==== 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 TRANSFERASE 29-JUL-04 1U6E . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.MUSSAYEV,S.SACHEDEVA,J.N.SCARSDALE,K.A.REYNOLDS,H.T.WRIGHT . 668 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 13.9 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 1 2 0 0 2 2 0 0 0 0 0 0 2 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 5 1 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 0 207 0, 0.0 2,-0.3 0, 0.0 585,-0.0 0.000 360.0 360.0 360.0-157.8 7.3 -23.7 26.7 2 -9 A T - 0 0 35 584,-0.1 2,-0.4 580,-0.0 580,-0.1 -0.945 360.0-130.3-145.9 161.9 9.6 -20.6 26.2 3 -8 A E - 0 0 80 -2,-0.3 3,-0.1 578,-0.2 515,-0.1 -0.972 32.6-111.5-119.5 129.7 9.6 -16.9 25.6 4 -7 A I - 0 0 1 513,-0.6 513,-0.2 -2,-0.4 577,-0.2 -0.359 46.5-105.3 -56.3 129.4 11.7 -15.1 22.9 5 -6 A A - 0 0 34 575,-3.0 2,-0.5 -2,-0.1 -1,-0.1 -0.160 23.9-140.8 -60.9 149.4 14.5 -13.1 24.6 6 -5 A T + 0 0 71 -3,-0.1 2,-0.3 514,-0.1 514,-0.1 -0.968 29.1 170.0-111.8 127.3 14.3 -9.3 24.9 7 -4 A T - 0 0 73 -2,-0.5 2,-0.3 131,-0.1 133,-0.1 -0.816 11.9-176.9-129.0 169.6 17.6 -7.5 24.3 8 -3 A S - 0 0 95 -2,-0.3 130,-0.3 131,-0.1 131,-0.2 -0.975 10.9-148.5-159.0 164.5 18.9 -3.9 23.9 9 -2 A G - 0 0 32 128,-3.1 2,-0.5 -2,-0.3 128,-0.2 -0.216 57.4 -37.9-112.4-152.5 22.1 -2.0 23.2 10 -1 A A - 0 0 28 126,-0.3 129,-0.2 1,-0.1 -1,-0.1 -0.641 47.2-155.4 -78.4 124.7 23.3 1.5 24.3 11 1 A R S S+ 0 0 130 -2,-0.5 2,-0.7 1,-0.1 -1,-0.1 0.761 75.8 77.0 -74.2 -26.4 20.4 3.9 24.2 12 2 A S + 0 0 27 167,-0.1 167,-1.5 170,-0.1 2,-0.3 -0.795 63.8 169.6 -91.7 113.5 22.6 7.0 23.7 13 3 A V E +A 178 0A 0 -2,-0.7 170,-2.6 165,-0.2 171,-1.1 -0.939 2.4 163.8-126.8 144.6 23.8 7.2 20.1 14 4 A G E -A 177 0A 2 163,-2.9 163,-2.4 -2,-0.3 2,-0.5 -0.923 43.4 -84.2-150.6 174.2 25.6 9.9 18.1 15 5 A L E -A 176 0A 12 316,-0.5 161,-0.2 -2,-0.3 3,-0.1 -0.775 31.9-175.5 -85.2 124.3 27.5 10.8 15.0 16 6 A L E - 0 0 52 159,-3.3 318,-0.3 -2,-0.5 2,-0.3 0.684 64.6 -22.8 -92.5 -24.3 31.2 10.1 15.5 17 7 A S E -A 175 0A 0 158,-0.9 158,-1.7 317,-0.2 2,-0.3 -0.971 50.7-134.6-171.2 165.0 32.4 11.6 12.2 18 8 A V E -A 174 0A 4 -2,-0.3 2,-0.4 156,-0.2 156,-0.2 -0.975 16.3-169.7-128.3 147.6 31.5 12.6 8.7 19 9 A G E -A 173 0A 1 154,-2.4 154,-2.6 -2,-0.3 2,-0.4 -0.995 8.0-159.8-135.1 141.2 33.5 11.8 5.5 20 10 A A E -A 172 0A 19 -2,-0.4 2,-0.4 152,-0.2 152,-0.2 -0.957 11.8-166.7-128.6 141.8 32.8 13.3 2.1 21 11 A Y E -A 171 0A 37 150,-3.4 150,-2.3 -2,-0.4 47,-0.1 -0.979 7.2-178.3-125.6 119.4 33.7 12.4 -1.5 22 12 A R - 0 0 50 -2,-0.4 148,-0.1 148,-0.2 32,-0.1 -0.969 32.4-118.3-117.3 116.4 33.2 15.0 -4.3 23 13 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 31,-0.1 -0.135 23.2-117.3 -55.6 150.1 34.1 13.8 -7.8 24 14 A E S S+ 0 0 180 29,-0.1 2,-0.4 2,-0.1 31,-0.1 0.840 84.0 91.2 -57.7 -45.1 36.9 15.6 -9.6 25 15 A R E -J 54 0B 124 29,-0.7 29,-2.1 1,-0.1 2,-0.4 -0.407 60.0-156.7 -71.0 116.2 35.1 17.1 -12.6 26 16 A V E -J 53 0B 69 -2,-0.4 2,-0.5 27,-0.2 27,-0.2 -0.746 4.6-164.4 -87.2 132.8 33.6 20.5 -12.1 27 17 A V E -J 52 0B 1 25,-2.9 25,-1.8 -2,-0.4 2,-0.1 -0.982 10.4-154.4-116.8 116.6 30.7 21.4 -14.5 28 18 A T E > -J 51 0B 58 -2,-0.5 4,-1.8 23,-0.2 3,-0.4 -0.473 29.1-111.1 -86.3 162.1 29.8 25.1 -14.6 29 19 A N H > S+ 0 0 0 21,-1.6 4,-2.5 1,-0.2 5,-0.1 0.862 119.4 59.5 -54.5 -38.3 26.5 26.7 -15.5 30 20 A D H 4 S+ 0 0 112 2,-0.2 -1,-0.2 1,-0.2 8,-0.1 0.877 103.8 49.8 -59.4 -41.0 28.1 27.9 -18.8 31 21 A E H >4 S+ 0 0 62 -3,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.912 110.7 49.5 -64.6 -43.2 28.9 24.3 -19.7 32 22 A I H >< S+ 0 0 21 -4,-1.8 3,-1.8 1,-0.3 4,-0.4 0.900 101.7 64.5 -59.1 -42.0 25.3 23.2 -19.0 33 23 A C T 3< S+ 0 0 28 -4,-2.5 5,-0.3 1,-0.3 -1,-0.3 0.349 78.5 85.8 -70.3 7.6 24.1 26.2 -21.1 34 24 A Q T < S+ 0 0 134 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.1 0.731 102.3 28.9 -71.4 -24.8 25.6 24.6 -24.2 35 25 A H S < S+ 0 0 71 -3,-1.8 2,-0.3 123,-0.2 -2,-0.2 0.381 118.7 54.1-122.7 -0.3 22.4 22.5 -24.7 36 26 A I S S- 0 0 12 -4,-0.4 2,-1.4 124,-0.1 124,-0.1 -0.939 82.3-112.4-131.5 156.8 19.7 24.8 -23.3 37 27 A D S S+ 0 0 145 -2,-0.3 2,-0.2 -3,-0.0 -3,-0.1 -0.706 80.4 94.4 -86.5 85.2 18.5 28.3 -23.8 38 28 A S - 0 0 34 -2,-1.4 2,-0.3 -5,-0.3 3,-0.1 -0.805 59.6-127.3-151.2-168.0 19.5 29.7 -20.4 39 29 A S > - 0 0 52 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.970 28.4-110.6-148.1 162.0 22.3 31.6 -18.6 40 30 A D H > S+ 0 0 39 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.931 120.5 53.4 -54.9 -46.8 24.6 31.3 -15.5 41 31 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.1 46.5 -56.7 -45.1 22.7 34.3 -14.1 42 32 A W H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 114.0 46.3 -65.3 -48.3 19.3 32.6 -14.6 43 33 A I H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.6 0.946 114.8 47.0 -60.2 -50.5 20.3 29.2 -13.1 44 34 A Y H X5S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 112.8 49.0 -58.9 -44.6 21.9 30.8 -10.1 45 35 A T H <5S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.878 118.4 39.6 -64.4 -37.1 19.0 33.2 -9.4 46 36 A R H <5S+ 0 0 20 -4,-2.0 217,-0.3 -5,-0.2 -2,-0.2 0.779 136.3 11.9 -85.2 -29.0 16.4 30.4 -9.6 47 37 A T H <5S- 0 0 4 -4,-2.5 215,-2.5 -5,-0.2 -3,-0.2 0.571 88.7-121.1-125.8 -19.2 18.3 27.5 -7.9 48 38 A G << + 0 0 3 -4,-2.2 2,-0.4 -5,-0.6 -4,-0.2 0.517 67.6 135.1 81.2 7.0 21.4 29.0 -6.1 49 39 A I + 0 0 0 -6,-0.5 -1,-0.3 1,-0.2 236,-0.2 -0.761 23.1 161.8 -94.8 132.7 23.7 26.7 -8.1 50 40 A K S S- 0 0 71 235,-2.7 -21,-1.6 1,-0.5 2,-0.3 0.717 72.2 -5.5-109.3 -44.4 26.9 27.9 -9.7 51 41 A T E -J 28 0B 34 234,-2.3 -1,-0.5 -23,-0.2 237,-0.3 -0.931 59.5-165.1-142.6 166.8 28.8 24.7 -10.4 52 42 A R E -J 27 0B 0 -25,-1.8 -25,-2.9 -2,-0.3 2,-0.4 -0.968 22.6-113.1-148.9 162.8 28.3 21.0 -9.6 53 43 A R E -J 26 0B 73 234,-0.4 116,-2.5 116,-0.3 2,-0.4 -0.823 21.4-161.3-101.7 137.7 30.5 17.8 -9.7 54 44 A F E -J 25 0B 26 -29,-2.1 -29,-0.7 -2,-0.4 2,-0.1 -0.956 20.0-123.6-114.0 137.7 30.1 14.9 -12.1 55 45 A A - 0 0 6 -2,-0.4 2,-0.1 -31,-0.1 96,-0.0 -0.347 31.4-104.1 -71.5 156.1 31.6 11.4 -11.4 56 46 A A > - 0 0 45 1,-0.1 3,-1.6 4,-0.1 -1,-0.1 -0.318 31.9-105.8 -74.7 163.7 33.9 9.8 -14.0 57 47 A D T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.846 121.1 54.0 -60.0 -33.1 32.7 7.0 -16.3 58 48 A D T 3 S+ 0 0 146 2,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.410 97.0 86.5 -83.7 2.0 34.6 4.4 -14.2 59 49 A E < - 0 0 32 -3,-1.6 2,-0.3 4,-0.0 3,-0.0 -0.682 54.6-176.4-100.6 157.1 32.9 5.5 -11.0 60 50 A S > - 0 0 52 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.879 45.5 -97.4-138.5 171.8 29.6 4.4 -9.5 61 51 A A H > S+ 0 0 4 31,-0.5 4,-2.2 -2,-0.3 5,-0.1 0.909 127.1 49.6 -53.4 -43.2 27.4 5.1 -6.5 62 52 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 109.6 48.3 -65.0 -48.8 29.1 2.1 -4.9 63 53 A S H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 113.6 47.5 -61.5 -40.3 32.6 3.3 -5.6 64 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.881 109.8 53.5 -67.2 -38.6 31.9 6.8 -4.3 65 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.919 106.6 52.5 -57.8 -48.1 30.2 5.4 -1.1 66 56 A T H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 110.3 47.3 -55.4 -47.9 33.3 3.3 -0.4 67 57 A E H X S+ 0 0 62 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.913 111.5 50.5 -63.2 -42.3 35.6 6.3 -0.6 68 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 105,-0.3 0.904 111.1 49.6 -60.5 -41.9 33.2 8.4 1.6 69 59 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.902 107.2 54.3 -63.5 -43.0 33.2 5.6 4.2 70 60 A R H X S+ 0 0 113 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 111.6 45.7 -54.5 -45.5 37.0 5.4 4.1 71 61 A R H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.872 110.8 51.6 -69.5 -39.6 37.2 9.1 4.9 72 62 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.900 110.0 50.4 -61.3 -42.9 34.5 8.9 7.6 73 63 A L H X>S+ 0 0 11 -4,-2.7 5,-2.9 2,-0.2 4,-0.9 0.925 111.6 47.6 -61.6 -44.8 36.5 6.0 9.3 74 64 A S H ><5S+ 0 0 89 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.904 110.9 51.5 -62.6 -42.7 39.7 8.1 9.2 75 65 A N H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.734 112.2 47.0 -67.5 -23.5 37.9 11.1 10.6 76 66 A A H 3<5S- 0 0 29 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.593 111.3-121.2 -88.3 -14.4 36.6 9.0 13.4 77 67 A G T <<5S+ 0 0 69 -4,-0.9 2,-0.2 -3,-0.7 -3,-0.2 0.798 73.9 122.3 72.0 32.0 40.0 7.4 14.1 78 68 A L < - 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