==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-10 2X22 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.R.LUCKNER,N.LIU,C.W.AM ENDE,P.J.TONGE,C.KISKER . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.4 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 . 34 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 2 1 0 0 2 0 2 6 0 0 0 4 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 6 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 . 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 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 0 138 0, 0.0 2,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -50.2 -31.8 -22.7 43.5 2 3 A G > - 0 0 15 1,-0.1 3,-1.6 30,-0.0 29,-0.1 -0.528 360.0-128.5 -83.5 143.9 -31.0 -23.5 39.8 3 4 A L T 3 S+ 0 0 23 1,-0.3 244,-0.4 -2,-0.2 29,-0.1 0.803 110.7 29.8 -52.9 -34.5 -27.7 -22.4 38.1 4 5 A L T > S+ 0 0 0 27,-1.8 3,-2.4 24,-0.2 -1,-0.3 -0.051 84.2 168.0-122.7 29.2 -29.6 -20.9 35.2 5 6 A D T < S- 0 0 95 -3,-1.6 28,-0.2 1,-0.3 27,-0.1 -0.224 73.0 -2.4 -56.8 122.8 -32.8 -19.8 36.9 6 7 A G T 3 S+ 0 0 42 26,-1.3 -1,-0.3 1,-0.2 2,-0.2 0.365 96.8 138.0 78.6 -3.2 -34.8 -17.5 34.7 7 8 A K < - 0 0 30 -3,-2.4 27,-2.9 81,-0.1 2,-0.6 -0.515 48.9-139.1 -77.3 140.3 -32.3 -17.5 31.9 8 9 A R E +a 34 0A 76 78,-0.2 80,-3.3 -2,-0.2 81,-1.9 -0.903 28.8 179.7-100.9 119.7 -33.5 -17.7 28.3 9 10 A I E -ab 35 89A 0 25,-2.2 27,-2.0 -2,-0.6 2,-0.5 -0.972 23.9-147.8-131.2 124.9 -31.2 -20.0 26.3 10 11 A L E -ab 36 90A 0 79,-2.3 81,-3.2 -2,-0.4 2,-0.5 -0.818 17.8-166.7 -87.1 128.9 -31.2 -21.1 22.6 11 12 A V E -ab 37 91A 0 25,-2.5 27,-2.2 -2,-0.5 2,-0.2 -0.971 5.3-174.9-120.5 117.8 -29.8 -24.6 22.1 12 13 A S E +a 38 0A 0 79,-2.2 27,-0.2 -2,-0.5 25,-0.0 -0.675 53.4 49.5 -98.9 157.5 -29.0 -25.8 18.6 13 14 A G + 0 0 21 25,-0.8 2,-0.4 1,-0.3 8,-0.4 0.499 54.8 144.8 101.3 6.1 -27.9 -29.3 17.6 14 15 A I + 0 0 6 24,-0.7 26,-0.4 -3,-0.2 -1,-0.3 -0.649 4.3 145.9 -71.1 127.5 -30.2 -31.8 19.0 15 16 A I S S+ 0 0 37 1,-0.5 2,-0.2 -2,-0.4 34,-0.2 0.509 71.7 1.8-121.7 -42.7 -30.6 -34.8 16.6 16 17 A T S > S- 0 0 29 33,-0.1 3,-1.4 34,-0.0 -1,-0.5 -0.817 80.1 -95.8-133.1 177.3 -31.0 -37.6 19.1 17 18 A D T 3 S+ 0 0 59 1,-0.2 -3,-0.0 -2,-0.2 178,-0.0 0.349 123.2 59.1 -79.5 10.2 -31.0 -38.2 22.9 18 19 A S T 3 S+ 0 0 56 215,-0.0 -1,-0.2 4,-0.0 5,-0.0 0.480 80.4 117.1-103.6 -9.9 -27.3 -39.0 22.7 19 20 A S S <> S- 0 0 7 -3,-1.4 4,-1.7 1,-0.1 3,-0.5 -0.293 72.5-130.8 -59.2 137.1 -26.5 -35.5 21.2 20 21 A I H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.936 113.0 56.0 -52.0 -43.6 -24.2 -33.3 23.3 21 22 A A H > S+ 0 0 0 -8,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.812 100.5 57.8 -57.8 -36.2 -26.9 -30.7 22.7 22 23 A F H > S+ 0 0 12 -3,-0.5 4,-2.8 -6,-0.3 -1,-0.2 0.940 110.7 42.4 -58.7 -47.3 -29.6 -33.0 24.2 23 24 A H H X S+ 0 0 34 -4,-1.7 4,-2.8 -3,-0.2 5,-0.3 0.869 110.9 54.8 -73.2 -32.8 -27.7 -33.2 27.4 24 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.960 112.8 44.5 -56.0 -54.7 -26.8 -29.5 27.5 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.941 113.3 50.1 -53.0 -52.9 -30.6 -28.8 27.2 26 27 A R H X S+ 0 0 49 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.940 114.7 43.2 -54.6 -53.1 -31.5 -31.4 29.8 27 28 A V H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.898 112.4 53.3 -62.4 -40.7 -29.0 -30.1 32.3 28 29 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.3 -24,-0.2 0.910 110.7 46.8 -62.5 -40.4 -30.0 -26.4 31.5 29 30 A Q H ><5S+ 0 0 21 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.929 107.3 55.6 -66.9 -43.9 -33.7 -27.2 32.2 30 31 A E H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.7 52.0 -51.8 -31.7 -32.8 -29.1 35.4 31 32 A Q T 3<5S- 0 0 40 -4,-1.4 -27,-1.8 -5,-0.2 -1,-0.3 0.183 128.0 -99.2 -95.7 13.9 -31.1 -25.8 36.4 32 33 A G T < 5 + 0 0 17 -3,-2.4 -26,-1.3 1,-0.2 -3,-0.2 0.452 69.5 148.9 91.2 1.0 -34.1 -23.6 35.6 33 34 A A < - 0 0 6 -5,-2.6 2,-0.6 -28,-0.2 -1,-0.2 -0.327 43.0-136.5 -67.6 149.9 -33.4 -22.3 32.1 34 35 A Q E -a 8 0A 121 -27,-2.9 -25,-2.2 -30,-0.2 2,-0.2 -0.954 33.4-153.2-106.0 121.1 -36.2 -21.6 29.7 35 36 A L E -a 9 0A 10 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.623 27.2-163.5-104.7 154.1 -35.1 -22.9 26.3 36 37 A V E -a 10 0A 2 -27,-2.0 -25,-2.5 -2,-0.2 2,-0.3 -0.993 26.4-153.6-122.5 126.7 -35.7 -22.3 22.6 37 38 A L E -ac 11 59A 3 21,-3.2 23,-3.0 -2,-0.4 2,-0.4 -0.784 7.7-160.6-101.7 141.1 -34.5 -25.3 20.6 38 39 A T E -ac 12 60A 4 -27,-2.2 -25,-0.8 -2,-0.3 -24,-0.7 -0.969 11.4-175.5-118.3 146.8 -33.4 -25.3 17.0 39 40 A G E - c 0 61A 3 21,-2.2 23,-3.0 -2,-0.4 2,-0.5 -0.938 14.9-135.8-137.8 156.3 -33.2 -28.3 14.7 40 41 A F - 0 0 105 -26,-0.4 2,-2.9 -2,-0.3 23,-0.1 -0.956 62.3 -38.7-120.2 128.8 -32.0 -29.2 11.2 41 42 A D S S+ 0 0 109 -2,-0.5 2,-1.3 1,-0.2 3,-0.2 -0.297 121.6 64.6 74.5 -64.2 -33.6 -31.2 8.5 42 43 A R > + 0 0 127 -2,-2.9 4,-2.6 1,-0.2 -1,-0.2 -0.489 58.6 155.2 -98.6 64.4 -35.2 -34.1 10.5 43 44 A L H > + 0 0 49 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.778 68.2 55.0 -66.8 -31.9 -37.7 -32.0 12.4 44 45 A R H > S+ 0 0 215 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 112.3 43.3 -67.5 -46.9 -40.2 -34.8 13.1 45 46 A L H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 114.3 50.9 -58.3 -50.5 -37.5 -36.9 14.7 46 47 A I H X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.906 107.8 52.4 -59.4 -43.7 -36.1 -33.9 16.6 47 48 A Q H X S+ 0 0 86 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.929 111.9 47.1 -55.6 -44.5 -39.6 -33.1 17.9 48 49 A R H < S+ 0 0 170 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.918 115.4 45.3 -61.2 -46.9 -39.9 -36.8 19.2 49 50 A I H >< S+ 0 0 11 -4,-2.6 3,-2.4 1,-0.2 4,-0.2 0.927 108.5 54.8 -64.1 -46.8 -36.5 -36.7 20.8 50 51 A T H >< S+ 0 0 7 -4,-3.2 3,-1.0 1,-0.3 -1,-0.2 0.642 93.8 71.7 -70.4 -9.7 -36.9 -33.3 22.4 51 52 A D T 3< S+ 0 0 109 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.547 88.1 64.1 -78.3 -5.5 -40.1 -34.6 24.1 52 53 A R T < S+ 0 0 155 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.490 81.4 105.0 -92.4 -6.3 -37.8 -36.7 26.2 53 54 A L S < S- 0 0 12 -3,-1.0 -30,-0.1 -4,-0.2 -27,-0.0 -0.332 89.7-106.8 -66.9 153.6 -36.3 -33.5 27.8 54 55 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.786 99.0 19.5 -52.2 -31.4 -37.4 -32.6 31.3 55 56 A A S S- 0 0 51 -5,-0.1 -2,-0.1 2,-0.0 -26,-0.1 -0.985 86.1 -95.9-145.2 153.5 -39.7 -29.8 30.0 56 57 A K + 0 0 199 -2,-0.3 -21,-0.3 -5,-0.1 -5,-0.1 -0.300 41.7 173.4 -64.2 143.2 -41.4 -28.5 26.9 57 58 A A - 0 0 13 -23,-0.1 -21,-0.2 -7,-0.1 -4,-0.1 -0.981 37.6 -97.1-149.2 146.4 -39.7 -25.9 24.7 58 59 A P - 0 0 56 0, 0.0 -21,-3.2 0, 0.0 2,-0.5 -0.368 35.0-147.7 -60.6 143.4 -40.4 -24.3 21.3 59 60 A L E -c 37 0A 33 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.971 14.5-170.7-115.5 127.9 -38.6 -26.0 18.4 60 61 A L E -c 38 0A 25 -23,-3.0 -21,-2.2 -2,-0.5 2,-0.3 -0.931 24.9-115.7-119.8 142.7 -37.5 -23.8 15.5 61 62 A E E +c 39 0A 81 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.586 37.6 170.6 -76.0 132.3 -36.1 -24.9 12.2 62 63 A L + 0 0 3 -23,-3.0 2,-0.7 -2,-0.3 -2,-0.0 -0.816 18.1 177.9-149.2 105.6 -32.6 -23.8 11.4 63 64 A D > - 0 0 36 -2,-0.3 3,-2.5 3,-0.1 7,-0.3 -0.944 22.5-151.8 -92.9 111.1 -30.4 -24.9 8.6 64 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 6,-0.0 0.696 95.4 57.9 -62.4 -18.6 -27.2 -22.8 9.1 65 66 A Q T 3 S+ 0 0 64 1,-0.1 2,-0.8 -3,-0.0 -1,-0.3 0.404 87.8 93.0 -84.5 0.0 -26.5 -23.0 5.3 66 67 A N <> - 0 0 42 -3,-2.5 4,-2.2 1,-0.2 5,-0.2 -0.862 58.6-166.0-103.7 104.9 -30.0 -21.4 4.7 67 68 A E H > S+ 0 0 168 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.805 91.1 52.9 -55.8 -38.6 -29.7 -17.5 4.4 68 69 A E H > S+ 0 0 155 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 107.6 50.2 -65.3 -46.5 -33.5 -17.2 4.8 69 70 A H H > S+ 0 0 31 1,-0.2 4,-0.8 -6,-0.2 -2,-0.2 0.933 114.4 45.5 -52.5 -50.3 -33.5 -19.3 8.0 70 71 A L H X S+ 0 0 31 -4,-2.2 4,-0.5 -7,-0.3 3,-0.4 0.869 110.6 53.1 -62.6 -41.9 -30.7 -17.1 9.4 71 72 A A H < S+ 0 0 91 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.795 116.2 38.8 -66.2 -29.8 -32.4 -13.9 8.3 72 73 A S H X S+ 0 0 49 -4,-1.7 4,-2.7 -3,-0.2 5,-0.2 0.524 92.3 93.4 -97.9 -6.0 -35.7 -14.8 10.1 73 74 A L H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.4 5,-0.2 0.885 81.9 48.6 -61.8 -49.0 -34.1 -16.3 13.2 74 75 A A H X S+ 0 0 25 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.925 115.0 48.0 -59.3 -41.2 -34.1 -13.4 15.6 75 76 A G H > S+ 0 0 42 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.913 112.2 47.8 -63.8 -47.2 -37.7 -12.6 14.7 76 77 A R H X S+ 0 0 55 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.868 113.2 49.2 -63.0 -36.5 -38.8 -16.3 15.2 77 78 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.906 108.2 52.3 -67.6 -43.5 -36.9 -16.4 18.5 78 79 A T H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.874 109.3 51.1 -59.3 -40.2 -38.6 -13.1 19.7 79 80 A E H < S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.6 48.7 -62.3 -34.9 -42.0 -14.7 18.8 80 81 A A H < S+ 0 0 39 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.840 123.2 29.6 -76.2 -32.1 -41.0 -17.7 20.9 81 82 A I H < S- 0 0 25 -4,-2.2 -2,-0.2 4,-0.1 -3,-0.2 0.595 117.1-103.5-103.9 -15.8 -39.8 -15.8 23.9 82 83 A G >< - 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