==== 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 10-JAN-10 2X23 . 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 . 1072 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 818 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 0.2 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 . 66 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.5 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 7 0 0 4 1 4 12 0 0 1 6 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 0 12 4 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 . 3 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 4 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 0 120 0, 0.0 2,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 -63.6 -51.1 3.6 -16.4 2 3 A G > - 0 0 15 1,-0.1 3,-1.5 2,-0.1 29,-0.1 -0.418 360.0-119.3 -67.9 148.4 -47.7 3.9 -18.0 3 4 A L T 3 S+ 0 0 22 1,-0.3 244,-0.4 -2,-0.1 29,-0.1 0.782 112.4 30.6 -57.4 -30.4 -45.1 1.3 -16.8 4 5 A L T > S+ 0 0 0 27,-2.1 3,-2.2 24,-0.2 -1,-0.3 -0.013 82.7 161.2-123.0 24.8 -42.8 4.0 -15.4 5 6 A D T < S+ 0 0 76 -3,-1.5 28,-0.2 1,-0.3 27,-0.1 -0.262 72.4 7.5 -51.7 129.1 -45.3 6.6 -14.5 6 7 A G T 3 S+ 0 0 48 26,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.311 98.0 131.7 84.3 -9.9 -43.8 9.1 -12.0 7 8 A K < - 0 0 27 -3,-2.2 27,-3.2 25,-0.1 2,-0.5 -0.532 48.9-145.3 -83.0 142.2 -40.3 7.7 -12.2 8 9 A R E -a 34 0A 58 78,-0.2 80,-3.3 -2,-0.2 81,-1.8 -0.940 25.3-178.5-104.5 123.4 -37.2 9.8 -12.8 9 10 A I E -ab 35 89A 1 25,-2.6 27,-2.1 -2,-0.5 2,-0.5 -0.967 24.0-146.9-134.8 130.7 -34.6 8.1 -14.9 10 11 A L E -ab 36 90A 0 79,-2.6 81,-2.6 -2,-0.4 2,-0.5 -0.808 18.1-168.6 -92.0 130.4 -31.1 9.0 -16.2 11 12 A V E -ab 37 91A 0 25,-2.4 27,-1.9 -2,-0.5 3,-0.2 -0.979 5.6-178.2-122.5 115.3 -30.3 7.6 -19.6 12 13 A S E +a 38 0A 0 79,-2.3 27,-0.2 -2,-0.5 25,-0.0 -0.637 53.6 55.9 -99.7 162.0 -26.6 7.8 -20.9 13 14 A G + 0 0 23 25,-0.8 2,-0.5 1,-0.3 8,-0.4 0.501 55.6 144.6 101.6 5.2 -25.4 6.6 -24.3 14 15 A I + 0 0 4 24,-0.7 26,-0.4 -3,-0.2 -1,-0.3 -0.677 6.7 141.6 -74.9 124.2 -27.4 8.4 -26.9 15 16 A I S S+ 0 0 60 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.512 70.7 6.7-131.7 -33.5 -25.3 9.2 -29.9 16 17 A T S > S- 0 0 37 33,-0.0 3,-1.2 34,-0.0 -1,-0.6 -0.887 81.3-100.3-136.2 175.7 -27.7 8.7 -32.9 17 18 A D T 3 S+ 0 0 72 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.462 122.7 61.3 -78.9 3.6 -31.3 7.9 -33.2 18 19 A S T 3 S+ 0 0 51 4,-0.1 -1,-0.2 175,-0.0 5,-0.1 0.541 79.2 121.4 -90.8 -12.3 -30.3 4.2 -33.8 19 20 A S S X> S- 0 0 7 -3,-1.2 4,-1.7 1,-0.1 3,-0.6 -0.160 70.1-133.4 -52.7 137.8 -28.7 4.2 -30.3 20 21 A I H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.923 111.0 57.7 -59.4 -38.2 -30.1 1.5 -28.0 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.9 72,-0.2 -1,-0.3 0.815 100.9 56.6 -60.1 -30.7 -30.2 4.4 -25.4 22 23 A F H <> S+ 0 0 18 -3,-0.6 4,-2.4 -9,-0.2 -1,-0.2 0.929 109.4 44.3 -67.8 -45.7 -32.5 6.4 -27.8 23 24 A H H X S+ 0 0 39 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.893 112.4 52.3 -64.6 -40.8 -35.0 3.6 -27.9 24 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.955 112.0 46.8 -54.5 -53.2 -34.8 3.1 -24.2 25 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.889 113.5 48.8 -52.8 -44.3 -35.4 6.9 -23.7 26 27 A R H X S+ 0 0 52 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.960 114.1 43.3 -66.5 -48.6 -38.3 6.8 -26.2 27 28 A V H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.905 112.4 54.4 -65.6 -41.2 -40.1 3.8 -24.6 28 29 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.3 3,-0.2 0.905 111.2 44.7 -59.3 -45.4 -39.5 5.1 -21.1 29 30 A Q H ><5S+ 0 0 20 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.876 108.5 56.5 -64.9 -40.9 -41.2 8.5 -22.0 30 31 A E H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.6 52.3 -55.1 -29.2 -44.0 6.6 -23.7 31 32 A Q T 3<5S- 0 0 40 -4,-1.3 -27,-2.1 -3,-0.2 -1,-0.3 0.112 128.2 -96.3 -98.3 15.4 -44.4 4.9 -20.4 32 33 A G T < 5S+ 0 0 29 -3,-1.9 -26,-1.2 1,-0.2 -3,-0.2 0.506 73.2 145.4 89.2 5.7 -44.6 8.1 -18.3 33 34 A A < - 0 0 9 -5,-2.3 2,-0.5 -28,-0.2 -1,-0.2 -0.484 44.8-136.7 -76.4 146.2 -41.0 8.4 -17.1 34 35 A Q E -a 8 0A 109 -27,-3.2 -25,-2.6 -30,-0.2 2,-0.3 -0.922 32.0-152.3 -97.3 124.5 -39.3 11.9 -16.6 35 36 A L E -a 9 0A 11 -2,-0.5 2,-0.4 21,-0.3 -25,-0.2 -0.708 26.6-168.0-104.4 152.4 -35.8 11.7 -18.1 36 37 A V E -a 10 0A 2 -27,-2.1 -25,-2.4 -2,-0.3 2,-0.3 -0.990 25.9-157.3-119.9 130.7 -32.4 13.3 -17.6 37 38 A L E -ac 11 59A 2 21,-3.0 23,-2.9 -2,-0.4 2,-0.4 -0.831 9.0-159.9-107.4 150.0 -30.0 12.4 -20.5 38 39 A T E -ac 12 60A 2 -27,-1.9 -25,-0.8 -2,-0.3 -24,-0.7 -0.980 11.9-177.3-121.2 140.8 -26.2 12.4 -20.6 39 40 A G E - c 0 61A 3 21,-2.3 23,-2.9 -2,-0.4 2,-0.5 -0.901 18.9-126.0-131.4 168.8 -24.1 12.5 -23.8 40 41 A F - 0 0 101 -26,-0.4 2,-2.6 -2,-0.3 23,-0.1 -0.945 64.4 -41.6-122.1 127.2 -20.4 12.4 -24.7 41 42 A D S S+ 0 0 84 -2,-0.5 2,-1.7 1,-0.2 3,-0.3 -0.301 121.7 66.5 71.0 -67.4 -18.4 14.9 -26.8 42 43 A R > + 0 0 155 -2,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.391 58.6 149.8 -88.1 60.6 -20.8 15.6 -29.6 43 44 A L H > + 0 0 36 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.789 63.5 58.8 -71.6 -30.6 -23.3 17.4 -27.5 44 45 A R H > S+ 0 0 193 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.929 113.2 39.2 -61.3 -49.3 -24.7 19.8 -30.2 45 46 A L H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 112.2 56.8 -70.2 -37.9 -25.7 16.9 -32.4 46 47 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.907 106.1 52.0 -57.9 -39.9 -26.9 14.8 -29.4 47 48 A Q H X S+ 0 0 61 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.887 106.2 52.8 -61.6 -44.3 -29.3 17.7 -28.5 48 49 A R H < S+ 0 0 165 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.934 112.9 46.2 -53.6 -47.5 -30.6 17.7 -32.1 49 50 A I H >< S+ 0 0 18 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.905 109.8 50.8 -64.6 -45.5 -31.3 14.0 -31.7 50 51 A T H >< S+ 0 0 7 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.736 96.1 70.6 -71.9 -16.4 -33.0 14.2 -28.3 51 52 A D T 3< S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.668 92.5 61.5 -68.4 -14.3 -35.3 16.9 -29.5 52 53 A R T < S+ 0 0 111 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.408 80.6 104.1 -93.6 -0.3 -36.9 14.1 -31.5 53 54 A L S < S- 0 0 13 -3,-1.6 -27,-0.1 2,-0.1 -30,-0.0 -0.403 89.2-107.2 -71.1 159.2 -37.9 12.1 -28.4 54 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.760 100.9 32.3 -63.7 -24.8 -41.6 12.3 -27.5 55 56 A A S S- 0 0 47 -5,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.967 89.0-102.8-133.4 149.8 -40.9 14.6 -24.5 56 57 A K + 0 0 152 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.380 42.3 176.3 -63.1 141.7 -38.4 17.3 -23.6 57 58 A A - 0 0 7 -23,-0.1 -21,-0.2 -2,-0.1 -4,-0.1 -0.972 33.9-104.5-152.4 137.9 -35.6 16.3 -21.3 58 59 A P - 0 0 53 0, 0.0 -21,-3.0 0, 0.0 2,-0.5 -0.355 32.6-147.9 -60.7 140.8 -32.4 18.0 -19.9 59 60 A L E -c 37 0A 34 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.960 14.8-172.1-116.9 127.4 -29.2 16.9 -21.5 60 61 A L E -c 38 0A 15 -23,-2.9 -21,-2.3 -2,-0.5 2,-0.4 -0.892 24.9-116.4-118.7 146.9 -26.0 16.8 -19.4 61 62 A E E +c 39 0A 89 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.701 35.2 173.2 -83.7 133.4 -22.4 16.2 -20.6 62 63 A L + 0 0 3 -23,-2.9 2,-0.7 -2,-0.4 -24,-0.0 -0.820 17.2 178.9-143.2 104.6 -20.7 13.1 -19.3 63 64 A D > - 0 0 36 -2,-0.3 3,-1.9 1,-0.1 7,-0.2 -0.925 21.7-153.4 -89.4 113.8 -17.3 11.9 -20.4 64 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.665 93.6 57.1 -68.6 -15.5 -16.9 8.8 -18.1 65 66 A Q T 3 S+ 0 0 66 -3,-0.0 2,-0.8 1,-0.0 -1,-0.3 0.470 88.2 92.9 -87.8 -3.1 -13.1 9.1 -18.3 66 67 A N <> - 0 0 44 -3,-1.9 4,-1.7 1,-0.2 5,-0.2 -0.826 59.7-164.9 -96.9 111.4 -13.4 12.6 -17.0 67 68 A E H > S+ 0 0 127 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.831 90.5 54.3 -59.1 -37.5 -13.0 12.7 -13.2 68 69 A E H > S+ 0 0 152 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 106.6 51.4 -66.8 -43.9 -14.4 16.2 -13.0 69 70 A H H 4 S+ 0 0 31 1,-0.2 4,-0.4 -6,-0.2 -1,-0.2 0.881 113.9 43.8 -59.6 -41.0 -17.5 15.2 -14.9 70 71 A L H >X S+ 0 0 15 -4,-1.7 3,-0.6 -7,-0.2 4,-0.5 0.864 110.6 54.3 -72.5 -39.3 -18.2 12.3 -12.5 71 72 A A H 3< S+ 0 0 90 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.806 116.7 38.3 -61.2 -33.0 -17.4 14.4 -9.4 72 73 A S T 3X S+ 0 0 52 -4,-1.6 4,-2.0 1,-0.1 -1,-0.2 0.440 92.0 94.3 -97.8 -1.6 -20.0 17.0 -10.5 73 74 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 5,-0.2 0.912 80.5 49.3 -65.1 -48.4 -22.6 14.7 -11.9 74 75 A A H X S+ 0 0 23 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.897 112.9 49.3 -59.5 -43.3 -24.9 14.2 -8.9 75 76 A G H > S+ 0 0 53 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 111.5 49.4 -60.7 -40.6 -25.1 18.0 -8.4 76 77 A R H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.875 111.7 47.3 -68.7 -39.1 -25.9 18.6 -12.1 77 78 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.930 110.2 53.5 -65.1 -47.0 -28.6 15.9 -12.1 78 79 A T H X S+ 0 0 38 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.887 108.3 50.4 -55.0 -41.2 -30.1 17.4 -8.9 79 80 A E H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.925 112.7 48.0 -57.7 -44.8 -30.1 20.8 -10.6 80 81 A A H < S+ 0 0 25 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.855 121.9 31.3 -66.6 -40.6 -32.0 19.2 -13.6 81 82 A I H < S- 0 0 23 -4,-2.5 -1,-0.2 4,-0.1 -2,-0.2 0.545 118.5 -99.9 -99.4 -10.7 -34.6 17.3 -11.5 82 83 A G >< - 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