==== 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 1UZN . 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 . 465 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 15.1 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 . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 0 0 0 1 0 0 4 1 1 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 10 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 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 0 107 0, 0.0 265,-0.1 0, 0.0 438,-0.1 0.000 360.0 360.0 360.0 135.6 29.2 -8.6 10.9 2 10 A K - 0 0 125 264,-0.1 3,-0.1 1,-0.1 218,-0.0 -0.643 360.0-116.3 -75.2 119.9 27.7 -5.4 12.6 3 11 A P - 0 0 40 0, 0.0 216,-0.2 0, 0.0 217,-0.1 -0.284 36.2 -97.4 -55.6 138.8 29.0 -2.3 10.7 4 12 A P - 0 0 109 0, 0.0 2,-0.1 0, 0.0 215,-0.0 -0.283 45.9-103.7 -52.5 139.1 31.2 0.0 12.7 5 13 A F - 0 0 106 -3,-0.1 2,-0.4 213,-0.1 213,-0.1 -0.429 32.3-159.6 -68.3 141.6 29.3 3.0 14.2 6 14 A V - 0 0 53 -2,-0.1 2,-0.7 -3,-0.1 213,-0.0 -0.993 18.8-128.7-121.1 129.3 29.7 6.4 12.6 7 15 A S - 0 0 54 -2,-0.4 2,-0.3 25,-0.1 25,-0.2 -0.702 35.8-162.6 -76.5 114.9 28.9 9.6 14.5 8 16 A R - 0 0 30 -2,-0.7 25,-2.5 209,-0.1 2,-0.7 -0.705 25.0-113.4-103.7 150.5 26.5 11.4 12.1 9 17 A S E -a 33 0A 0 64,-0.3 67,-2.4 -2,-0.3 66,-2.2 -0.759 45.1-166.7 -79.6 118.5 25.5 15.1 12.0 10 18 A V E -ab 34 76A 0 23,-3.2 25,-2.5 -2,-0.7 2,-0.4 -0.898 19.7-169.8-117.6 133.1 21.8 14.9 12.8 11 19 A L E -ab 35 77A 1 65,-2.3 67,-3.2 -2,-0.4 2,-0.5 -0.998 4.9-172.2-117.0 125.0 19.0 17.5 12.5 12 20 A V E > -ab 36 78A 0 23,-2.2 25,-1.9 -2,-0.4 3,-1.0 -0.963 14.4-147.9-113.7 111.2 15.7 16.7 14.1 13 21 A T E 3 S+ b 0 79A 0 65,-2.6 67,-0.7 -2,-0.5 25,-0.1 -0.588 88.7 16.6 -75.3 141.2 12.9 19.2 13.3 14 22 A G T > S+ 0 0 18 -2,-0.2 3,-0.5 66,-0.2 6,-0.3 0.863 88.0 142.6 59.4 38.2 10.5 19.6 16.1 15 23 A G T < + 0 0 0 22,-1.0 9,-0.1 -3,-1.0 23,-0.1 0.254 43.2 81.7 -94.0 11.7 13.1 18.0 18.3 16 24 A N T 3 S+ 0 0 30 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.545 98.7 12.7 -96.2 -11.7 12.5 20.1 21.4 17 25 A R S X> S+ 0 0 162 -3,-0.5 4,-1.0 27,-0.0 3,-0.7 -0.986 103.9 1.8-156.5 167.3 9.5 18.2 22.8 18 26 A G H 3> S- 0 0 39 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.205 121.8 -10.3 59.0-138.1 7.3 15.1 22.7 19 27 A I H 3> S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 136.5 57.1 -61.4 -43.4 8.3 12.4 20.2 20 28 A G H <> S+ 0 0 0 -3,-0.7 4,-2.3 -6,-0.3 -1,-0.2 0.866 107.5 47.5 -56.3 -41.8 10.9 14.6 18.5 21 29 A L H X S+ 0 0 37 -4,-1.0 4,-2.8 -3,-0.3 5,-0.2 0.904 110.5 51.8 -66.9 -43.4 12.7 15.2 21.8 22 30 A A H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 112.5 47.5 -56.6 -43.1 12.6 11.4 22.6 23 31 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.929 112.0 48.5 -62.8 -48.4 14.1 10.9 19.1 24 32 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.898 111.6 49.0 -64.3 -38.2 16.8 13.5 19.6 25 33 A Q H X S+ 0 0 100 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.904 112.4 48.6 -68.9 -40.2 17.8 12.2 23.0 26 34 A R H X S+ 0 0 3 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.913 110.5 50.2 -63.9 -44.7 18.1 8.6 21.7 27 35 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.4 0.841 111.7 49.3 -64.4 -30.9 20.1 9.7 18.7 28 36 A A H ><5S+ 0 0 36 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.896 110.0 49.5 -76.4 -38.8 22.5 11.6 21.0 29 37 A A H 3<5S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.777 103.7 63.1 -66.0 -28.3 22.9 8.6 23.4 30 38 A D T 3<5S- 0 0 33 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.696 126.4 -99.7 -66.5 -24.8 23.6 6.5 20.3 31 39 A G T < 5S+ 0 0 36 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.430 78.5 132.2 116.2 1.0 26.7 8.6 19.7 32 40 A H < - 0 0 13 -5,-1.9 2,-0.7 -25,-0.2 -1,-0.3 -0.342 64.2-111.9 -80.6 162.5 25.5 11.1 17.0 33 41 A K E -a 9 0A 86 -25,-2.5 -23,-3.2 38,-0.1 2,-0.5 -0.893 45.1-160.0 -92.1 110.5 26.0 14.8 16.9 34 42 A V E +a 10 0A 10 -2,-0.7 14,-1.6 12,-0.2 2,-0.3 -0.857 20.5 175.7-111.5 124.3 22.4 16.0 17.4 35 43 A A E -ac 11 48A 0 -25,-2.5 -23,-2.2 -2,-0.5 2,-0.3 -0.888 12.3-161.1-112.6 150.1 20.8 19.4 16.6 36 44 A V E -ac 12 49A 0 12,-2.4 14,-2.4 -2,-0.3 2,-0.3 -0.971 11.6-134.4-128.3 147.4 17.1 20.2 17.0 37 45 A T E + c 0 50A 6 -25,-1.9 -22,-1.0 -2,-0.3 -21,-0.5 -0.702 29.0 167.3 -91.7 158.2 14.9 22.9 15.5 38 46 A H E - c 0 51A 22 12,-1.3 14,-2.3 -2,-0.3 5,-0.1 -0.922 40.4-121.9-155.2 169.6 12.4 24.8 17.7 39 47 A R S S- 0 0 164 -2,-0.3 12,-0.1 12,-0.2 14,-0.1 0.005 82.2 -55.7-114.0 32.4 10.3 28.0 17.4 40 48 A G S S+ 0 0 47 10,-0.1 3,-0.1 12,-0.1 11,-0.1 -0.172 114.3 93.4 134.2 -42.1 11.6 30.0 20.4 41 49 A S S S- 0 0 103 1,-0.2 2,-0.1 0, 0.0 10,-0.0 0.753 88.3-128.0 -53.8 -29.9 11.3 27.8 23.5 42 50 A G - 0 0 23 8,-0.0 -1,-0.2 2,-0.0 -3,-0.1 -0.318 17.5 -75.2 106.4 172.0 14.8 26.6 23.0 43 51 A A - 0 0 35 4,-0.1 6,-0.2 -2,-0.1 4,-0.1 -0.833 51.7-108.3-104.2 148.6 16.5 23.3 22.8 44 52 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.287 49.4 -69.3 -77.6 163.0 17.2 21.2 26.0 45 53 A K T 3 S+ 0 0 219 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.175 121.1 28.6 -51.3 135.7 20.6 20.7 27.6 46 54 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.698 104.8 90.0 83.7 21.1 22.9 18.5 25.5 47 55 A L S < S- 0 0 22 -3,-0.8 2,-0.5 -4,-0.1 -12,-0.2 -0.966 74.5-128.2-148.6 131.0 21.3 19.4 22.2 48 56 A F E -c 35 0A 61 -14,-1.6 -12,-2.4 -2,-0.3 2,-0.4 -0.708 32.3-151.8 -80.2 121.6 22.3 22.2 19.8 49 57 A G E -c 36 0A 25 -2,-0.5 2,-0.4 -14,-0.2 -12,-0.2 -0.779 16.3-173.4-101.6 140.8 19.2 24.2 19.0 50 58 A V E -c 37 0A 8 -14,-2.4 -12,-1.3 -2,-0.4 2,-0.6 -0.998 24.1-129.1-129.5 130.6 18.4 26.2 15.9 51 59 A E E +c 38 0A 138 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.642 44.3 145.0 -83.5 118.9 15.3 28.4 15.6 52 60 A V - 0 0 8 -14,-2.3 2,-0.6 -2,-0.6 -2,-0.1 -0.975 42.9-147.7-154.7 141.4 13.2 27.8 12.5 53 61 A D > - 0 0 57 -2,-0.3 3,-2.1 3,-0.1 6,-0.2 -0.944 22.8-144.7 -99.8 122.1 9.6 27.8 11.3 54 62 A V T 3 S+ 0 0 12 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.448 96.4 68.0 -75.4 0.8 9.5 25.1 8.5 55 63 A T T 3 S+ 0 0 50 1,-0.1 2,-0.7 55,-0.1 -1,-0.3 0.473 89.0 78.8 -84.2 -5.4 7.0 27.2 6.6 56 64 A D <> - 0 0 64 -3,-2.1 4,-1.7 1,-0.2 5,-0.1 -0.894 62.0-170.0-110.0 104.3 9.8 29.7 6.0 57 65 A S H > S+ 0 0 68 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.844 88.8 51.8 -62.8 -36.3 12.2 28.6 3.3 58 66 A D H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 109.6 49.2 -68.1 -39.5 14.8 31.3 4.1 59 67 A A H > S+ 0 0 8 2,-0.2 4,-1.7 -6,-0.2 -2,-0.2 0.804 108.4 53.9 -68.4 -32.6 14.8 30.3 7.9 60 68 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.928 107.6 51.2 -65.6 -45.7 15.3 26.6 6.9 61 69 A D H X S+ 0 0 74 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.921 112.0 45.8 -54.5 -49.0 18.3 27.7 4.8 62 70 A R H X S+ 0 0 155 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.809 109.0 56.0 -68.3 -31.1 19.9 29.6 7.8 63 71 A A H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.939 107.5 48.1 -68.0 -45.1 19.2 26.8 10.2 64 72 A F H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.823 110.4 52.7 -63.3 -33.6 21.1 24.3 8.1 65 73 A T H X S+ 0 0 49 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.896 108.9 48.9 -69.7 -40.7 24.0 26.7 7.8 66 74 A A H X S+ 0 0 34 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.857 113.3 48.0 -66.7 -35.4 24.1 27.1 11.6 67 75 A V H X>S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.5 0.929 109.6 52.3 -68.0 -46.4 24.1 23.3 12.0 68 76 A E H X5S+ 0 0 98 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.887 110.9 47.7 -57.4 -40.1 26.8 22.9 9.3 69 77 A E H <5S+ 0 0 166 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.839 116.7 43.5 -69.9 -34.6 29.1 25.4 11.2 70 78 A H H <5S- 0 0 108 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.917 138.6 -4.4 -77.3 -47.8 28.5 23.8 14.6 71 79 A Q H <5S- 0 0 17 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.262 108.2 -83.0-139.0 8.9 28.8 20.0 13.8 72 80 A G << - 0 0 23 -4,-1.5 -1,-0.3 -5,-0.5 3,-0.1 -0.041 69.4 -42.8 95.4 156.3 29.2 19.5 10.0 73 81 A P S S- 0 0 41 0, 0.0 -64,-0.3 0, 0.0 2,-0.3 -0.143 76.6 -85.3 -58.4 149.7 26.6 19.4 7.3 74 82 A V + 0 0 6 -10,-0.2 -64,-0.2 1,-0.2 3,-0.1 -0.396 50.6 165.6 -64.7 119.4 23.5 17.4 7.9 75 83 A E S S+ 0 0 47 -66,-2.2 51,-2.1 1,-0.3 2,-0.5 0.731 72.2 38.0 -97.0 -38.5 23.9 13.7 7.2 76 84 A V E S-bd 10 126A 0 -67,-2.4 -65,-2.3 49,-0.2 2,-0.5 -0.973 70.5-170.6-120.9 115.8 20.8 12.4 9.0 77 85 A L E -bd 11 127A 0 49,-2.8 51,-3.0 -2,-0.5 2,-0.6 -0.942 5.6-168.4-109.7 122.2 17.6 14.5 8.8 78 86 A V E -bd 12 128A 0 -67,-3.2 -65,-2.6 -2,-0.5 2,-0.9 -0.946 7.2-161.6-108.1 108.3 14.6 13.6 10.9 79 87 A S E +bd 13 129A 10 49,-2.2 51,-2.8 -2,-0.6 -65,-0.1 -0.808 35.7 140.1 -92.6 98.5 11.6 15.6 9.7 80 88 A N + 0 0 25 -2,-0.9 -66,-0.2 -67,-0.7 -1,-0.2 0.592 20.4 127.8-113.2 -22.9 9.2 15.4 12.7 81 89 A A + 0 0 24 -3,-0.2 2,-0.3 26,-0.1 -67,-0.1 -0.165 40.0 152.9 -51.0 111.7 7.8 19.0 12.7 82 90 A G + 0 0 49 -68,-0.1 2,-0.3 25,-0.0 -2,-0.0 -0.961 25.2 171.7-143.4 159.9 4.0 18.4 12.6 83 91 A L - 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