 -11.9 24 25 A T H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.877 109.3 50.7 -65.0 -39.8 -2.1 -25.9 -15.5 25 26 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.881 108.9 49.8 -66.3 -40.7 0.7 -28.2 -16.5 26 27 A K H < S+ 0 0 70 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.859 109.0 53.4 -66.6 -36.6 -0.8 -31.3 -14.8 27 28 A T H >< S+ 0 0 34 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.849 112.6 43.5 -65.9 -38.7 -4.2 -30.5 -16.6 28 29 A F H >< S+ 0 0 1 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.828 101.3 70.1 -74.6 -31.1 -2.4 -30.4 -20.0 29 30 A A T 3< + 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.328 69.8 90.9 -76.0 8.8 -0.3 -33.6 -19.2 30 31 A L T < S+ 0 0 125 -3,-0.6 -1,-0.3 2,-0.1 2,-0.2 0.757 93.2 45.3 -68.7 -26.5 -3.4 -35.8 -19.4 31 32 A E S < S- 0 0 56 -3,-1.5 2,-1.9 -25,-0.1 -24,-0.0 -0.670 112.2 -84.2-110.0 169.2 -2.5 -36.2 -23.1 32 33 A S S S+ 0 0 57 -2,-0.2 -24,-3.7 28,-0.1 -23,-0.3 -0.508 73.5 158.8 -74.8 81.6 0.9 -36.8 -24.8 33 34 A V - 0 0 0 -2,-1.9 28,-2.2 -26,-0.2 2,-0.7 -0.715 45.1-124.5-118.1 153.5 1.9 -33.1 -24.8 34 35 A N E -ac 10 61A 32 -25,-3.3 -23,-3.3 -2,-0.3 2,-0.5 -0.858 31.0-170.1-103.2 108.8 5.2 -31.1 -25.0 35 36 A L E -ac 11 62A 0 26,-3.5 28,-2.8 -2,-0.7 2,-0.6 -0.848 17.3-171.2-106.2 121.9 5.6 -28.8 -22.0 36 37 A V E -ac 12 63A 0 -25,-2.9 -23,-2.3 -2,-0.5 2,-0.6 -0.961 19.8-162.2-103.6 115.9 8.3 -26.1 -21.7 37 38 A L E -ac 13 64A 0 26,-2.6 28,-1.9 -2,-0.6 2,-0.3 -0.887 2.4-159.3-105.9 117.6 8.0 -24.9 -18.1 38 39 A H E - c 0 65A 0 -25,-2.8 -22,-2.1 -2,-0.6 -21,-0.4 -0.645 9.2-177.2 -89.1 148.1 9.5 -21.6 -17.1 39 40 A Y E - c 0 66A 26 26,-1.7 28,-1.8 -2,-0.3 30,-0.1 -0.978 20.9-146.6-146.1 142.7 10.4 -20.6 -13.5 40 41 A H S S+ 0 0 26 -2,-0.3 2,-0.5 26,-0.2 -1,-0.1 0.908 76.8 57.9 -71.1 -48.0 11.8 -17.3 -12.2 41 42 A Q > - 0 0 55 1,-0.1 3,-1.7 25,-0.1 -1,-0.1 -0.778 63.9-147.9-104.2 129.0 14.0 -18.3 -9.3 42 43 A A G > S+ 0 0 63 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.704 96.0 65.8 -61.5 -24.4 17.0 -20.7 -9.5 43 44 A K G > S+ 0 0 146 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.634 88.7 67.7 -75.1 -13.5 16.5 -22.0 -6.0 44 45 A D G <> + 0 0 25 -3,-1.7 4,-2.3 1,-0.2 3,-0.3 0.180 66.9 110.4 -89.4 16.2 13.2 -23.6 -7.0 45 46 A S H <> S+ 0 0 40 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.813 74.0 52.4 -62.0 -35.5 15.1 -26.1 -9.3 46 47 A D H <> S+ 0 0 129 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.801 109.5 48.8 -72.8 -30.8 14.2 -29.0 -7.0 47 48 A T H > S+ 0 0 67 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 112.8 49.3 -69.6 -44.7 10.5 -28.2 -7.1 48 49 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.913 112.9 45.8 -57.3 -47.7 10.8 -27.9 -10.9 49 50 A N H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.789 110.5 53.5 -70.9 -30.8 12.6 -31.3 -11.2 50 51 A K H X S+ 0 0 147 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.916 113.3 43.6 -64.2 -45.8 10.1 -33.0 -8.9 51 52 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.0 54.2 -66.6 -44.8 7.3 -31.7 -11.1 52 53 A K H X S+ 0 0 58 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.921 107.6 52.7 -50.9 -48.3 9.2 -32.6 -14.3 53 54 A D H X S+ 0 0 98 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.848 112.2 42.1 -59.0 -42.1 9.5 -36.2 -12.9 54 55 A E H < S+ 0 0 71 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.815 112.8 53.4 -78.4 -29.9 5.8 -36.7 -12.2 55 56 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-0.4 0.785 104.8 55.0 -73.0 -29.9 4.7 -35.1 -15.5 56 57 A E H ><5S+ 0 0 64 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.798 105.9 53.2 -69.1 -29.9 7.0 -37.4 -17.4 57 58 A D T 3<5S+ 0 0 140 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.475 99.1 62.4 -83.2 -6.3 5.1 -40.2 -15.6 58 59 A Q T 3 5S- 0 0 79 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.544 126.9-103.3 -83.8 -12.4 1.8 -38.7 -16.9 59 60 A G T < 5S+ 0 0 45 -3,-0.6 2,-0.3 1,-0.3 -3,-0.2 0.663 81.4 124.7 96.4 22.8 3.2 -39.4 -20.4 60 61 A A < - 0 0 1 -5,-1.8 2,-0.4 -28,-0.2 -1,-0.3 -0.774 59.4-121.6-112.3 155.7 4.3 -35.9 -21.3 61 62 A K E -c 34 0A 117 -28,-2.2 -26,-3.5 -2,-0.3 2,-0.4 -0.824 30.1-164.9 -97.2 137.7 7.6 -34.4 -22.4 62 63 A V E -c 35 0A 8 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.970 16.0-178.5-134.5 118.4 9.1 -31.6 -20.2 63 64 A A E -c 36 0A 6 -28,-2.8 -26,-2.6 -2,-0.4 2,-0.3 -0.953 20.3-147.2-109.5 134.5 11.8 -29.1 -20.9 64 65 A L E -c 37 0A 34 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.726 14.0-174.9-100.2 152.0 12.7 -26.7 -18.0 65 66 A Y E -c 38 0A 45 -28,-1.9 -26,-1.7 -2,-0.3 2,-0.3 -0.857 7.3-161.2-150.5 110.1 13.8 -23.1 -18.4 66 67 A Q E +c 39 0A 79 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.718 28.2 139.0 -91.4 140.9 15.0 -20.8 -15.7 67 68 A S - 0 0 10 -28,-1.8 -2,-0.1 -2,-0.3 -28,-0.0 -0.909 58.7-124.9-170.3 153.0 15.1 -17.0 -16.2 68 69 A D - 0 0 100 -2,-0.3 -28,-0.1 30,-0.0 -1,-0.1 0.763 42.0-155.3 -70.0 -26.2 14.2 -13.7 -14.4 69 70 A L + 0 0 5 -30,-0.1 29,-0.1 1,-0.1 53,-0.1 0.920 46.5 132.4 50.8 59.9 12.1 -13.0 -17.5 70 71 A S + 0 0 60 27,-0.1 2,-0.3 51,-0.0 52,-0.1 0.558 56.8 37.1-119.9 -17.4 12.2 -9.3 -17.1 71 72 A N S > S- 0 0 60 51,-0.1 4,-1.7 1,-0.0 5,-0.1 -0.827 87.1-100.7-129.6 173.1 13.1 -7.8 -20.5 72 73 A E H > S+ 0 0 58 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.840 119.2 58.5 -61.4 -34.9 12.2 -8.6 -24.2 73 74 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 107.8 44.5 -61.0 -47.2 15.6 -10.4 -24.6 74 75 A E H > S+ 0 0 43 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.845 114.9 49.0 -67.7 -35.5 14.9 -12.9 -21.9 75 76 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 3,-0.5 0.920 110.6 50.8 -68.3 -46.1 11.3 -13.4 -23.2 76 77 A A H X S+ 0 0 19 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.907 108.2 52.8 -53.8 -46.4 12.6 -13.9 -26.7 77 78 A K H X S+ 0 0 101 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.728 102.2 59.6 -66.1 -27.2 15.1 -16.5 -25.5 78 79 A L H X S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.5 -1,-0.2 0.932 111.0 40.1 -63.5 -47.3 12.3 -18.5 -23.7 79 80 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.776 112.4 55.9 -76.6 -26.1 10.5 -19.0 -27.0 80 81 A D H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.929 108.8 48.3 -62.5 -49.3 13.9 -19.6 -28.8 81 82 A F H X S+ 0 0 45 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.836 110.4 52.4 -55.8 -40.2 14.5 -22.4 -26.3 82 83 A A H X>S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.6 0.933 111.2 44.7 -65.2 -49.5 11.0 -23.7 -26.9 83 84 A E H X5S+ 0 0 64 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.824 109.7 57.9 -61.4 -36.3 11.4 -23.9 -30.7 84 85 A K H <5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 117.2 30.8 -63.6 -37.2 14.9 -25.4 -30.3 85 86 A E H <5S+ 0 0 91 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.777 139.0 10.4 -97.8 -30.4 13.6 -28.4 -28.3 86 87 A F H <5S- 0 0 45 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.428 98.2-118.5-128.8 -5.3 10.0 -29.1 -29.5 87 88 A G << + 0 0 29 -4,-1.0 -1,-0.3 -5,-0.6 -2,-0.2 -0.420 69.8 1.9 85.8-171.8 9.6 -27.0 -32.7 88 89 A K S S- 0 0 94 -2,-0.1 -78,-0.2 1,-0.1 46,-0.2 -0.066 79.5-111.0 -54.8 142.9 7.0 -24.2 -33.1 89 90 A V E - d 0 134A 0 44,-3.1 46,-3.1 41,-0.2 -78,-0.2 -0.416 28.6-179.2 -80.0 146.6 4.7 -23.4 -30.2 90 91 A D E S+ 0 0 19 -80,-2.6 49,-2.4 1,-0.3 2,-0.4 0.711 73.3 24.8-108.0 -39.5 1.0 -24.1 -30.2 91 92 A I E -bd 11 139A 0 -81,-2.3 -79,-2.9 47,-0.2 2,-0.4 -0.996 61.9-170.8-135.7 125.2 -0.1 -22.8 -26.8 92 93 A A E -bd 12 140A 0 47,-3.1 49,-2.5 -2,-0.4 2,-0.5 -0.981 5.6-171.7-120.9 124.7 1.6 -20.0 -24.7 93 94 A I E -bd 13 141A 0 -81,-3.5 -79,-2.8 -2,-0.4 2,-0.8 -0.951 11.4-167.0-121.4 116.5 0.4 -19.3 -21.1 94 95 A N E +bd 14 142A 11 47,-3.0 49,-3.3 -2,-0.5 -79,-0.1 -0.874 21.2 160.3 -98.9 104.5 1.6 -16.4 -18.9 95 96 A T + 0 0 10 -81,-1.8 2,-0.3 -2,-0.8 -80,-0.2 0.792 57.2 12.9 -95.7 -33.8 0.5 -17.2 -15.4 96 97 A V - 0 0 50 -82,-0.7 -1,-0.3 -76,-0.0 3,-0.1 -1.000 49.3-157.6-149.1 144.9 2.7 -15.0 -13.1 97 98 A G - 0 0 18 -2,-0.3 2,-0.3 1,-0.2 -57,-0.1 -0.013 64.4 -43.3 -89.0-153.4 5.2 -12.1 -13.1 98 99 A K - 0 0 101 17,-0.2 -1,-0.2 -29,-0.1 21,-0.1 -0.591 64.3-134.4 -80.8 142.1 7.7 -11.6 -10.3 99 100 A V - 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