==== 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 14-MAR-04 1UZM . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.COHEN-GONSAUD,S.DUCASSE,A.QUEMARD,G.LABESSE . 437 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 15.6 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 . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 1 0 1 0 0 0 2 3 1 0 2 2 0 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 76 0, 0.0 255,-0.1 0, 0.0 416,-0.1 0.000 360.0 360.0 360.0 66.8 29.5 -8.6 11.8 2 10 A K - 0 0 129 254,-0.1 3,-0.1 1,-0.1 210,-0.0 -0.635 360.0-108.4 -83.2 132.3 28.0 -5.3 12.8 3 11 A P - 0 0 44 0, 0.0 208,-0.2 0, 0.0 209,-0.1 -0.347 43.0-100.8 -55.9 137.6 29.1 -2.2 10.9 4 12 A P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 207,-0.0 -0.309 44.8-100.8 -59.1 143.5 31.3 0.1 13.1 5 13 A F - 0 0 110 -3,-0.1 2,-0.4 205,-0.1 205,-0.0 -0.411 33.5-161.5 -69.0 141.7 29.5 3.1 14.5 6 14 A V - 0 0 54 -2,-0.1 2,-0.7 -3,-0.1 205,-0.0 -0.996 19.4-128.9-122.9 125.2 29.9 6.5 12.9 7 15 A S - 0 0 53 -2,-0.4 2,-0.3 25,-0.1 25,-0.2 -0.654 35.0-162.4 -73.6 113.7 29.0 9.7 14.8 8 16 A R - 0 0 27 -2,-0.7 25,-2.8 67,-0.0 2,-0.7 -0.678 25.5-113.1 -99.3 149.5 26.7 11.6 12.4 9 17 A S E -a 33 0A 0 64,-0.3 66,-2.5 -2,-0.3 67,-2.0 -0.761 45.9-168.1 -76.5 116.4 25.7 15.2 12.3 10 18 A V E -ab 34 76A 0 23,-3.3 25,-2.7 -2,-0.7 2,-0.4 -0.886 20.0-168.7-115.6 136.3 22.0 15.0 13.1 11 19 A L E -ab 35 77A 1 65,-2.4 67,-3.1 -2,-0.4 2,-0.6 -0.992 5.2-170.7-121.0 122.5 19.2 17.6 12.8 12 20 A V E > -ab 36 78A 0 23,-2.4 25,-2.0 -2,-0.4 3,-1.1 -0.942 16.2-144.1-110.3 110.5 15.8 16.8 14.4 13 21 A T T 3 S+ 0 0 3 65,-2.8 67,-0.4 -2,-0.6 25,-0.1 -0.478 88.4 12.5 -71.8 144.1 13.1 19.3 13.5 14 22 A G T > S+ 0 0 32 -2,-0.1 3,-0.8 1,-0.1 6,-0.3 0.842 87.4 147.9 57.4 34.8 10.7 19.9 16.4 15 23 A G T < + 0 0 0 -3,-1.1 23,-0.1 22,-1.1 9,-0.1 0.235 49.2 72.3 -91.8 15.2 13.2 18.1 18.6 16 24 A N T 3 S+ 0 0 28 21,-0.5 2,-0.3 27,-0.1 -1,-0.2 0.444 98.3 44.7-102.4 -1.7 12.6 20.0 21.9 17 25 A R S X> S- 0 0 160 -3,-0.8 4,-1.3 26,-0.0 3,-0.8 -0.986 102.6 -30.6-145.6 145.9 9.2 18.5 22.6 18 26 A G H 3> S- 0 0 45 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.109 121.4 -3.3 58.7-135.7 7.3 15.1 22.7 19 27 A I H 3> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 134.9 57.5 -58.3 -40.6 8.3 12.4 20.2 20 28 A G H <> S+ 0 0 4 -3,-0.8 4,-2.5 -6,-0.3 -2,-0.2 0.891 106.6 48.6 -58.9 -41.4 10.9 14.7 18.7 21 29 A L H X S+ 0 0 54 -4,-1.3 4,-2.7 -7,-0.2 5,-0.2 0.913 110.0 50.9 -64.2 -45.1 12.6 15.2 22.1 22 30 A A H X S+ 0 0 24 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.907 112.2 48.5 -59.0 -41.4 12.6 11.4 22.7 23 31 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 111.9 47.4 -63.4 -50.1 14.2 11.0 19.2 24 32 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 112.6 48.9 -60.2 -46.0 16.9 13.7 19.8 25 33 A Q H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.883 112.8 48.7 -62.2 -38.5 17.8 12.4 23.2 26 34 A R H X S+ 0 0 10 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.924 110.9 48.6 -68.6 -45.2 18.1 8.8 21.9 27 35 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.5 0.845 111.3 52.0 -65.5 -31.4 20.3 9.8 18.9 28 36 A A H ><5S+ 0 0 34 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.920 110.2 46.9 -69.0 -43.2 22.5 11.8 21.3 29 37 A A H 3<5S+ 0 0 89 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.755 103.8 64.3 -71.2 -23.1 23.0 8.8 23.6 30 38 A D T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.710 126.1 -99.5 -66.7 -24.4 23.7 6.7 20.5 31 39 A G T < 5S+ 0 0 34 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.395 78.8 131.0 118.0 -2.5 26.8 8.8 19.9 32 40 A H < - 0 0 14 -5,-1.9 2,-0.7 -25,-0.2 -1,-0.3 -0.270 64.7-110.7 -79.4 164.3 25.6 11.2 17.2 33 41 A K E -a 9 0A 91 -25,-2.8 -23,-3.3 38,-0.1 2,-0.6 -0.901 45.3-159.8 -94.1 108.4 26.0 15.0 17.2 34 42 A V E +a 10 0A 10 -2,-0.7 14,-1.5 12,-0.2 2,-0.3 -0.836 21.0 174.6-111.1 123.4 22.5 16.2 17.7 35 43 A A E -ac 11 48A 0 -25,-2.7 -23,-2.4 -2,-0.6 2,-0.3 -0.865 13.3-160.4-111.8 152.3 20.9 19.5 16.9 36 44 A V E -ac 12 49A 0 12,-2.9 14,-2.1 -2,-0.3 2,-0.3 -0.946 11.5-136.1-129.0 151.7 17.2 20.3 17.1 37 45 A T E + c 0 50A 6 -25,-2.0 -22,-1.1 -2,-0.3 -21,-0.5 -0.826 27.8 171.0-100.0 153.6 14.9 23.0 15.7 38 46 A H E - c 0 51A 23 12,-1.7 14,-2.4 -2,-0.3 5,-0.1 -0.878 40.6-120.0-147.1 173.6 12.3 24.7 17.9 39 47 A R S S- 0 0 169 -2,-0.3 12,-0.1 12,-0.2 14,-0.1 0.229 83.2 -57.2-109.0 14.8 9.9 27.6 17.6 40 48 A G S S+ 0 0 43 10,-0.1 3,-0.1 12,-0.1 11,-0.1 -0.022 115.3 89.1 145.7 -36.0 11.3 29.7 20.5 41 49 A S S S- 0 0 104 1,-0.2 2,-0.1 0, 0.0 10,-0.0 0.777 87.2-130.6 -66.0 -29.3 11.3 27.8 23.8 42 50 A G - 0 0 22 8,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.215 19.1 -63.3 107.9 168.7 14.8 26.4 23.1 43 51 A A - 0 0 34 4,-0.1 6,-0.1 -7,-0.1 3,-0.1 -0.636 53.1-112.1 -86.0 149.9 16.7 23.1 23.1 44 52 A P > - 0 0 42 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.404 53.6 -67.0 -76.9 163.3 17.2 21.2 26.3 45 53 A K T 3 S+ 0 0 205 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.165 121.8 28.8 -56.0 136.3 20.6 20.8 27.9 46 54 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.412 103.9 91.6 92.9 -0.1 23.1 18.8 25.8 47 55 A L S < S- 0 0 17 -3,-1.5 2,-0.4 -14,-0.1 -1,-0.2 -0.994 74.7-126.3-128.9 135.2 21.5 19.6 22.5 48 56 A F E -c 35 0A 59 -14,-1.5 -12,-2.9 -2,-0.4 2,-0.4 -0.650 33.0-154.8 -75.9 126.4 22.3 22.4 20.1 49 57 A G E -c 36 0A 28 -2,-0.4 2,-0.4 -14,-0.2 -12,-0.2 -0.845 18.1-179.0-110.4 143.1 19.2 24.4 19.3 50 58 A V E -c 37 0A 15 -14,-2.1 -12,-1.7 -2,-0.4 2,-0.5 -0.999 25.4-128.8-132.9 137.6 18.2 26.6 16.3 51 59 A E E +c 38 0A 123 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.721 41.5 149.5 -85.2 129.1 14.9 28.5 15.9 52 60 A V - 0 0 8 -14,-2.4 2,-0.6 -2,-0.5 -2,-0.1 -0.925 40.6-146.3-160.6 137.5 13.0 27.9 12.7 53 61 A D > - 0 0 43 -2,-0.3 3,-1.9 3,-0.1 7,-0.2 -0.914 22.2-144.5 -95.1 122.0 9.4 27.9 11.4 54 62 A V T 3 S+ 0 0 20 -2,-0.6 52,-0.2 1,-0.3 53,-0.1 0.448 95.4 69.8 -75.8 2.5 9.4 25.2 8.7 55 63 A T T 3 S+ 0 0 50 1,-0.1 2,-0.6 51,-0.1 -1,-0.3 0.489 89.6 75.9 -85.3 -4.4 6.9 27.3 6.6 56 64 A D <> - 0 0 67 -3,-1.9 4,-1.8 1,-0.1 3,-0.2 -0.898 63.0-167.0-116.6 102.6 9.7 29.8 6.0 57 65 A S H > S+ 0 0 65 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.823 90.2 52.6 -59.9 -34.8 12.3 28.7 3.5 58 66 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 108.0 50.0 -66.8 -43.3 14.8 31.4 4.5 59 67 A A H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.852 110.1 52.2 -62.4 -34.4 14.6 30.4 8.2 60 68 A V H X S+ 0 0 4 -4,-1.8 4,-2.3 -7,-0.2 5,-0.2 0.928 108.4 50.3 -66.5 -44.3 15.3 26.8 7.2 61 69 A D H X S+ 0 0 72 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.926 111.7 47.1 -60.4 -45.7 18.3 27.8 5.2 62 70 A R H X S+ 0 0 148 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.834 109.5 55.1 -65.9 -35.1 19.8 29.8 8.1 63 71 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.945 108.8 46.1 -63.2 -48.2 19.1 26.9 10.5 64 72 A F H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.849 111.6 53.2 -64.8 -35.2 21.0 24.4 8.4 65 73 A T H X S+ 0 0 46 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.902 109.0 48.6 -64.8 -42.8 23.9 26.9 8.1 66 74 A A H X S+ 0 0 35 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.882 113.0 47.1 -64.9 -39.8 24.1 27.4 11.9 67 75 A V H X>S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.5 0.924 109.5 54.6 -67.8 -44.2 24.1 23.6 12.4 68 76 A E H X5S+ 0 0 52 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.893 110.4 46.1 -52.8 -44.1 26.8 23.2 9.7 69 77 A E H <5S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.1 44.9 -72.1 -31.0 29.0 25.7 11.5 70 78 A H H <5S- 0 0 107 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 137.9 -3.3 -78.5 -45.0 28.4 24.1 14.9 71 79 A Q H <5S- 0 0 18 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.266 106.8 -87.9-140.5 8.7 28.8 20.3 14.1 72 80 A G S < - 0 0 72 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.965 41.2-104.3-151.4 161.3 -11.9 24.5 6.0 90 102 A E H > S+ 0 0 145 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.875 118.5 49.9 -57.4 -42.2 -9.5 25.9 3.4 91 103 A E H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 113.8 44.4 -65.3 -44.9 -7.4 27.8 5.9 92 104 A K H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.826 114.6 50.9 -69.3 -30.9 -7.0 24.8 8.2 93 105 A F H X S+ 0 0 74 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.968 113.9 41.8 -70.5 -52.4 -6.3 22.5 5.2 94 106 A E H X S+ 0 0 116 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.850 111.0 57.7 -64.9 -35.5 -3.6 24.8 3.8 95 107 A K H X S+ 0 0 51 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.930 111.7 40.9 -58.3 -48.6 -2.0 25.5 7.2 96 108 A V H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.5 0.907 115.5 50.4 -69.9 -41.0 -1.5 21.8 7.9 97 109 A I H X>S+ 0 0 32 -4,-2.4 5,-2.4 1,-0.2 4,-2.2 0.934 111.2 49.3 -61.8 -43.8 -0.3 21.1 4.4 98 110 A N H <>S+ 0 0 54 -4,-2.8 5,-1.0 3,-0.2 -1,-0.2 0.906 118.9 37.5 -64.2 -41.7 2.2 24.0 4.5 99 111 A A H <5S+ 0 0 9 -4,-1.9 -17,-0.4 -5,-0.2 -2,-0.2 0.897 128.7 29.4 -73.9 -43.4 3.7 22.9 7.9 100 112 A N H <5S+ 0 0 12 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.763 133.4 22.2 -98.1 -30.9 3.6 19.1 7.5 101 113 A L T X5S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.5 -3,-0.2 0.826 131.6 35.1-103.0 -60.6 4.0 18.5 3.8 102 114 A T H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 110.0 51.5 -63.8 -42.5 9.0 18.5 5.0 105 117 A F H X S+ 0 0 91 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.924 107.1 53.6 -57.3 -45.8 9.9 19.4 1.4 106 118 A R H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.907 112.3 41.7 -62.2 -45.2 11.8 22.5 2.6 107 119 A V H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.902 116.0 49.8 -70.2 -39.9 14.0 20.7 5.0 108 120 A A H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.896 111.5 49.3 -61.2 -43.1 14.7 17.8 2.6 109 121 A Q H X S+ 0 0 114 -4,-3.0 4,-0.6 1,-0.2 3,-0.2 0.909 111.9 47.5 -65.3 -42.5 15.5 20.2 -0.2 110 122 A R H < S+ 0 0 57 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.820 114.6 47.1 -69.8 -30.6 17.9 22.2 2.0 111 123 A A H X S+ 0 0 3 -4,-1.9 4,-1.5 1,-0.1 -1,-0.2 0.757 98.1 76.4 -74.8 -26.0 19.6 19.0 3.3 112 124 A S H X S+ 0 0 18 -4,-1.4 4,-2.6 -3,-0.2 5,-0.2 0.798 82.5 54.9 -69.7 -41.6 20.0 17.4 -0.2 113 125 A R H X S+ 0 0 171 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.934 112.5 43.7 -62.5 -44.1 22.9 19.1 -2.0 114 126 A S H > S+ 0 0 18 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.880 113.5 51.8 -68.5 -40.5 25.4 18.4 0.8 115 127 A M H <>S+ 0 0 2 -4,-1.5 5,-2.1 2,-0.2 4,-0.4 0.913 112.4 45.8 -59.7 -44.4 24.1 14.8 1.2 116 128 A Q H ><5S+ 0 0 59 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.924 113.0 49.8 -63.4 -46.0 24.5 14.2 -2.5 117 129 A R H 3<5S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.866 115.3 42.1 -62.4 -41.2 28.0 15.8 -2.7 118 130 A N T 3<5S- 0 0 100 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.407 107.5-126.8 -87.6 -1.0 29.3 13.8 0.3 119 131 A K T < 5S+ 0 0 121 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.874 77.9 93.9 52.6 42.0 27.6 10.6 -1.0 120 132 A F < + 0 0 15 -5,-2.1 2,-0.3 -6,-0.2 40,-0.3 -0.860 40.8 139.5-156.4 133.5 25.9 10.0 2.3 121 133 A G E - 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