==== 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 18-AUG-05 2AQH . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.S.OLIVEIRA,J.H.PEREIRA,N.C.RODRIGUES,F.CANDURI,O.N.DE SOUZ . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.3 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 . 1 0.4 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.1 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 0 0 1 1 0 1 3 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 T 0 0 97 0, 0.0 2,-0.4 0, 0.0 31,-0.3 0.000 360.0 360.0 360.0 159.8 -11.6 -54.4 21.9 2 3 A G > + 0 0 48 30,-0.1 3,-1.7 1,-0.1 29,-0.1 -0.968 360.0 8.9 123.5-139.8 -7.8 -55.4 22.1 3 4 A L T 3 S+ 0 0 64 -2,-0.4 244,-0.4 1,-0.3 29,-0.1 0.801 137.1 28.2 -56.6 -34.9 -4.6 -53.7 23.1 4 5 A L T > S+ 0 0 0 27,-2.4 3,-2.1 24,-0.2 -1,-0.3 -0.024 81.7 159.3-119.4 27.4 -6.2 -50.6 24.6 5 6 A D T < S+ 0 0 109 -3,-1.7 28,-0.2 1,-0.3 27,-0.1 -0.294 73.5 4.9 -64.6 126.0 -9.6 -52.0 25.7 6 7 A G T 3 S+ 0 0 53 26,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.309 96.6 132.3 87.3 -10.6 -11.2 -49.8 28.3 7 8 A K < - 0 0 27 -3,-2.1 27,-3.1 81,-0.1 2,-0.5 -0.554 49.4-146.6 -78.9 139.0 -8.5 -47.1 28.1 8 9 A R E -a 34 0A 69 -2,-0.2 80,-3.6 78,-0.2 81,-1.9 -0.938 26.4-178.4-102.3 123.1 -9.6 -43.5 27.8 9 10 A I E -ab 35 89A 0 25,-2.5 27,-1.9 -2,-0.5 2,-0.5 -0.982 24.9-145.3-136.8 126.9 -7.1 -41.7 25.7 10 11 A L E -ab 36 90A 0 79,-2.6 81,-2.6 -2,-0.4 2,-0.5 -0.772 18.0-166.7 -89.2 128.4 -6.8 -38.1 24.6 11 12 A V E -ab 37 91A 0 25,-2.7 27,-1.9 -2,-0.5 3,-0.3 -0.969 7.2-177.5-121.3 110.0 -5.3 -37.7 21.1 12 13 A S + 0 0 1 79,-2.5 27,-0.2 -2,-0.5 13,-0.1 -0.516 52.5 54.7 -86.5 168.6 -4.2 -34.3 20.0 13 14 A G + 0 0 22 25,-0.4 2,-0.5 1,-0.3 8,-0.4 0.509 56.2 142.1 92.5 5.5 -2.8 -33.3 16.6 14 15 A I + 0 0 3 24,-0.8 26,-0.4 -3,-0.3 -1,-0.3 -0.703 5.9 143.6 -76.4 126.4 -5.3 -34.4 14.0 15 16 A I S S+ 0 0 56 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.513 70.6 4.3-124.8 -35.2 -5.5 -31.8 11.3 16 17 A T S > S- 0 0 28 33,-0.1 3,-1.1 34,-0.0 -1,-0.6 -0.825 82.2 -95.8-137.4 178.6 -6.0 -34.0 8.2 17 18 A D T 3 S+ 0 0 98 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.598 124.3 56.2 -76.2 -9.0 -6.5 -37.7 7.4 18 19 A S T 3 S+ 0 0 35 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.457 78.9 121.9 -99.7 -0.3 -2.8 -38.0 6.8 19 20 A S S X> S- 0 0 8 -3,-1.1 4,-1.3 1,-0.1 3,-1.1 -0.339 71.6-129.4 -50.6 131.4 -1.9 -36.5 10.3 20 21 A V H 3> S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.900 111.2 57.8 -49.4 -41.0 0.2 -39.0 12.2 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.7 72,-0.2 -1,-0.2 0.733 96.3 62.0 -67.1 -22.9 -2.4 -38.5 15.0 22 23 A F H <> S+ 0 0 17 -3,-1.1 4,-2.9 -9,-0.2 -1,-0.2 0.938 108.7 41.5 -66.4 -44.4 -5.2 -39.6 12.7 23 24 A H H X S+ 0 0 38 -4,-1.3 4,-2.8 -3,-0.3 5,-0.3 0.868 112.7 53.3 -71.1 -38.8 -3.6 -43.0 12.4 24 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.945 112.7 46.3 -56.2 -49.0 -2.8 -43.1 16.1 25 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.944 113.4 48.8 -58.2 -49.4 -6.5 -42.4 16.8 26 27 A R H X S+ 0 0 52 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.943 114.3 43.3 -58.1 -53.1 -7.6 -45.0 14.3 27 28 A V H X S+ 0 0 8 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.913 112.2 53.9 -61.4 -42.4 -5.4 -47.7 15.6 28 29 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.3 -24,-0.2 0.921 111.3 46.1 -59.2 -45.1 -6.2 -46.9 19.2 29 30 A Q H ><5S+ 0 0 18 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.911 108.8 54.2 -62.5 -43.7 -9.9 -47.2 18.4 30 31 A E H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.7 52.9 -58.3 -28.2 -9.4 -50.4 16.6 31 32 A Q T 3<5S- 0 0 63 -4,-1.7 -27,-2.4 -5,-0.2 -1,-0.3 0.240 127.6 -96.2 -95.5 11.3 -7.7 -51.6 19.8 32 33 A G T < 5S+ 0 0 14 -3,-2.0 -26,-1.4 1,-0.3 -3,-0.2 0.420 73.1 144.1 101.0 -1.2 -10.6 -50.7 22.1 33 34 A A < - 0 0 9 -5,-2.5 2,-0.6 -28,-0.2 -1,-0.3 -0.404 45.5-136.1 -72.9 148.3 -9.6 -47.3 23.3 34 35 A Q E -a 8 0A 67 -27,-3.1 -25,-2.5 -30,-0.2 2,-0.3 -0.933 32.2-147.4-100.0 122.6 -12.2 -44.6 23.9 35 36 A L E -a 9 0A 3 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.643 27.8-172.3-103.6 148.4 -11.0 -41.3 22.5 36 37 A V E -a 10 0A 0 -27,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.990 25.9-156.3-118.9 132.6 -11.2 -37.7 23.3 37 38 A L E -ac 11 59A 0 21,-3.4 23,-3.1 -2,-0.4 2,-0.4 -0.799 8.5-157.0-109.1 148.5 -9.6 -35.6 20.5 38 39 A T E - c 0 60A 4 -27,-1.9 -24,-0.8 -2,-0.3 -25,-0.4 -0.960 11.9-172.5-119.8 150.0 -8.3 -32.2 20.6 39 40 A G E - c 0 61A 2 21,-2.1 23,-2.9 -2,-0.4 4,-0.1 -0.959 12.7-144.0-142.2 149.4 -8.0 -30.1 17.6 40 41 A F - 0 0 86 -26,-0.4 3,-0.2 -2,-0.3 -1,-0.2 0.909 66.1 -20.9 -92.6 -84.6 -6.3 -26.8 17.1 41 42 A D S S+ 0 0 80 1,-0.2 2,-1.1 21,-0.1 3,-0.2 0.928 121.3 52.4-105.1 -35.7 -7.7 -24.1 14.8 42 43 A R > + 0 0 125 1,-0.2 4,-2.7 2,-0.1 -1,-0.2 -0.682 57.6 164.7-105.4 76.9 -10.0 -25.6 12.2 43 44 A L H > S+ 0 0 55 -2,-1.1 4,-3.0 -3,-0.2 -1,-0.2 0.823 74.6 54.3 -68.5 -33.9 -12.5 -27.5 14.3 44 45 A R H > S+ 0 0 230 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.954 112.3 44.8 -63.9 -51.3 -15.1 -27.9 11.6 45 46 A L H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.955 114.6 48.9 -50.7 -53.1 -12.4 -29.4 9.3 46 47 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.901 109.7 51.4 -63.5 -39.7 -11.1 -31.6 12.1 47 48 A Q H X S+ 0 0 76 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.948 111.1 47.8 -59.5 -46.3 -14.6 -32.8 13.0 48 49 A R H < S+ 0 0 133 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.907 114.0 48.4 -62.3 -42.7 -15.3 -33.7 9.4 49 50 A I H >< S+ 0 0 11 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.931 110.8 48.9 -59.1 -50.3 -11.9 -35.5 9.2 50 51 A T H >< S+ 0 0 6 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.695 89.2 82.2 -76.0 -12.6 -12.4 -37.5 12.4 51 52 A D T 3< S+ 0 0 104 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.810 87.8 59.5 -50.5 -29.5 -15.9 -38.5 11.3 52 53 A R T < S+ 0 0 164 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.536 79.0 111.4 -83.2 -5.4 -13.9 -41.2 9.4 53 54 A L S < S- 0 0 8 -3,-2.2 -27,-0.1 1,-0.1 -30,-0.0 -0.324 86.9-109.8 -57.7 148.5 -12.4 -42.6 12.5 54 55 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.803 101.2 26.2 -53.7 -28.0 -13.8 -46.2 13.3 55 56 A A S S- 0 0 39 -5,-0.1 -2,-0.1 -29,-0.0 2,-0.1 -0.940 90.2 -99.6-136.4 156.4 -15.7 -44.6 16.3 56 57 A K - 0 0 189 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.405 40.4-177.9 -68.9 146.3 -17.1 -41.3 17.3 57 58 A A - 0 0 13 -2,-0.1 -21,-0.2 -23,-0.1 -4,-0.1 -0.967 31.0-108.6-150.7 132.6 -15.0 -39.3 19.7 58 59 A P - 0 0 56 0, 0.0 -21,-3.4 0, 0.0 2,-0.5 -0.338 32.5-145.3 -59.3 143.2 -15.6 -35.9 21.3 59 60 A L E -c 37 0A 31 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.963 14.7-170.5-117.2 127.0 -13.5 -33.2 19.9 60 61 A L E -c 38 0A 24 -23,-3.1 -21,-2.1 -2,-0.5 2,-0.3 -0.930 26.2-116.0-119.0 140.4 -12.2 -30.4 22.1 61 62 A E E +c 39 0A 77 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.549 37.1 173.5 -73.6 134.1 -10.5 -27.2 21.0 62 63 A L + 0 0 6 -23,-2.9 2,-0.8 -2,-0.3 -21,-0.1 -0.830 16.7 179.4-146.9 105.1 -6.9 -27.0 22.2 63 64 A D > - 0 0 36 -2,-0.3 3,-2.3 3,-0.1 7,-0.2 -0.937 21.1-153.1 -97.2 112.8 -4.6 -24.3 21.1 64 65 A V T 3 S+ 0 0 5 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.695 93.4 55.9 -68.1 -16.4 -1.5 -25.2 23.0 65 66 A Q T 3 S+ 0 0 55 1,-0.0 2,-0.8 -3,-0.0 -1,-0.3 0.464 88.8 90.6 -89.7 -1.3 -0.4 -21.6 23.0 66 67 A N <> - 0 0 40 -3,-2.3 4,-1.7 1,-0.2 3,-0.2 -0.855 61.4-163.0-102.9 108.4 -3.7 -20.5 24.6 67 68 A E H > S+ 0 0 151 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.839 90.6 53.9 -60.9 -34.8 -3.4 -20.5 28.4 68 69 A E H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 105.6 53.1 -68.1 -38.7 -7.2 -20.5 28.9 69 70 A H H > S+ 0 0 15 -6,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.901 114.1 42.8 -60.4 -43.0 -7.6 -23.5 26.6 70 71 A L H X S+ 0 0 26 -4,-1.7 4,-0.6 -7,-0.2 -2,-0.2 0.863 112.8 52.7 -71.1 -37.8 -5.1 -25.4 28.8 71 72 A A H < S+ 0 0 89 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.848 117.8 37.5 -66.5 -36.6 -6.6 -24.1 32.0 72 73 A S H X S+ 0 0 36 -4,-2.5 4,-2.2 -5,-0.2 3,-0.4 0.621 95.0 94.4 -86.8 -11.2 -10.0 -25.3 30.9 73 74 A L H X S+ 0 0 0 -4,-0.7 4,-2.6 1,-0.2 5,-0.2 0.870 81.1 46.7 -56.6 -52.4 -8.7 -28.4 29.3 74 75 A A H X S+ 0 0 19 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.872 113.4 49.1 -60.5 -38.5 -9.1 -31.0 32.1 75 76 A G H > S+ 0 0 41 -3,-0.4 4,-3.1 -4,-0.3 -1,-0.2 0.947 111.8 49.4 -65.8 -43.8 -12.7 -29.9 33.0 76 77 A R H X S+ 0 0 48 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 112.2 48.3 -59.6 -40.2 -13.7 -30.1 29.3 77 78 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.906 110.9 50.4 -68.1 -40.9 -12.1 -33.6 29.1 78 79 A T H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 109.4 51.1 -61.4 -43.8 -14.0 -34.6 32.3 79 80 A E H < S+ 0 0 160 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.937 112.5 48.5 -52.7 -47.4 -17.2 -33.3 30.8 80 81 A A H < S+ 0 0 37 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.824 121.7 31.2 -66.7 -35.9 -16.5 -35.4 27.7 81 82 A I H < S- 0 0 9 -4,-2.2 -1,-0.2 4,-0.1 -2,-0.2 0.519 118.9-100.3-102.9 -10.3 -15.6 -38.7 29.5 82 83 A G >< - 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0 0 15 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.950 37.2-112.3-144.7 128.0 7.9 -24.3 13.2 98 99 A P > - 0 0 14 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.180 34.7-107.6 -53.8 153.7 7.5 -21.2 11.1 99 100 A Q G > S+ 0 0 135 1,-0.3 3,-2.0 2,-0.2 6,-0.3 0.808 118.4 64.6 -55.7 -35.6 8.9 -21.4 7.6 100 101 A T G 3 S+ 0 0 39 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.776 98.2 56.9 -60.5 -25.7 11.8 -19.1 8.5 101 102 A G G < S+ 0 0 0 -3,-2.0 58,-2.1 57,-0.1 59,-0.6 0.372 112.2 42.9 -86.6 5.2 12.9 -21.9 10.9 102 103 A M S X S+ 0 0 32 -3,-2.0 3,-1.0 56,-0.2 55,-0.2 -0.838 91.4 8.4-140.4 175.6 13.2 -24.4 8.2 103 104 A G T 3 S- 0 0 5 53,-3.1 53,-0.3 -2,-0.3 104,-0.2 -0.122 116.1 -11.9 61.9-143.1 14.1 -25.5 4.7 104 105 A I T 3 S+ 0 0 69 102,-2.9 -1,-0.2 51,-0.1 103,-0.1 0.692 101.2 108.2 -71.1 -24.3 16.2 -23.2 2.5 105 106 A N S < S- 0 0 54 -3,-1.0 5,-0.1 -6,-0.3 51,-0.1 -0.435 90.1-100.6 -53.1 119.6 15.8 -20.1 4.9 106 107 A P > - 0 0 70 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.184 23.5-125.0 -46.9 134.3 19.3 -19.9 6.3 107 108 A F G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.883 111.9 53.1 -47.7 -44.9 19.5 -21.4 9.8 108 109 A F G 3 S+ 0 0 185 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.655 100.6 63.5 -68.5 -18.0 21.0 -18.1 11.1 109 110 A D G < + 0 0 100 -3,-1.6 -1,-0.2 -9,-0.1 -2,-0.2 0.457 69.0 110.1 -90.3 -1.2 18.1 -16.1 9.6 110 111 A A S < S- 0 0 11 -3,-1.3 2,-0.1 -4,-0.3 -9,-0.1 -0.653 71.6-130.3 -74.3 117.2 15.3 -17.6 11.7 111 112 A P >> - 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