==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUL-07 2QNZ . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SACHDEVA,F.MUSAYEV,M.ALHAMADSHEH,J.N.SCARSDALE,H.T.WRIGHT, . 659 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 14.0 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 . 2 0.3 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 0.3 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 . 50 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 4 1 1 0 3 1 1 2 1 0 1 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 3 4 0 0 0 6 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 . 4 0 0 0 2 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 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 -10 A M 0 0 167 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.9 -12.1 28.0 18.6 2 -9 A T - 0 0 46 577,-0.1 2,-0.4 573,-0.0 573,-0.0 -0.921 360.0-131.2-102.1 133.1 -9.0 26.2 17.4 3 -8 A E - 0 0 85 -2,-0.5 2,-0.4 571,-0.1 508,-0.1 -0.714 21.9-121.8 -84.7 131.7 -7.0 24.4 20.2 4 -7 A I - 0 0 1 506,-0.7 506,-0.2 -2,-0.4 570,-0.2 -0.616 34.3-112.8 -74.8 126.9 -3.2 25.1 20.0 5 -6 A A - 0 0 36 568,-2.8 2,-0.4 -2,-0.4 -1,-0.1 -0.237 25.1-149.6 -62.0 145.0 -1.3 21.9 19.6 6 -5 A T - 0 0 72 507,-0.1 2,-0.2 504,-0.0 507,-0.1 -0.963 8.8-154.1-114.9 135.8 0.9 20.7 22.5 7 -4 A T - 0 0 69 -2,-0.4 2,-0.3 128,-0.2 130,-0.1 -0.617 4.6-152.7-101.0 166.4 4.0 18.6 21.8 8 -3 A S - 0 0 104 -2,-0.2 127,-0.2 128,-0.2 128,-0.1 -0.991 11.1-178.8-139.1 150.0 5.8 16.1 24.1 9 -2 A G - 0 0 36 125,-2.2 125,-0.2 -2,-0.3 130,-0.1 -0.373 46.0 -30.5-124.5-157.4 9.4 14.9 24.5 10 -1 A A - 0 0 14 123,-0.7 -1,-0.3 -2,-0.1 126,-0.1 -0.286 38.6-156.5 -62.4 144.5 11.4 12.4 26.6 11 1 A R S S+ 0 0 178 1,-0.2 2,-0.6 165,-0.1 -1,-0.1 0.891 83.0 52.9 -82.9 -51.2 10.3 11.7 30.2 12 2 A S S S+ 0 0 20 164,-0.2 164,-1.8 167,-0.1 2,-0.4 -0.797 71.2 174.3 -95.2 122.9 13.7 10.6 31.4 13 3 A V E +A 175 0A 0 -2,-0.6 167,-1.9 162,-0.3 168,-0.7 -0.970 3.1 160.7-133.8 139.0 16.5 13.0 30.8 14 4 A G E -A 174 0A 2 160,-2.7 160,-2.1 -2,-0.4 2,-0.8 -0.916 46.1 -82.6-151.7 174.1 20.2 12.9 31.8 15 5 A L E -A 173 0A 12 313,-0.5 158,-0.2 165,-0.3 316,-0.2 -0.780 36.0-177.1 -86.9 109.1 23.8 14.1 31.4 16 6 A L E - 0 0 52 156,-2.8 315,-1.7 -2,-0.8 2,-0.3 0.893 62.4 -14.2 -75.8 -39.9 25.2 11.9 28.7 17 7 A S E -A 172 0A 0 155,-0.8 155,-1.6 313,-0.3 2,-0.3 -0.967 49.8-141.4-155.1 165.0 28.7 13.4 28.8 18 8 A V E -A 171 0A 2 -2,-0.3 2,-0.4 153,-0.2 153,-0.2 -0.985 15.7-173.5-129.9 143.7 31.0 16.2 30.1 19 9 A G E -A 170 0A 1 151,-2.4 151,-3.0 -2,-0.3 2,-0.4 -0.995 8.7-160.5-136.7 135.1 33.9 17.7 28.1 20 10 A A E -A 169 0A 20 -2,-0.4 2,-0.4 149,-0.2 149,-0.3 -0.915 10.7-164.5-120.6 141.6 36.3 20.2 29.5 21 11 A Y E -A 168 0A 38 147,-3.9 147,-2.3 -2,-0.4 44,-0.1 -0.991 9.4-178.0-122.1 127.2 38.7 22.8 28.1 22 12 A R - 0 0 52 -2,-0.4 145,-0.1 145,-0.2 29,-0.1 -0.980 30.5-115.6-125.8 119.2 41.4 24.3 30.2 23 13 A P - 0 0 0 0, 0.0 29,-0.1 0, 0.0 28,-0.1 -0.070 22.7-121.9 -50.8 148.7 43.8 27.0 28.8 24 14 A E S S+ 0 0 89 26,-0.1 2,-0.4 2,-0.1 28,-0.1 0.851 84.0 92.7 -63.9 -39.1 47.5 26.1 28.5 25 15 A R E -J 51 0B 133 26,-0.7 26,-1.9 1,-0.1 2,-0.6 -0.439 60.3-159.4 -71.7 118.6 48.9 28.9 30.7 26 16 A V E -J 50 0B 67 -2,-0.4 2,-0.7 24,-0.2 24,-0.2 -0.871 2.3-163.6 -98.9 117.1 49.3 27.9 34.4 27 17 A V E -J 49 0B 2 22,-3.4 22,-1.6 -2,-0.6 2,-0.1 -0.888 10.3-155.1-104.8 107.6 49.5 30.9 36.8 28 18 A T E > -J 48 0B 55 -2,-0.7 4,-2.6 20,-0.2 5,-0.2 -0.338 28.1-113.5 -74.5 159.2 50.8 29.9 40.2 29 19 A N H > S+ 0 0 1 18,-1.7 4,-2.0 1,-0.2 -1,-0.1 0.909 120.1 53.9 -53.5 -44.2 50.1 31.9 43.4 30 20 A D H 4 S+ 0 0 106 2,-0.2 -1,-0.2 1,-0.2 18,-0.1 0.828 110.6 45.1 -63.6 -36.2 53.8 32.8 43.5 31 21 A E H 4 S+ 0 0 71 1,-0.2 3,-0.3 -3,-0.1 -1,-0.2 0.932 116.4 44.5 -70.9 -48.1 53.6 34.2 40.0 32 22 A I H < S+ 0 0 30 -4,-2.6 2,-1.1 1,-0.2 -2,-0.2 0.741 101.6 72.2 -69.8 -23.2 50.4 36.1 40.5 33 23 A C < 0 0 61 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.1 -0.411 360.0 360.0 -96.3 59.1 51.5 37.5 43.8 34 24 A Q 0 0 189 -2,-1.1 -1,-0.1 -3,-0.3 -2,-0.1 0.367 360.0 360.0-136.7 360.0 54.1 40.0 42.6 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 29 A S > 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 117.8 52.1 34.7 49.4 37 30 A D H > + 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 360.0 49.0 -57.5 -51.0 51.2 31.2 48.1 38 31 A E H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 109.7 53.0 -56.8 -44.3 50.4 29.9 51.7 39 32 A W H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 113.1 42.0 -57.6 -50.4 48.2 33.0 52.3 40 33 A I H X>S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 5,-0.6 0.925 115.6 49.0 -64.6 -47.9 46.1 32.5 49.2 41 34 A Y H X5S+ 0 0 80 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.865 110.1 50.7 -62.0 -41.2 45.8 28.8 49.6 42 35 A T H <5S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.904 117.8 38.8 -62.5 -43.6 44.7 29.0 53.2 43 36 A R H <5S+ 0 0 125 -4,-1.6 217,-0.3 -5,-0.2 -2,-0.2 0.753 136.3 13.5 -79.6 -28.8 42.0 31.5 52.5 44 37 A T H <5S- 0 0 5 -4,-2.2 215,-2.9 2,-0.2 -3,-0.2 0.693 88.2-120.6-122.8 -33.1 40.7 30.2 49.2 45 38 A G << + 0 0 1 -4,-1.3 2,-0.4 -5,-0.6 -4,-0.2 0.416 69.6 132.9 93.6 2.4 42.0 26.6 48.5 46 39 A I + 0 0 0 -6,-0.5 -1,-0.3 1,-0.2 236,-0.2 -0.718 24.2 161.5 -92.8 133.5 43.6 27.8 45.3 47 40 A K S S- 0 0 79 235,-2.7 -18,-1.7 1,-0.5 2,-0.3 0.683 73.1 -1.0-109.0 -45.8 47.2 26.9 44.4 48 41 A T E -J 28 0B 21 234,-2.1 -1,-0.5 -20,-0.2 2,-0.3 -0.925 59.2-165.3-139.1 164.4 47.2 27.6 40.7 49 42 A R E -J 27 0B 0 -22,-1.6 -22,-3.4 -2,-0.3 2,-0.4 -0.971 22.3-115.8-145.4 159.9 44.7 28.8 38.0 50 43 A R E -J 26 0B 67 234,-0.5 116,-2.6 116,-0.3 2,-0.4 -0.815 19.8-160.5 -99.4 138.7 44.6 28.9 34.1 51 44 A F E -J 25 0B 11 -26,-1.9 -26,-0.7 -2,-0.4 97,-0.1 -0.968 19.7-125.8-114.7 131.9 44.5 32.0 32.0 52 45 A A - 0 0 7 -2,-0.4 96,-0.0 1,-0.1 2,-0.0 -0.322 31.6-101.8 -66.7 154.6 43.4 31.9 28.4 53 46 A A > - 0 0 45 1,-0.1 3,-1.1 4,-0.1 -1,-0.1 -0.248 33.7-104.5 -69.9 165.9 45.6 33.3 25.6 54 47 A D T 3 S+ 0 0 162 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.822 121.7 50.7 -63.1 -33.3 44.9 36.7 24.1 55 48 A D T 3 S+ 0 0 142 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.474 96.0 91.9 -84.3 -3.7 43.4 35.2 20.9 56 49 A E < - 0 0 32 -3,-1.1 2,-0.3 4,-0.1 -4,-0.0 -0.628 54.8-178.0 -90.1 152.6 41.1 33.0 23.0 57 50 A S > - 0 0 52 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.838 44.3 -95.6-138.6 174.6 37.5 34.1 24.0 58 51 A A H > S+ 0 0 4 31,-0.4 4,-1.6 -2,-0.3 89,-0.1 0.929 125.2 46.2 -58.4 -46.6 34.5 32.9 26.0 59 52 A A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.0 52.3 -63.2 -42.6 33.0 31.5 22.7 60 53 A S H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 111.9 44.8 -67.1 -39.6 36.1 29.8 21.4 61 54 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.848 110.8 55.7 -69.7 -36.2 36.8 27.9 24.6 62 55 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.882 106.4 51.4 -60.4 -40.3 33.1 27.0 24.7 63 56 A T H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 110.1 47.7 -63.6 -46.0 33.4 25.5 21.2 64 57 A E H X S+ 0 0 51 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.910 112.1 50.3 -62.3 -42.6 36.4 23.4 22.2 65 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 105,-0.4 0.893 109.6 51.0 -60.5 -42.8 34.5 22.2 25.3 66 59 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.890 106.2 54.8 -63.3 -41.8 31.5 21.3 23.2 67 60 A R H X S+ 0 0 113 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.897 111.6 45.4 -53.9 -45.0 33.7 19.3 20.8 68 61 A R H X S+ 0 0 103 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.869 110.7 51.7 -71.2 -39.7 35.0 17.3 23.8 69 62 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -50,-0.2 -2,-0.2 0.895 109.4 52.0 -60.7 -42.5 31.5 16.8 25.3 70 63 A L H X>S+ 0 0 10 -4,-2.5 5,-3.1 2,-0.2 4,-0.6 0.920 109.0 49.2 -60.3 -46.3 30.3 15.5 21.9 71 64 A S H ><5S+ 0 0 90 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.892 110.7 50.3 -61.8 -42.2 33.1 13.0 21.7 72 65 A N H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.759 112.2 47.1 -68.8 -27.0 32.5 11.7 25.2 73 66 A A H 3<5S- 0 0 25 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.519 115.2-119.4 -86.2 -8.8 28.7 11.3 24.5 74 67 A G T <<5S+ 0 0 65 -4,-0.6 2,-0.3 -3,-0.6 -3,-0.2 0.883 71.0 125.9 70.1 41.2 29.7 9.5 21.2 75 68 A L < - 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