==== 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 08-NOV-06 2NTN . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR G.PONCET-MONTANGE,S.DUCASSE-CABANOT,A.QUEMARD,G.LABESSE,M.CO . 425 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 16.0 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 . 0 0.0 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 . 39 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 0 0 0 0 0 2 2 2 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 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 . 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 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 9 A A 0 0 92 0, 0.0 247,-0.1 0, 0.0 405,-0.1 0.000 360.0 360.0 360.0 78.0 29.5 -8.7 12.1 2 10 A K - 0 0 123 246,-0.1 3,-0.1 1,-0.1 202,-0.0 -0.619 360.0-114.9 -82.5 132.6 28.2 -5.3 13.2 3 11 A P - 0 0 41 0, 0.0 200,-0.2 0, 0.0 3,-0.1 -0.485 39.1-102.3 -65.5 130.5 29.4 -2.1 11.4 4 12 A P - 0 0 109 0, 0.0 2,-0.0 0, 0.0 199,-0.0 -0.184 44.5 -98.3 -54.5 142.9 31.5 0.2 13.5 5 13 A F - 0 0 111 -3,-0.1 2,-0.4 197,-0.0 197,-0.0 -0.333 33.5-161.6 -64.3 139.8 29.6 3.3 14.8 6 14 A V - 0 0 57 -3,-0.1 2,-0.7 -2,-0.0 -1,-0.0 -0.995 18.7-131.0-125.0 124.2 30.0 6.6 13.0 7 15 A S - 0 0 48 -2,-0.4 2,-0.2 25,-0.1 25,-0.2 -0.652 33.0-158.6 -77.0 110.6 29.0 9.8 14.9 8 16 A R - 0 0 27 -2,-0.7 25,-2.5 193,-0.1 2,-0.7 -0.582 24.8-113.0 -94.9 149.0 26.8 11.7 12.5 9 17 A S E -a 33 0A 1 64,-0.3 67,-2.4 -2,-0.2 66,-2.3 -0.737 48.6-168.9 -73.4 115.0 25.8 15.3 12.2 10 18 A V E -ab 34 76A 0 23,-3.2 25,-2.5 -2,-0.7 2,-0.5 -0.896 20.1-167.4-116.2 136.1 22.1 15.1 13.1 11 19 A L E -ab 35 77A 1 65,-2.7 67,-3.2 -2,-0.4 2,-0.6 -0.983 3.9-169.2-121.4 123.1 19.3 17.6 12.9 12 20 A V E > -ab 36 78A 0 23,-2.8 25,-2.1 -2,-0.5 3,-1.0 -0.925 14.2-146.4-109.4 109.8 16.0 16.9 14.6 13 21 A T T 3 S+ 0 0 3 65,-2.9 67,-0.3 -2,-0.6 25,-0.1 -0.546 88.9 10.2 -71.7 141.1 13.2 19.3 13.6 14 22 A G T > S+ 0 0 32 -2,-0.2 3,-0.6 38,-0.1 -1,-0.3 0.902 87.1 150.9 52.0 46.2 10.8 19.9 16.6 15 23 A G T < + 0 0 0 22,-1.1 23,-0.1 -3,-1.0 -1,-0.1 0.203 48.1 74.8 -93.5 16.3 13.4 18.2 18.8 16 24 A N T 3 S+ 0 0 37 21,-0.4 2,-0.3 27,-0.1 -1,-0.2 0.436 96.6 34.4-106.6 -1.8 12.6 20.0 22.1 17 25 A R S X> S- 0 0 61 -3,-0.6 3,-1.0 27,-0.0 4,-1.0 -0.989 102.6 -18.2-150.5 157.2 9.3 18.4 23.0 18 26 A G H 3> S- 0 0 40 -2,-0.3 4,-1.7 1,-0.3 3,-0.2 -0.142 124.0 -7.3 57.4-134.8 7.3 15.1 23.0 19 27 A I H 3> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.823 134.1 61.7 -62.1 -34.2 8.4 12.4 20.5 20 28 A G H <> S+ 0 0 4 -3,-1.0 4,-2.5 -6,-0.2 -2,-0.2 0.902 105.1 46.2 -58.8 -44.8 10.9 14.9 19.0 21 29 A L H X S+ 0 0 44 -4,-1.0 4,-3.1 2,-0.2 5,-0.3 0.925 109.5 53.5 -63.1 -51.1 12.8 15.2 22.3 22 30 A A H X S+ 0 0 19 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.917 112.5 45.9 -46.6 -51.4 12.8 11.4 22.9 23 31 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.937 113.0 49.4 -58.3 -51.5 14.4 11.0 19.4 24 32 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.905 114.2 44.8 -56.2 -45.7 16.9 13.8 20.0 25 33 A Q H X S+ 0 0 98 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.871 113.2 50.3 -70.1 -38.8 18.0 12.4 23.4 26 34 A R H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.943 110.9 48.7 -59.7 -50.8 18.2 8.8 22.1 27 35 A L H X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 4,-0.6 0.850 112.2 49.3 -62.4 -34.5 20.4 9.9 19.1 28 36 A A H ><5S+ 0 0 34 -4,-1.7 3,-0.6 -5,-0.2 -1,-0.2 0.861 109.6 51.0 -70.3 -39.4 22.7 11.9 21.5 29 37 A A H 3<5S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.793 103.7 60.6 -65.0 -31.3 23.0 8.8 23.8 30 38 A D H 3<5S- 0 0 39 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.744 125.8-102.6 -62.6 -30.8 23.9 6.8 20.7 31 39 A G T <<5S+ 0 0 33 -4,-0.6 -3,-0.2 -3,-0.6 -2,-0.1 0.494 76.2 134.2 113.1 10.2 26.9 9.0 20.2 32 40 A H < - 0 0 13 -5,-2.0 2,-0.7 -25,-0.2 -1,-0.3 -0.383 63.8-110.3 -79.3 164.6 25.7 11.3 17.4 33 41 A K E -a 9 0A 92 -25,-2.5 -23,-3.2 -2,-0.1 2,-0.5 -0.900 45.0-161.9 -95.9 111.5 26.1 15.1 17.3 34 42 A V E +a 10 0A 10 -2,-0.7 14,-1.2 -25,-0.2 2,-0.3 -0.859 18.5 178.1-112.1 121.9 22.5 16.2 17.7 35 43 A A E -ac 11 48A 0 -25,-2.5 -23,-2.8 -2,-0.5 2,-0.3 -0.843 12.8-158.0-109.8 154.6 21.1 19.6 16.9 36 44 A V E -ac 12 49A 0 12,-3.3 14,-2.6 -2,-0.3 2,-0.3 -0.984 11.0-138.8-131.7 146.1 17.4 20.5 17.3 37 45 A T E + c 0 50A 8 -25,-2.1 -22,-1.1 -2,-0.3 -21,-0.4 -0.745 27.5 173.8 -93.5 151.4 15.0 23.1 15.9 38 46 A H E - c 0 51A 21 12,-1.8 14,-2.4 -2,-0.3 5,-0.1 -0.878 41.5-114.8-145.3 176.8 12.4 24.9 18.2 39 47 A R S S- 0 0 160 -2,-0.3 12,-0.1 12,-0.2 14,-0.0 0.255 81.3 -68.0-103.1 11.4 9.8 27.7 18.0 40 48 A G S S+ 0 0 42 10,-0.1 3,-0.1 12,-0.0 11,-0.1 0.048 110.6 103.7 127.9 -24.8 11.6 29.9 20.5 41 49 A S S S- 0 0 103 1,-0.1 10,-0.0 0, 0.0 2,-0.0 0.620 87.0-106.2 -69.8 -15.4 11.2 28.0 23.8 42 50 A G - 0 0 33 2,-0.1 -1,-0.1 8,-0.0 -3,-0.1 0.183 26.6 -85.0 102.8 141.3 14.9 26.8 23.8 43 51 A A - 0 0 29 4,-0.1 6,-0.1 1,-0.1 3,-0.1 -0.518 56.7 -95.6 -71.8 144.4 16.7 23.5 23.1 44 52 A P > - 0 0 30 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.371 57.2 -79.3 -64.4 140.3 16.9 21.2 26.1 45 53 A K T 3 S+ 0 0 213 1,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.006 118.1 30.7 -37.9 138.7 20.2 21.5 28.1 46 54 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.455 103.9 88.2 107.2 -53.5 23.0 19.6 26.4 47 55 A L S < S- 0 0 40 -3,-1.8 2,-0.4 -2,-0.3 -1,-0.2 -0.367 77.7-110.6 -95.3 156.6 21.9 20.0 22.8 48 56 A F E -c 35 0A 58 -14,-1.2 -12,-3.3 -2,-0.1 2,-0.4 -0.688 37.3-161.2 -85.0 126.6 22.4 22.6 20.1 49 57 A G E -c 36 0A 26 -2,-0.4 2,-0.4 -14,-0.2 -12,-0.2 -0.890 15.7-177.0-115.7 138.5 19.2 24.6 19.2 50 58 A V E -c 37 0A 19 -14,-2.6 -12,-1.8 -2,-0.4 2,-0.5 -0.992 28.0-125.6-124.2 141.4 18.1 26.7 16.3 51 59 A E E +c 38 0A 131 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.748 41.1 166.3 -84.0 126.2 14.8 28.6 16.0 52 60 A V - 0 0 5 -14,-2.4 2,-0.7 -2,-0.5 -38,-0.1 -0.952 34.6-161.6-149.8 120.4 13.0 27.6 12.8 53 61 A D > - 0 0 61 -2,-0.3 3,-2.5 3,-0.1 6,-0.2 -0.935 20.0-152.9 -93.8 110.5 9.5 28.1 11.5 54 62 A V T 3 S+ 0 0 24 -2,-0.7 49,-0.2 1,-0.3 50,-0.1 0.528 91.4 70.7 -68.9 -5.1 9.5 25.4 8.8 55 63 A T T 3 S+ 0 0 51 1,-0.1 2,-0.6 48,-0.1 -1,-0.3 0.604 90.3 73.0 -73.5 -16.4 6.9 27.4 6.9 56 64 A D <> - 0 0 63 -3,-2.5 4,-1.6 1,-0.1 3,-0.3 -0.902 65.1-162.8-115.2 110.6 9.7 29.9 6.2 57 65 A S H > S+ 0 0 71 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.777 92.2 51.7 -64.4 -30.1 12.4 28.9 3.6 58 66 A D H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.823 107.1 52.2 -75.3 -34.9 14.9 31.5 4.8 59 67 A A H > S+ 0 0 7 -3,-0.3 4,-1.3 -6,-0.2 -2,-0.2 0.843 110.8 48.8 -67.3 -37.2 14.6 30.4 8.4 60 68 A V H X S+ 0 0 3 -4,-1.6 4,-2.4 -7,-0.2 -2,-0.2 0.913 110.8 50.4 -66.6 -48.3 15.3 26.8 7.3 61 69 A D H X S+ 0 0 68 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.923 112.8 45.5 -54.4 -49.8 18.3 28.0 5.2 62 70 A R H X S+ 0 0 152 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.783 111.4 54.6 -66.2 -30.0 19.8 30.0 8.2 63 71 A A H X S+ 0 0 4 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.948 107.3 47.4 -71.1 -49.4 19.2 27.1 10.6 64 72 A F H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.841 112.1 52.8 -58.5 -36.6 21.1 24.5 8.5 65 73 A T H X S+ 0 0 42 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.871 107.9 48.3 -69.4 -42.1 23.9 27.0 8.2 66 74 A A H X S+ 0 0 34 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.915 114.2 48.0 -63.8 -43.0 24.2 27.6 11.9 67 75 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.922 109.4 53.3 -58.9 -50.0 24.2 23.8 12.5 68 76 A E H X S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 112.3 44.3 -51.9 -47.7 26.9 23.3 9.7 69 77 A E H < S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.6 48.1 -67.8 -34.0 29.2 25.8 11.4 70 78 A H H < S- 0 0 102 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.917 138.0 -6.7 -74.2 -45.0 28.5 24.3 14.8 71 79 A Q H < S- 0 0 22 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.209 107.7 -86.0-142.8 9.6 29.0 20.6 14.2 72 80 A G < - 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0 0 72 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.802 360.0-104.4-128.9 170.2 -11.9 24.9 6.0 87 102 A E H > S+ 0 0 149 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.924 119.5 49.6 -61.8 -46.4 -9.5 26.1 3.3 88 103 A E H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.8 45.6 -60.0 -49.0 -7.3 28.0 5.8 89 104 A K H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.866 114.7 50.1 -60.9 -38.8 -7.0 25.0 8.2 90 105 A F H X S+ 0 0 78 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 112.9 43.6 -68.8 -45.3 -6.3 22.7 5.3 91 106 A E H X S+ 0 0 113 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.807 110.7 57.2 -69.9 -32.6 -3.5 24.9 3.7 92 107 A K H X S+ 0 0 134 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.892 110.3 42.0 -62.5 -44.4 -2.0 25.6 7.2 93 108 A V H X S+ 0 0 7 -4,-1.5 4,-3.1 2,-0.2 5,-0.5 0.916 115.4 50.9 -71.9 -40.6 -1.4 21.9 7.9 94 109 A I H X>S+ 0 0 35 -4,-1.9 5,-2.4 3,-0.2 4,-1.8 0.894 111.6 48.5 -59.6 -42.5 -0.2 21.2 4.3 95 110 A N H <>S+ 0 0 52 -4,-2.4 5,-1.2 3,-0.2 -2,-0.2 0.946 120.0 35.4 -66.0 -49.7 2.2 24.1 4.6 96 111 A A H <5S+ 0 0 9 -4,-2.1 -14,-0.2 3,-0.2 -2,-0.2 0.946 129.2 31.8 -68.0 -49.2 3.7 23.0 8.0 97 112 A N H <5S+ 0 0 13 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.768 132.2 21.6 -88.5 -32.1 3.5 19.2 7.5 98 113 A L T X5S+ 0 0 41 -4,-1.8 4,-1.9 -5,-0.5 3,-0.3 0.851 131.5 34.4-100.9 -62.0 4.0 18.6 3.8 99 114 A T H > S+ 0 0 4 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.899 111.5 49.5 -65.1 -43.4 9.0 18.5 5.1 102 117 A F H X S+ 0 0 97 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.887 107.8 54.2 -60.1 -45.8 10.0 19.5 1.5 103 118 A R H X S+ 0 0 41 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.936 113.3 40.0 -57.9 -52.3 11.8 22.7 2.6 104 119 A V H X S+ 0 0 2 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.866 115.8 52.2 -68.5 -36.6 14.1 20.9 5.1 105 120 A A H X S+ 0 0 4 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.871 111.4 46.9 -64.2 -40.4 14.6 18.0 2.8 106 121 A Q H X S+ 0 0 86 -4,-2.6 4,-0.6 1,-0.2 3,-0.2 0.879 109.9 51.7 -71.6 -40.8 15.7 20.3 -0.1 107 122 A R H < S+ 0 0 56 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.772 114.6 46.1 -61.7 -28.3 18.0 22.4 2.1 108 123 A A H X S+ 0 0 2 -4,-1.1 4,-1.5 -5,-0.2 -1,-0.2 0.728 96.7 76.1 -83.5 -25.5 19.7 19.1 3.2 109 124 A S H X S+ 0 0 14 -4,-1.0 4,-2.6 -3,-0.2 5,-0.2 0.812 85.5 52.9 -71.0 -41.3 20.0 17.4 -0.2 110 125 A R H X S+ 0 0 151 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.899 111.9 46.6 -63.1 -42.2 23.0 19.1 -2.0 111 126 A S H > S+ 0 0 12 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.896 114.0 48.6 -65.2 -42.2 25.4 18.5 0.9 112 127 A M H X>S+ 0 0 1 -4,-1.5 5,-1.9 2,-0.2 4,-0.7 0.901 112.3 48.3 -65.3 -43.3 24.3 14.9 1.3 113 128 A Q H <5S+ 0 0 74 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.895 112.5 49.0 -61.6 -45.7 24.6 14.3 -2.5 114 129 A R H <5S+ 0 0 172 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.5 41.3 -59.4 -42.4 28.1 15.9 -2.5 115 130 A N H <5S- 0 0 100 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.516 105.1-127.7 -89.0 -3.7 29.3 13.8 0.5 116 131 A K T <5S+ 0 0 115 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.888 78.3 96.5 52.0 41.5 27.7 10.6 -0.7 117 132 A F < + 0 0 14 -5,-1.9 2,-0.3 -6,-0.2 37,-0.2 -0.871 39.5 141.9-153.1 133.9 26.0 10.2 2.6 118 133 A G E - 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