==== 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 17-AUG-05 2AQ8 . COMPND 2 MOLECULE: ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.S.OLIVEIRA,J.H.PEREIRA,N.C.RODRIGUES,F.CANDURI,L.A.BASSO,W . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.2 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 3 A G > 0 0 69 0, 0.0 3,-1.7 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 147.3 -7.9 -55.2 22.1 2 4 A L T 3 + 0 0 63 1,-0.3 244,-0.4 243,-0.0 29,-0.1 0.803 360.0 30.5 -58.8 -35.3 -4.5 -53.7 23.2 3 5 A L T > S+ 0 0 0 27,-2.1 3,-2.2 24,-0.2 -1,-0.3 -0.064 84.8 164.6-116.3 28.5 -6.1 -50.6 24.6 4 6 A D T < S- 0 0 112 -3,-1.7 28,-0.2 1,-0.3 27,-0.1 -0.262 72.2 -1.1 -58.2 122.0 -9.4 -52.1 25.7 5 7 A G T 3 S+ 0 0 51 26,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.335 97.6 134.1 84.9 -7.6 -11.2 -49.8 28.1 6 8 A K < - 0 0 26 -3,-2.2 27,-2.9 81,-0.1 2,-0.5 -0.546 49.2-143.3 -79.1 141.1 -8.5 -47.2 28.1 7 9 A R E -a 33 0A 64 -2,-0.2 80,-3.8 78,-0.2 81,-1.9 -0.926 26.6-179.6-104.7 126.5 -9.5 -43.6 27.8 8 10 A I E -ab 34 88A 0 25,-2.6 27,-1.8 -2,-0.5 2,-0.4 -0.987 24.9-144.7-139.4 127.6 -7.1 -41.7 25.7 9 11 A L E -ab 35 89A 0 79,-2.5 81,-2.6 -2,-0.4 2,-0.5 -0.770 18.3-164.7 -87.3 128.2 -6.8 -38.1 24.5 10 12 A V E -ab 36 90A 0 25,-2.8 27,-2.2 -2,-0.4 3,-0.3 -0.970 7.4-176.2-120.9 112.8 -5.3 -37.7 21.1 11 13 A S + 0 0 0 79,-2.5 27,-0.1 -2,-0.5 25,-0.0 -0.496 54.0 50.9 -88.7 167.8 -4.1 -34.3 20.0 12 14 A G + 0 0 22 25,-0.3 2,-0.5 1,-0.3 8,-0.4 0.525 57.2 142.3 87.0 8.1 -2.7 -33.3 16.6 13 15 A I + 0 0 3 24,-0.8 26,-0.4 -3,-0.3 -1,-0.3 -0.733 7.9 142.4 -77.2 127.3 -5.3 -34.5 14.0 14 16 A I + 0 0 63 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.468 69.2 10.0-129.9 -34.5 -5.5 -32.0 11.2 15 17 A T S > S- 0 0 28 33,-0.1 3,-1.2 34,-0.0 -1,-0.6 -0.852 82.1-100.3-136.1 175.4 -5.9 -34.1 8.1 16 18 A D T 3 S+ 0 0 97 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.562 123.6 57.1 -75.1 -7.3 -6.5 -37.7 7.4 17 19 A S T 3 S+ 0 0 35 4,-0.1 -1,-0.2 5,-0.0 2,-0.0 0.451 78.6 120.3-101.4 -0.3 -2.7 -38.0 6.8 18 20 A S S X> S- 0 0 10 -3,-1.2 4,-1.3 1,-0.1 3,-0.9 -0.362 72.1-129.9 -51.1 134.9 -1.9 -36.7 10.2 19 21 A I H 3> S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.906 111.1 58.8 -55.6 -39.0 0.1 -39.2 12.2 20 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.753 96.5 60.9 -64.4 -25.1 -2.4 -38.6 15.0 21 23 A F H <> S+ 0 0 17 -3,-0.9 4,-3.0 -9,-0.2 -1,-0.2 0.949 109.3 41.9 -64.4 -45.1 -5.2 -39.7 12.7 22 24 A H H X S+ 0 0 38 -4,-1.3 4,-2.9 -3,-0.3 5,-0.3 0.874 112.7 52.9 -70.5 -39.4 -3.6 -43.1 12.4 23 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.959 112.4 46.2 -55.6 -50.5 -2.8 -43.1 16.1 24 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.945 113.6 49.0 -59.7 -48.4 -6.5 -42.4 16.8 25 27 A R H X S+ 0 0 52 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.932 114.4 43.5 -56.7 -50.3 -7.6 -45.0 14.3 26 28 A V H X S+ 0 0 7 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.913 112.1 53.5 -63.6 -40.8 -5.4 -47.8 15.6 27 29 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.3 3,-0.3 0.937 111.8 46.2 -59.3 -46.4 -6.2 -46.9 19.2 28 30 A Q H ><5S+ 0 0 18 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.928 108.3 54.4 -61.7 -46.4 -9.9 -47.2 18.4 29 31 A E H 3<5S+ 0 0 102 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.793 108.8 53.5 -54.7 -28.2 -9.3 -50.5 16.5 30 32 A Q T 3<5S- 0 0 64 -4,-1.5 -27,-2.1 -3,-0.3 -1,-0.3 0.218 126.7 -96.1 -97.8 14.1 -7.7 -51.6 19.8 31 33 A G T < 5S+ 0 0 32 -3,-2.3 -26,-1.5 1,-0.3 -3,-0.2 0.428 73.4 144.0 99.2 -1.1 -10.6 -50.7 22.1 32 34 A A < - 0 0 9 -5,-2.3 2,-0.6 -28,-0.2 -1,-0.3 -0.443 45.3-137.4 -76.0 146.6 -9.6 -47.3 23.3 33 35 A Q E -a 7 0A 73 -27,-2.9 -25,-2.6 -30,-0.2 2,-0.3 -0.919 31.3-149.9-101.4 123.5 -12.2 -44.6 23.9 34 36 A L E -a 8 0A 2 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.659 27.2-169.6-106.5 148.1 -10.9 -41.3 22.6 35 37 A V E -a 9 0A 0 -27,-1.8 -25,-2.8 -2,-0.3 2,-0.3 -0.993 26.5-153.3-117.5 131.8 -11.2 -37.7 23.2 36 38 A L E -ac 10 58A 0 21,-3.8 23,-3.2 -2,-0.4 2,-0.4 -0.759 7.4-158.1-102.5 147.3 -9.7 -35.7 20.4 37 39 A T E - c 0 59A 3 -27,-2.2 -24,-0.8 -2,-0.3 2,-0.3 -0.980 12.6-172.6-121.5 149.4 -8.2 -32.3 20.6 38 40 A G E - c 0 60A 2 21,-2.3 23,-3.1 -2,-0.4 2,-0.6 -0.959 18.1-129.6-141.6 149.2 -7.9 -30.1 17.6 39 41 A F - 0 0 104 -26,-0.4 2,-2.7 -2,-0.3 23,-0.1 -0.913 67.0 -43.2-110.4 123.1 -6.3 -26.8 16.8 40 42 A D S S+ 0 0 101 -2,-0.6 2,-1.2 1,-0.1 3,-0.2 -0.268 122.1 66.8 73.4 -60.2 -8.1 -23.9 15.1 41 43 A R > + 0 0 153 -2,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.521 55.3 156.4 -98.0 68.4 -10.0 -25.7 12.3 42 44 A L H > S+ 0 0 38 -2,-1.2 4,-3.1 1,-0.2 -1,-0.2 0.845 70.8 54.2 -69.2 -33.1 -12.4 -27.6 14.4 43 45 A R H > S+ 0 0 228 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 111.5 46.0 -63.3 -47.8 -15.0 -28.0 11.6 44 46 A L H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.949 114.4 48.2 -56.3 -49.3 -12.4 -29.4 9.3 45 47 A I H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.915 108.7 53.3 -65.2 -41.9 -11.1 -31.8 12.1 46 48 A Q H X S+ 0 0 76 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.959 110.6 47.3 -54.2 -48.7 -14.6 -32.9 13.0 47 49 A R H < S+ 0 0 135 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.890 114.2 47.3 -61.6 -43.0 -15.2 -33.8 9.3 48 50 A I H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.926 112.4 49.0 -58.7 -50.0 -11.8 -35.7 9.1 49 51 A T H >< S+ 0 0 6 -4,-3.4 3,-2.1 1,-0.3 -2,-0.2 0.705 89.8 79.2 -75.1 -14.6 -12.4 -37.5 12.4 50 52 A D T 3< S+ 0 0 99 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.791 89.0 62.2 -52.3 -28.8 -15.9 -38.6 11.3 51 53 A R T < S+ 0 0 171 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.593 78.3 107.1 -76.7 -14.3 -13.9 -41.2 9.3 52 54 A L S < S- 0 0 8 -3,-2.1 -27,-0.1 -4,-0.1 -30,-0.0 -0.333 87.4-110.5 -60.2 148.7 -12.4 -42.7 12.5 53 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.716 100.6 30.8 -55.9 -22.2 -13.9 -46.2 13.3 54 56 A A S S- 0 0 46 -5,-0.2 -2,-0.1 2,-0.0 2,-0.1 -0.957 90.7 -99.5-137.1 155.6 -15.7 -44.7 16.3 55 57 A K - 0 0 78 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.374 40.6-176.7 -66.8 145.0 -17.1 -41.3 17.4 56 58 A A - 0 0 14 -23,-0.1 -21,-0.2 -2,-0.1 -4,-0.1 -0.952 29.7-112.5-149.5 129.0 -14.9 -39.2 19.6 57 59 A P - 0 0 55 0, 0.0 -21,-3.8 0, 0.0 2,-0.5 -0.366 31.3-145.6 -58.8 139.0 -15.5 -36.0 21.2 58 60 A L E -c 36 0A 31 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.957 15.2-170.7-114.0 124.6 -13.4 -33.2 19.8 59 61 A L E -c 37 0A 25 -23,-3.2 -21,-2.3 -2,-0.5 2,-0.3 -0.903 25.8-115.9-116.0 142.2 -12.1 -30.4 22.0 60 62 A E E +c 38 0A 86 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.585 37.5 171.8 -76.1 131.9 -10.4 -27.3 20.9 61 63 A L + 0 0 3 -23,-3.1 2,-0.8 -2,-0.3 -24,-0.0 -0.849 17.2 179.4-147.9 106.2 -6.8 -27.0 22.1 62 64 A D > - 0 0 36 -2,-0.3 3,-2.5 3,-0.2 7,-0.2 -0.942 22.1-151.8 -98.2 111.7 -4.5 -24.3 21.0 63 65 A V T 3 S+ 0 0 5 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.713 94.1 56.1 -63.9 -18.0 -1.5 -25.3 23.0 64 66 A Q T 3 S+ 0 0 64 1,-0.1 2,-0.8 -3,-0.0 -1,-0.3 0.442 88.0 93.4 -89.4 -0.7 -0.3 -21.6 23.0 65 67 A N <> - 0 0 52 -3,-2.5 4,-1.8 1,-0.2 3,-0.2 -0.839 60.6-162.8-100.8 106.9 -3.6 -20.6 24.5 66 68 A E H > S+ 0 0 120 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.855 91.2 51.1 -55.5 -38.7 -3.4 -20.5 28.3 67 69 A E H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 105.7 54.7 -69.6 -37.8 -7.1 -20.5 28.8 68 70 A H H > S+ 0 0 18 -3,-0.2 4,-0.6 -6,-0.2 -1,-0.2 0.906 113.9 42.2 -59.2 -43.1 -7.5 -23.6 26.5 69 71 A L H X S+ 0 0 14 -4,-1.8 4,-0.6 -7,-0.2 3,-0.3 0.886 112.1 53.7 -69.7 -42.4 -5.0 -25.4 28.7 70 72 A A H < S+ 0 0 90 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.851 117.8 37.1 -62.1 -35.3 -6.6 -24.1 32.0 71 73 A S H X S+ 0 0 30 -4,-2.4 4,-2.3 -5,-0.2 3,-0.3 0.592 94.4 94.8 -90.7 -9.1 -10.0 -25.3 30.9 72 74 A L H X S+ 0 0 0 -4,-0.6 4,-2.8 -3,-0.3 5,-0.2 0.888 82.0 46.1 -56.1 -54.7 -8.7 -28.5 29.2 73 75 A A H X S+ 0 0 19 -4,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.867 113.2 50.4 -59.0 -40.3 -9.1 -31.1 32.0 74 76 A G H > S+ 0 0 46 -4,-0.3 4,-3.1 -3,-0.3 -1,-0.2 0.948 112.1 48.2 -61.0 -47.3 -12.6 -29.9 32.9 75 77 A R H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.894 113.1 47.5 -59.7 -42.1 -13.6 -30.1 29.2 76 78 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.918 111.7 49.8 -65.2 -42.7 -12.1 -33.6 29.0 77 79 A T H X S+ 0 0 36 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.938 110.0 51.8 -61.3 -43.6 -13.9 -34.6 32.3 78 80 A E H < S+ 0 0 160 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 112.7 46.5 -52.2 -48.5 -17.1 -33.3 30.8 79 81 A A H < S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.815 121.8 32.8 -69.3 -35.2 -16.5 -35.4 27.6 80 82 A I H < S- 0 0 11 -4,-2.5 -1,-0.2 4,-0.1 -2,-0.2 0.507 120.4 -99.0-100.7 -8.9 -15.6 -38.7 29.4 81 83 A G >< - 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0 0 15 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.939 37.0-114.0-142.8 126.4 8.0 -24.5 13.2 97 99 A P > - 0 0 14 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.167 34.8-107.6 -49.7 151.2 7.5 -21.2 11.2 98 100 A Q G > S+ 0 0 137 1,-0.3 3,-1.9 2,-0.2 6,-0.3 0.778 117.7 64.8 -52.8 -34.9 9.0 -21.4 7.6 99 101 A T G 3 S+ 0 0 39 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.745 98.1 57.0 -64.9 -21.1 11.9 -19.2 8.5 100 102 A G G < S+ 0 0 0 -3,-2.2 58,-2.2 8,-0.1 59,-0.7 0.323 112.2 41.1 -90.0 7.3 13.0 -21.9 10.9 101 103 A M S X S+ 0 0 23 -3,-1.9 3,-1.1 56,-0.2 55,-0.2 -0.851 90.9 16.8-143.2 174.9 13.2 -24.5 8.2 102 104 A G T 3 S- 0 0 5 53,-2.7 53,-0.3 -2,-0.3 104,-0.2 -0.165 116.6 -20.1 63.9-146.7 14.1 -25.4 4.6 103 105 A I T 3 S+ 0 0 85 102,-2.8 -1,-0.2 2,-0.1 103,-0.1 0.566 100.3 112.7 -81.9 -6.9 16.4 -23.2 2.6 104 106 A N S < S- 0 0 50 -3,-1.1 5,-0.1 -6,-0.3 51,-0.1 -0.545 88.9-101.2 -54.7 121.1 15.8 -20.1 4.9 105 107 A P > - 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.208 22.8-123.9 -50.8 137.7 19.4 -20.0 6.3 106 108 A F G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.884 112.3 52.5 -48.1 -46.2 19.5 -21.4 9.8 107 109 A F G 3 S+ 0 0 179 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.654 100.7 64.3 -66.7 -18.5 21.0 -18.1 11.1 108 110 A D G < + 0 0 99 -3,-1.5 -1,-0.2 -9,-0.1 -2,-0.2 0.533 69.2 109.2 -88.8 -6.2 18.2 -16.2 9.6 109 111 A A S < S- 0 0 11 -3,-1.3 2,-0.1 -4,-0.4 -9,-0.1 -0.599 72.0-130.5 -70.5 118.0 15.3 -17.6 11.7 110 112 A P >> - 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