==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-SEP-05 2B35 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.J.SULLIVAN,J.J.TRUGLIO,P.NOVICHENOK,C.STRATTON,X.ZHANG, . 1500 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 205 13.7 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 . 1 0.1 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 . 5 0.3 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 . 107 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 474 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.9 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 3 2 0 4 6 5 18 0 1 2 3 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 13 5 12 6 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 6 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 0 188 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 147.7 2.9 -0.6 38.3 2 3 A G > - 0 0 21 29,-0.2 3,-1.2 1,-0.0 29,-0.1 -0.506 360.0-100.9-107.1 171.4 4.1 0.4 34.8 3 4 A L T 3 S+ 0 0 60 1,-0.3 230,-0.3 -2,-0.2 29,-0.1 0.767 118.0 33.6 -56.8 -34.6 3.8 -0.9 31.3 4 5 A L T > S+ 0 0 0 27,-1.6 3,-1.9 24,-0.2 -1,-0.3 -0.169 79.8 168.5-122.5 37.6 7.2 -2.5 31.1 5 6 A D T < S- 0 0 83 -3,-1.2 28,-0.2 1,-0.3 27,-0.1 -0.335 72.6 -3.0 -66.7 127.6 7.7 -3.8 34.7 6 7 A G T 3 S+ 0 0 52 26,-1.6 2,-0.4 1,-0.2 -1,-0.3 0.421 97.6 133.9 73.5 0.8 10.6 -6.2 35.1 7 8 A K < - 0 0 30 -3,-1.9 27,-2.2 25,-0.3 2,-0.6 -0.680 50.1-142.8 -85.8 131.8 11.4 -6.1 31.4 8 9 A R E -a 34 0A 51 -2,-0.4 80,-3.1 78,-0.3 81,-1.6 -0.847 25.2-175.2 -96.0 122.1 15.1 -5.7 30.5 9 10 A I E -ab 35 89A 0 25,-2.3 27,-1.6 -2,-0.6 2,-0.5 -0.967 21.2-146.4-129.8 123.8 15.4 -3.5 27.4 10 11 A L E -ab 36 90A 0 79,-2.1 81,-3.8 -2,-0.5 2,-0.5 -0.762 18.5-168.6 -82.3 124.6 18.4 -2.5 25.3 11 12 A V E -ab 37 91A 0 25,-2.9 27,-1.8 -2,-0.5 2,-0.2 -0.978 5.4-178.1-119.3 119.8 18.1 1.0 23.8 12 13 A S + 0 0 0 79,-2.2 27,-0.1 -2,-0.5 25,-0.0 -0.677 51.9 56.6-100.8 162.7 20.5 2.3 21.1 13 14 A G + 0 0 22 25,-0.4 2,-0.7 1,-0.3 8,-0.4 0.552 54.7 142.3 99.1 12.1 20.7 5.7 19.5 14 15 A I + 0 0 6 24,-0.7 -1,-0.3 -3,-0.2 26,-0.3 -0.763 5.6 141.4 -82.5 117.5 21.1 8.3 22.2 15 16 A I S S+ 0 0 67 -2,-0.7 2,-0.2 1,-0.5 -1,-0.2 0.576 73.5 4.5-118.3 -43.3 23.4 11.0 21.1 16 17 A T S > S- 0 0 40 33,-0.1 3,-0.8 30,-0.0 -1,-0.5 -0.801 78.2-101.1-127.6 179.8 21.6 14.0 22.7 17 18 A D T 3 S+ 0 0 64 -2,-0.2 -3,-0.0 1,-0.2 6,-0.0 0.564 120.9 60.7 -76.3 -8.6 18.5 14.7 24.9 18 19 A S T 3 S+ 0 0 48 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.568 80.7 112.8 -86.9 -15.0 16.6 15.6 21.7 19 20 A S S X> S- 0 0 9 -3,-0.8 4,-1.0 1,-0.1 3,-0.9 -0.241 75.9-127.8 -55.1 145.0 17.1 12.1 20.3 20 21 A I H 3> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.800 110.8 60.4 -65.6 -29.2 14.0 10.0 20.0 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.649 95.7 60.5 -73.9 -18.0 15.9 7.3 21.9 22 23 A F H <> S+ 0 0 17 -3,-0.9 4,-3.3 -9,-0.2 -1,-0.2 0.910 110.0 41.5 -71.5 -42.4 16.3 9.6 24.9 23 24 A H H X S+ 0 0 37 -4,-1.0 4,-3.0 2,-0.2 5,-0.3 0.867 113.3 52.2 -73.2 -37.9 12.5 9.8 25.2 24 25 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.929 115.2 43.1 -60.7 -47.2 12.0 6.1 24.5 25 26 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.965 114.5 50.4 -61.2 -52.1 14.5 5.4 27.3 26 27 A R H X S+ 0 0 52 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.896 115.9 41.4 -51.7 -48.8 13.0 8.1 29.5 27 28 A V H X S+ 0 0 7 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.874 111.4 55.3 -74.0 -37.4 9.5 6.7 29.1 28 29 A A H <>S+ 0 0 0 -4,-2.6 5,-1.8 -5,-0.3 -24,-0.2 0.916 110.5 45.8 -59.7 -42.2 10.6 3.0 29.3 29 30 A Q H ><5S+ 0 0 19 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.888 107.4 57.6 -70.0 -37.5 12.2 3.7 32.7 30 31 A E H 3<5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.888 105.8 52.6 -55.5 -39.4 9.1 5.7 33.9 31 32 A Q T 3<5S- 0 0 64 -4,-2.0 -27,-1.6 -29,-0.1 -1,-0.3 0.194 129.5 -95.5 -85.2 16.3 7.2 2.4 33.1 32 33 A G T < 5S+ 0 0 31 -3,-1.9 -26,-1.6 1,-0.3 2,-0.3 0.737 72.3 150.7 84.2 25.1 9.5 0.2 35.3 33 34 A A < - 0 0 11 -5,-1.8 2,-0.7 -28,-0.2 -1,-0.3 -0.689 43.3-134.8 -92.8 144.0 11.9 -1.0 32.6 34 35 A Q E -a 8 0A 77 -27,-2.2 -25,-2.3 -2,-0.3 2,-0.3 -0.878 32.0-152.6-100.5 111.4 15.5 -1.9 33.3 35 36 A L E -a 9 0A 7 -2,-0.7 2,-0.4 21,-0.3 -25,-0.2 -0.610 26.5-172.2 -96.9 147.5 17.7 -0.4 30.6 36 37 A V E -a 10 0A 1 -27,-1.6 -25,-2.9 -2,-0.3 2,-0.3 -0.972 24.9-160.0-119.2 138.5 21.0 -1.2 28.9 37 38 A L E -ac 11 59A 3 21,-2.7 23,-3.2 -2,-0.4 2,-0.3 -0.897 8.4-163.3-124.2 146.8 22.0 1.6 26.6 38 39 A T E - c 0 60A 1 -27,-1.8 -24,-0.7 -2,-0.3 -25,-0.4 -0.906 5.7-171.9-125.2 159.5 24.5 1.7 23.7 39 40 A G E - c 0 61A 5 21,-1.6 23,-3.0 -2,-0.3 -24,-0.1 -0.954 18.8-136.6-149.4 168.0 26.2 4.6 21.9 40 41 A F S S- 0 0 121 -2,-0.3 -1,-0.1 -26,-0.3 3,-0.1 0.970 71.0 -35.2 -96.1 -64.4 28.4 5.2 18.8 41 42 A D S S+ 0 0 114 21,-0.1 2,-2.9 20,-0.1 3,-0.2 0.622 116.3 66.8-130.9 -63.5 31.4 7.5 19.2 42 43 A R > + 0 0 132 1,-0.2 4,-1.9 2,-0.1 3,-0.4 -0.306 57.9 155.7 -72.8 63.7 30.9 10.6 21.5 43 44 A L H > + 0 0 30 -2,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.809 64.8 57.7 -65.4 -34.9 30.6 8.4 24.6 44 45 A R H > S+ 0 0 139 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.884 108.7 47.0 -63.1 -41.9 31.7 11.0 27.1 45 46 A L H > S+ 0 0 52 -3,-0.4 4,-1.7 1,-0.2 3,-0.3 0.943 110.9 49.7 -63.9 -48.6 28.9 13.3 26.0 46 47 A I H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.635 101.6 63.9 -75.2 -11.9 26.2 10.6 26.1 47 48 A Q H X S+ 0 0 9 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.944 109.0 40.5 -68.3 -46.1 27.4 9.6 29.6 48 49 A R H X S+ 0 0 137 -4,-1.2 4,-0.5 -3,-0.3 -2,-0.2 0.786 115.7 52.5 -68.2 -32.0 26.3 13.1 30.8 49 50 A I H >< S+ 0 0 10 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.961 109.1 47.0 -67.6 -52.6 23.2 12.9 28.6 50 51 A T H >< S+ 0 0 11 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.568 99.4 69.8 -72.2 -9.6 21.9 9.6 29.9 51 52 A D H 3< S+ 0 0 71 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.760 89.4 64.1 -71.1 -28.5 22.6 10.9 33.5 52 53 A R T << S+ 0 0 153 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.314 85.6 103.8 -77.1 8.2 19.6 13.2 32.8 53 54 A L S < S- 0 0 12 -3,-0.8 -30,-0.0 2,-0.1 -27,-0.0 -0.611 87.4-112.1 -85.8 153.0 17.5 10.0 32.6 54 55 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.849 94.4 23.2 -50.7 -45.1 15.2 9.0 35.4 55 56 A A S S- 0 0 50 -5,-0.1 -2,-0.1 1,-0.0 -26,-0.1 -0.875 86.6 -96.3-128.9 158.3 17.3 5.8 36.4 56 57 A K + 0 0 111 -2,-0.3 -21,-0.3 1410,-0.0 -5,-0.1 -0.314 41.4 173.1 -72.0 156.3 20.8 4.5 36.1 57 58 A A - 0 0 18 -23,-0.1 -21,-0.2 -4,-0.0 -4,-0.1 -0.896 36.3-102.8-165.9 129.7 21.7 2.1 33.3 58 59 A P - 0 0 48 0, 0.0 -21,-2.7 0, 0.0 2,-0.5 -0.315 34.3-145.7 -57.9 142.6 24.9 0.6 32.0 59 60 A L E -c 37 0A 17 624,-0.6 2,-0.2 -23,-0.2 -21,-0.2 -0.956 18.3-176.8-121.7 114.8 26.2 2.2 28.8 60 61 A L E -c 38 0A 14 -23,-3.2 -21,-1.6 -2,-0.5 2,-0.4 -0.700 26.0-114.3-108.3 163.8 28.0 0.2 26.2 61 62 A E E +c 39 0A 57 -23,-0.2 2,-0.2 -2,-0.2 -21,-0.2 -0.810 34.7 169.6-100.8 135.5 29.7 1.1 22.9 62 63 A L + 0 0 4 -23,-3.0 2,-0.6 -2,-0.4 -21,-0.1 -0.746 15.0 177.6-155.7 95.5 28.2 -0.1 19.6 63 64 A D - 0 0 35 -2,-0.2 3,-0.4 1,-0.1 6,-0.2 -0.920 22.8-151.8 -90.1 118.9 29.3 1.1 16.2 64 65 A V S S+ 0 0 6 -2,-0.6 -1,-0.1 1,-0.2 64,-0.1 0.574 95.4 56.8 -78.5 -9.4 27.1 -1.0 13.9 65 66 A Q S S+ 0 0 61 4,-0.0 2,-0.4 5,-0.0 -1,-0.2 0.745 88.6 92.5 -80.5 -29.0 29.8 -0.8 11.2 66 67 A N > - 0 0 50 -3,-0.4 4,-1.1 1,-0.2 -3,-0.1 -0.528 61.2-163.9 -73.8 121.6 32.3 -2.3 13.7 67 68 A E H > S+ 0 0 110 -2,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.740 88.5 52.5 -80.7 -26.4 32.4 -6.1 13.3 68 69 A E H > S+ 0 0 154 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 104.6 56.2 -74.0 -36.7 34.2 -6.6 16.6 69 70 A H H > S+ 0 0 31 -6,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.886 110.2 46.6 -59.0 -40.5 31.6 -4.6 18.5 70 71 A L H < S+ 0 0 12 -4,-1.1 4,-0.4 1,-0.2 3,-0.3 0.869 110.0 49.6 -72.1 -43.3 28.8 -6.9 17.1 71 72 A A H < S+ 0 0 90 -4,-1.4 4,-0.3 1,-0.2 3,-0.2 0.772 117.7 41.5 -70.5 -25.2 30.4 -10.2 17.9 72 73 A S H X S+ 0 0 50 -4,-1.5 4,-2.1 1,-0.1 -1,-0.2 0.568 91.2 92.5 -93.8 -10.4 31.2 -9.2 21.5 73 74 A L H X S+ 0 0 0 -4,-0.6 4,-1.8 -3,-0.3 5,-0.2 0.724 79.7 54.0 -62.6 -32.2 27.8 -7.5 22.0 74 75 A A H > S+ 0 0 27 -4,-0.4 4,-2.8 -3,-0.2 -1,-0.2 0.978 112.8 43.3 -65.3 -55.0 26.0 -10.5 23.5 75 76 A G H > S+ 0 0 49 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.834 112.3 53.5 -59.0 -36.1 28.6 -11.0 26.2 76 77 A R H X S+ 0 0 46 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.923 112.2 43.8 -68.8 -41.0 28.9 -7.3 27.0 77 78 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.3 0.951 112.5 53.0 -62.3 -51.1 25.2 -7.0 27.5 78 79 A T H X S+ 0 0 34 -4,-2.8 4,-1.5 1,-0.3 3,-0.2 0.904 109.2 48.3 -55.1 -47.5 25.1 -10.3 29.6 79 80 A E H < S+ 0 0 115 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.911 112.8 51.0 -53.0 -42.6 27.9 -9.0 31.8 80 81 A A H < S+ 0 0 31 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.766 119.9 31.7 -73.0 -29.2 25.9 -5.7 32.2 81 82 A I H < S- 0 0 13 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.470 123.8 -97.4-103.4 -8.4 22.5 -7.3 33.1 82 83 A G >< - 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