==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JAN-95 1ENY . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.DESSEN,A.QUEMARD,J.S.BLANCHARD,W.R.JACOBS JR.,J.C.SACCHETT . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.7 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 . 2 0.7 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 1 0 1 1 1 1 3 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 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 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 A 0 0 140 0, 0.0 2,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-112.1 8.3 60.4 22.9 2 3 A G > - 0 0 18 3,-0.1 3,-1.8 2,-0.0 29,-0.1 0.313 360.0-147.4 121.2 90.0 8.0 56.7 22.7 3 4 A L T 3 S+ 0 0 70 1,-0.3 244,-0.3 27,-0.1 29,-0.1 0.848 103.9 35.5 -52.9 -30.6 4.4 55.8 23.6 4 5 A L T > S+ 0 0 0 27,-2.3 3,-1.9 24,-0.3 -1,-0.3 -0.041 88.4 169.0-116.8 28.0 5.9 52.6 25.0 5 6 A D T < - 0 0 106 -3,-1.8 28,-0.2 1,-0.3 27,-0.1 -0.162 68.6 -7.2 -50.5 122.5 9.1 54.0 26.2 6 7 A G T 3 S+ 0 0 56 26,-1.3 -1,-0.3 1,-0.2 2,-0.3 0.804 98.7 136.7 62.6 31.9 11.1 51.7 28.4 7 8 A K < - 0 0 33 -3,-1.9 27,-2.2 25,-0.4 2,-0.6 -0.727 49.5-134.8-104.6 161.3 8.4 49.1 28.5 8 9 A R E +a 34 0A 49 -2,-0.3 80,-3.6 25,-0.2 81,-1.9 -0.909 28.4 174.3-121.8 108.4 8.9 45.4 28.2 9 10 A I E -ab 35 89A 2 25,-1.4 27,-1.1 -2,-0.6 2,-0.4 -0.906 21.3-149.0-117.5 139.9 6.5 43.6 26.0 10 11 A L E -ab 36 90A 1 79,-1.9 81,-2.3 -2,-0.4 2,-0.5 -0.849 19.4-161.0-103.1 142.2 6.4 40.0 24.9 11 12 A V E -ab 37 91A 0 25,-2.5 27,-1.9 -2,-0.4 2,-0.3 -0.975 7.9-173.7-131.9 125.4 4.9 39.3 21.5 12 13 A S E +a 38 0A 2 79,-1.0 81,-0.2 -2,-0.5 27,-0.1 -0.841 50.5 46.0-118.7 167.2 3.7 36.3 20.1 13 14 A G + 0 0 26 25,-0.6 8,-0.5 -2,-0.3 2,-0.5 0.746 56.4 151.5 88.8 26.3 2.4 35.0 16.8 14 15 A I + 0 0 4 24,-0.7 26,-0.3 -3,-0.2 -1,-0.3 -0.772 5.2 143.1 -88.6 125.1 4.9 36.2 14.1 15 16 A I + 0 0 71 1,-0.6 2,-0.2 -2,-0.5 -1,-0.2 0.611 66.3 4.8-120.7 -67.0 5.1 33.9 11.1 16 17 A T S > S- 0 0 30 33,-0.1 3,-1.0 34,-0.0 -1,-0.6 -0.464 84.1 -94.4-108.3-174.6 5.5 35.9 8.0 17 18 A D T 3 S+ 0 0 103 1,-0.2 -3,-0.0 -2,-0.2 178,-0.0 0.249 123.6 57.2 -90.1 13.5 6.0 39.5 7.4 18 19 A S T 3 S+ 0 0 30 4,-0.0 -1,-0.2 216,-0.0 -4,-0.0 0.354 77.9 119.1-116.4 1.6 2.3 39.9 6.9 19 20 A S S <> S- 0 0 8 -3,-1.0 4,-1.1 1,-0.1 -5,-0.1 -0.333 71.6-128.2 -62.8 147.2 1.4 38.4 10.3 20 21 A I H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.889 110.0 58.5 -68.1 -36.8 -0.4 40.9 12.4 21 22 A A H > S+ 0 0 0 -8,-0.5 4,-2.9 72,-0.3 -1,-0.2 0.859 98.1 62.5 -59.3 -35.7 2.1 40.3 15.3 22 23 A F H > S+ 0 0 19 -9,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.949 107.9 40.6 -56.6 -47.7 4.8 41.3 12.9 23 24 A H H X S+ 0 0 38 -4,-1.1 4,-2.4 -3,-0.3 5,-0.3 0.859 111.4 55.1 -70.5 -33.9 3.3 44.8 12.6 24 25 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.945 110.2 48.9 -62.8 -46.1 2.5 45.1 16.2 25 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.939 110.0 49.8 -55.1 -50.8 6.0 44.4 17.0 26 27 A R H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.963 114.4 42.8 -57.6 -56.4 7.4 46.9 14.5 27 28 A V H X S+ 0 0 10 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.885 111.1 57.4 -56.1 -39.0 5.2 49.8 15.7 28 29 A A H ><>S+ 0 0 1 -4,-2.8 5,-1.9 -5,-0.3 3,-1.1 0.984 108.5 46.8 -56.5 -51.6 5.9 48.8 19.3 29 30 A Q H ><5S+ 0 0 24 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.902 107.1 54.1 -55.9 -44.1 9.6 49.1 18.7 30 31 A E H 3<5S+ 0 0 112 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.734 106.9 58.9 -64.9 -15.7 9.3 52.5 16.9 31 32 A Q T <<5S- 0 0 60 -3,-1.1 -27,-2.3 -4,-1.0 -1,-0.3 0.275 124.7-100.5 -97.6 13.9 7.5 53.3 20.1 32 33 A G T < 5S+ 0 0 28 -3,-2.2 -26,-1.3 1,-0.3 -25,-0.4 0.457 73.8 141.4 91.3 -3.2 10.4 52.6 22.5 33 34 A A < - 0 0 11 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.3 -0.410 44.2-142.8 -70.7 158.0 9.2 49.2 23.6 34 35 A Q E -a 8 0A 85 -27,-2.2 -25,-1.4 -30,-0.2 2,-0.2 -0.987 29.0-159.2-122.7 115.8 11.8 46.5 24.2 35 36 A L E -a 9 0A 5 -2,-0.5 2,-0.3 21,-0.2 -25,-0.2 -0.530 27.9-162.6-100.9 174.8 10.5 43.1 23.1 36 37 A V E -a 10 0A 1 -27,-1.1 -25,-2.5 -2,-0.2 2,-0.3 -0.977 26.5-149.0-148.3 136.8 10.9 39.4 23.5 37 38 A L E -ac 11 59A 2 21,-3.2 23,-4.5 -2,-0.3 2,-0.3 -0.835 7.8-156.1-115.1 149.7 9.4 37.2 20.8 38 39 A T E -ac 12 60A 7 -27,-1.9 -24,-0.7 -2,-0.3 -25,-0.6 -0.905 15.0-175.1-118.3 149.8 7.9 33.7 20.8 39 40 A G E - c 0 61A 4 21,-2.4 23,-2.6 -2,-0.3 4,-0.1 -0.973 14.9-143.5-142.5 165.2 7.6 31.5 17.9 40 41 A F - 0 0 104 -2,-0.4 3,-0.2 -26,-0.3 -1,-0.2 0.962 62.9 -29.1 -98.3 -73.6 6.2 28.3 17.0 41 42 A D S S+ 0 0 99 1,-0.2 2,-1.0 21,-0.1 3,-0.2 0.708 117.8 58.6-131.8 -21.0 7.5 25.7 14.7 42 43 A R > + 0 0 151 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.728 61.9 163.6-104.9 76.7 9.6 27.2 11.9 43 44 A L H > S+ 0 0 45 -2,-1.0 4,-3.0 2,-0.2 -1,-0.2 0.918 70.0 49.0 -69.8 -38.8 12.1 28.9 14.2 44 45 A R H > S+ 0 0 212 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.877 113.5 49.4 -67.0 -35.2 14.8 29.6 11.6 45 46 A L H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 114.1 43.2 -63.8 -50.9 12.2 31.1 9.3 46 47 A I H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.872 113.1 56.1 -62.2 -38.1 10.7 33.3 12.1 47 48 A Q H X S+ 0 0 76 -4,-3.0 4,-0.8 -5,-0.2 3,-0.3 0.995 108.9 44.1 -54.8 -63.7 14.3 34.1 13.0 48 49 A R H >< S+ 0 0 138 -4,-2.8 3,-0.5 1,-0.3 4,-0.2 0.791 115.7 49.1 -45.7 -45.3 15.2 35.3 9.5 49 50 A I H >< S+ 0 0 11 -4,-2.4 3,-2.0 1,-0.2 4,-0.3 0.933 102.6 58.7 -63.0 -51.5 12.0 37.3 9.2 50 51 A T H >< S+ 0 0 11 -4,-2.6 3,-0.9 -3,-0.3 5,-0.3 0.611 91.2 74.2 -58.6 -13.1 12.3 39.0 12.5 51 52 A D T << S+ 0 0 91 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.642 83.7 63.6 -73.7 -20.1 15.6 40.5 11.5 52 53 A R T < S+ 0 0 180 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.719 81.7 113.5 -78.5 -11.5 14.0 43.0 9.3 53 54 A L S < S- 0 0 12 -3,-0.9 -27,-0.0 -4,-0.3 4,-0.0 -0.149 87.8-108.3 -57.3 146.9 12.5 44.3 12.5 54 55 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.486 97.0 10.7 -57.5 -3.4 13.7 47.8 13.3 55 56 A A S S- 0 0 46 -5,-0.3 -26,-0.1 2,-0.0 -2,-0.1 -0.952 89.3 -81.5-174.4 152.9 15.7 46.4 16.2 56 57 A K + 0 0 197 -2,-0.3 -21,-0.2 -4,-0.0 -5,-0.1 -0.285 39.5 176.6 -68.5 147.7 16.9 43.1 17.8 57 58 A A - 0 0 17 -23,-0.1 -21,-0.2 -2,-0.0 2,-0.1 -0.992 32.6-113.3-153.1 136.4 14.8 40.9 20.0 58 59 A P - 0 0 60 0, 0.0 -21,-3.2 0, 0.0 2,-0.5 -0.425 33.4-146.6 -67.4 145.8 15.4 37.5 21.7 59 60 A L E -c 37 0A 40 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.948 11.6-164.6-118.4 127.6 13.2 34.9 20.3 60 61 A L E -c 38 0A 19 -23,-4.5 -21,-2.4 -2,-0.5 2,-0.3 -0.888 20.3-124.2-114.3 144.0 11.8 32.0 22.4 61 62 A E E +c 39 0A 99 -2,-0.4 2,-0.2 -23,-0.2 -21,-0.2 -0.577 37.9 164.9 -77.5 144.3 10.3 28.9 21.1 62 63 A L - 0 0 6 -23,-2.6 2,-0.8 -2,-0.3 -21,-0.1 -0.668 24.4-168.7-164.3 108.7 6.8 28.2 22.5 63 64 A D > - 0 0 36 -2,-0.2 3,-3.0 1,-0.1 7,-0.2 -0.863 21.9-145.9 -99.8 112.1 4.2 25.9 21.3 64 65 A V T 3 S+ 0 0 9 -2,-0.8 -1,-0.1 1,-0.3 64,-0.1 0.647 98.0 56.9 -53.3 -16.7 1.1 26.9 23.2 65 66 A Q T 3 S+ 0 0 66 1,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.317 87.0 100.0 -95.4 5.6 -0.1 23.3 23.4 66 67 A N <> - 0 0 56 -3,-3.0 4,-2.4 1,-0.2 3,-0.3 -0.833 59.3-156.7-103.6 107.0 3.2 22.2 25.1 67 68 A E H > S+ 0 0 176 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.846 94.2 45.0 -41.5 -50.1 3.2 21.7 28.9 68 69 A E H > S+ 0 0 140 2,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.908 107.6 54.9 -66.5 -46.5 6.9 22.2 29.3 69 70 A H H 4 S+ 0 0 31 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.899 114.7 44.3 -52.4 -43.1 7.2 25.2 27.1 70 71 A L H >< S+ 0 0 31 -4,-2.4 3,-1.4 -7,-0.2 4,-0.5 0.951 111.2 50.3 -70.6 -47.5 4.6 26.7 29.3 71 72 A A H 3< S+ 0 0 87 -4,-3.1 4,-0.3 1,-0.3 3,-0.2 0.864 117.6 42.6 -57.9 -37.3 6.1 25.6 32.6 72 73 A S T 3X S+ 0 0 40 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.3 0.449 87.2 97.0 -86.3 -6.0 9.5 27.0 31.5 73 74 A L H <> S+ 0 0 1 -3,-1.4 4,-3.1 -4,-0.5 5,-0.2 0.908 82.7 45.4 -54.0 -52.4 8.3 30.3 30.0 74 75 A A H > S+ 0 0 25 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.904 112.2 54.1 -59.9 -42.2 8.8 32.7 32.8 75 76 A G H >> S+ 0 0 43 -4,-0.3 4,-2.1 1,-0.2 3,-1.5 0.987 112.1 44.0 -53.8 -62.9 12.2 31.3 33.5 76 77 A R H 3X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.856 110.3 55.4 -49.1 -44.6 13.3 31.8 29.9 77 78 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 5,-0.3 0.830 109.9 46.2 -64.7 -26.5 11.7 35.3 29.7 78 79 A T H < - 0 0 24 -4,-1.2 3,-1.6 -5,-0.3 -3,-0.2 0.581 31.1 -65.3 82.7 130.7 17.4 39.7 32.6 83 84 A A T 3 S+ 0 0 94 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 0.010 117.9 40.6 -46.4 135.4 16.8 39.1 36.3 84 85 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.092 101.1 92.5 106.6 -22.5 15.5 42.0 38.3 85 86 A N < - 0 0 61 -3,-1.6 -1,-0.3 -7,-0.2 2,-0.3 -0.784 54.6-158.2-107.6 155.0 13.1 43.0 35.5 86 87 A K - 0 0 82 -2,-0.3 51,-0.2 -3,-0.1 2,-0.2 -0.836 24.7 -96.6-128.3 168.2 9.5 42.3 34.7 87 88 A L E - d 0 137A 0 49,-1.9 51,-2.8 -2,-0.3 -78,-0.2 -0.432 21.8-174.3 -74.2 146.3 7.1 42.4 31.7 88 89 A D E S+ 0 0 20 -80,-3.6 54,-2.0 1,-0.4 2,-0.3 0.562 72.7 17.8-114.4 -21.4 4.8 45.3 31.2 89 90 A G E -bd 9 142A 0 -81,-1.9 -79,-1.9 52,-0.2 -1,-0.4 -0.995 56.4-165.2-149.5 150.3 2.8 43.9 28.3 90 91 A V E -bd 10 143A 4 52,-1.7 54,-2.1 -2,-0.3 2,-0.5 -0.995 12.2-153.2-134.5 130.7 2.1 40.5 26.8 91 92 A V E -bd 11 144A 0 -81,-2.3 -79,-1.0 -2,-0.4 2,-1.0 -0.890 5.7-164.9-111.4 126.4 0.5 40.0 23.2 92 93 A H E + d 0 145A 4 52,-4.0 54,-1.1 -2,-0.5 -79,-0.1 -0.841 24.9 156.0-103.0 98.3 -1.5 36.9 22.3 93 94 A S + 0 0 18 -2,-1.0 2,-0.4 52,-0.2 -72,-0.3 -0.298 37.4 110.4-114.7 46.9 -1.6 37.1 18.5 94 95 A I + 0 0 34 28,-0.1 2,-0.3 27,-0.1 52,-0.2 -0.898 28.8 138.8-129.7 157.0 -2.2 33.6 17.8 95 96 A G - 0 0 41 -2,-0.4 2,-0.3 -82,-0.0 27,-0.1 -0.953 13.4-177.2-175.9 164.4 -4.8 31.2 16.6 96 97 A F - 0 0 94 22,-0.3 26,-0.2 -2,-0.3 25,-0.2 -0.942 6.8-170.7-172.7 147.1 -5.6 28.2 14.5 97 98 A M - 0 0 16 -2,-0.3 18,-0.1 24,-0.1 17,-0.1 -0.968 34.1-109.4-149.3 126.3 -8.4 25.9 13.2 98 99 A P > - 0 0 11 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.121 35.0-112.8 -49.4 149.2 -8.1 22.6 11.3 99 100 A Q G >> S+ 0 0 116 1,-0.3 4,-1.6 2,-0.2 3,-1.1 0.786 115.0 65.0 -60.1 -28.8 -9.3 22.9 7.7 100 101 A T G 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 9,-0.1 0.714 98.2 52.2 -69.7 -22.3 -12.2 20.7 8.5 101 102 A G G <4 S+ 0 0 0 -3,-1.8 58,-2.2 1,-0.1 59,-0.7 0.260 118.8 27.3 -99.5 16.9 -13.8 23.3 10.9 102 103 A M T <4 S+ 0 0 44 -3,-1.1 56,-0.6 56,-0.2 -2,-0.2 0.703 98.1 48.0-142.3 -59.7 -13.7 26.1 8.7 103 104 A G S < S- 0 0 4 -4,-1.6 55,-0.2 54,-0.1 53,-0.2 0.904 110.0 -30.2 -66.7 -98.9 -13.8 26.3 5.1 104 105 A I S S+ 0 0 73 102,-0.5 3,-0.1 -5,-0.2 103,-0.1 0.765 100.7 104.1 -90.5 -45.4 -16.1 24.6 2.7 105 106 A N S S- 0 0 50 -6,-0.3 5,-0.1 101,-0.1 51,-0.1 -0.215 86.6 -98.7 -47.8 124.7 -16.7 21.4 4.8 106 107 A P > - 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