==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-APR-09 3H7Q . COMPND 2 MOLECULE: HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.POULSEN,M.WILMANNS,Y.H.SONG . 120 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 1 0.8 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 . 8 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 -1 A G 0 0 119 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.5 -4.7 4.0 53.2 2 0 A A + 0 0 93 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.664 360.0 164.9 -80.1 116.2 -2.5 0.9 53.5 3 1 A M - 0 0 71 -2,-0.6 2,-0.4 119,-0.2 117,-0.0 -0.908 29.4-150.9-135.4 155.9 -3.0 -1.3 50.4 4 2 A G E -A 121 0A 34 117,-2.3 117,-2.6 -2,-0.3 2,-0.4 -0.955 30.0-111.2-123.3 147.6 -1.5 -4.2 48.5 5 3 A I E -A 120 0A 118 -2,-0.4 115,-0.3 115,-0.2 3,-0.1 -0.646 29.2-178.5 -79.3 132.6 -1.8 -4.9 44.8 6 4 A V E - 0 0 35 113,-3.2 64,-0.3 -2,-0.4 2,-0.3 0.672 61.2 -11.6-103.8 -24.6 -3.9 -8.0 44.1 7 5 A G E -A 119 0A 10 112,-1.3 112,-2.6 62,-0.1 -1,-0.3 -0.963 51.8-150.5-173.2 155.0 -3.7 -8.2 40.3 8 6 A V E +A 118 0A 91 -2,-0.3 2,-0.3 56,-0.2 110,-0.2 -0.984 13.8 179.7-137.8 149.1 -2.6 -6.4 37.1 9 7 A G E -A 117 0A 5 108,-2.1 108,-2.6 -2,-0.3 2,-0.4 -0.989 8.4-175.6-152.2 135.7 -3.9 -6.5 33.5 10 8 A I E -A 116 0A 116 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.992 9.9-175.7-130.4 144.5 -3.1 -4.8 30.2 11 9 A D E -A 115 0A 21 104,-2.4 104,-1.9 -2,-0.4 2,-0.4 -0.981 11.5-162.4-146.2 135.4 -4.9 -5.2 26.9 12 10 A L E -A 114 0A 121 -2,-0.4 2,-0.5 102,-0.2 102,-0.2 -0.911 9.5-166.6-114.3 137.6 -4.5 -4.1 23.3 13 11 A V E -A 113 0A 14 100,-2.9 100,-2.0 -2,-0.4 2,-0.5 -0.920 18.0-142.2-132.3 110.2 -7.3 -4.1 20.7 14 12 A S E > -A 112 0A 45 -2,-0.5 4,-2.0 98,-0.2 98,-0.2 -0.552 16.5-153.3 -60.8 117.7 -6.9 -3.6 16.9 15 13 A I H > S+ 0 0 3 96,-2.8 4,-2.6 -2,-0.5 5,-0.2 0.908 91.7 51.2 -65.7 -43.7 -10.0 -1.6 16.1 16 14 A P H > S+ 0 0 22 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.897 112.9 46.0 -60.3 -40.3 -10.3 -2.9 12.5 17 15 A D H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.863 111.7 53.3 -68.2 -35.8 -10.0 -6.5 13.7 18 16 A F H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.922 105.6 52.7 -62.4 -45.3 -12.6 -5.7 16.3 19 17 A A H X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.821 110.5 48.2 -62.2 -33.7 -15.1 -4.2 13.8 20 18 A E H < S+ 0 0 159 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.879 120.9 34.7 -72.4 -39.7 -14.8 -7.4 11.7 21 19 A Q H < S+ 0 0 104 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.729 98.1 78.4 -89.9 -26.2 -15.3 -9.8 14.6 22 20 A V H < S+ 0 0 0 -4,-2.6 2,-1.9 1,-0.2 -1,-0.1 0.877 82.8 64.3 -60.8 -43.3 -17.8 -8.0 16.9 23 21 A D S < S+ 0 0 63 -4,-0.5 -1,-0.2 15,-0.3 -4,-0.0 -0.493 72.2 125.7 -85.0 74.2 -21.0 -8.6 15.0 24 22 A Q > - 0 0 110 -2,-1.9 3,-1.2 -3,-0.1 6,-0.5 -0.994 58.5-120.3-133.3 127.2 -21.1 -12.4 15.4 25 23 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.274 91.4 14.1 -64.9 147.7 -24.1 -14.3 16.8 26 24 A G T 3 S+ 0 0 76 1,-0.2 2,-0.1 2,-0.1 0, 0.0 0.561 97.6 124.6 68.2 10.7 -23.7 -16.5 19.9 27 25 A T S <> S- 0 0 33 -3,-1.2 4,-1.0 -5,-0.1 -1,-0.2 -0.440 80.6-104.0 -95.4 171.1 -20.3 -15.0 20.8 28 26 A V H > S+ 0 0 57 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.841 124.8 61.1 -60.3 -30.9 -19.1 -13.4 24.0 29 27 A F H >> S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 3,-1.4 0.940 100.4 52.5 -57.3 -47.2 -19.5 -10.2 22.0 30 28 A A H 34 S+ 0 0 32 -6,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 108.9 49.8 -63.2 -24.6 -23.2 -10.9 21.6 31 29 A E H 3< S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.574 118.2 40.2 -87.1 -9.8 -23.5 -11.3 25.4 32 30 A T H << S+ 0 0 38 -3,-1.4 2,-0.4 -4,-0.6 -2,-0.2 0.778 115.4 38.9-111.0 -40.0 -21.7 -8.0 26.0 33 31 A F S < S- 0 0 6 -4,-3.0 -1,-0.2 -5,-0.1 19,-0.0 -0.903 83.0-110.3-117.8 147.4 -23.0 -5.6 23.4 34 32 A T > - 0 0 76 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.316 33.9-108.4 -67.4 153.7 -26.5 -5.1 22.0 35 33 A P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.889 121.8 50.5 -48.3 -42.8 -27.2 -6.1 18.4 36 34 A G H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 108.9 49.3 -64.9 -43.5 -27.4 -2.4 17.5 37 35 A E H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 112.5 49.5 -60.8 -38.8 -24.1 -1.5 19.2 38 36 A R H X S+ 0 0 20 -4,-2.4 4,-0.6 2,-0.2 -15,-0.3 0.837 110.0 48.6 -74.9 -33.5 -22.5 -4.4 17.3 39 37 A R H >< S+ 0 0 151 -4,-2.0 3,-0.8 -5,-0.2 4,-0.2 0.946 113.2 48.0 -67.7 -50.4 -23.8 -3.5 13.9 40 38 A D H >< S+ 0 0 102 -4,-2.3 3,-1.8 1,-0.3 9,-0.3 0.947 111.8 49.3 -50.4 -53.8 -22.8 0.2 14.4 41 39 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.642 89.7 83.5 -66.6 -14.4 -19.3 -0.9 15.5 42 40 A S T << S+ 0 0 56 -3,-0.8 2,-0.9 -4,-0.6 -1,-0.3 0.630 74.6 81.1 -63.0 -15.1 -19.1 -3.2 12.5 43 41 A D S X S- 0 0 85 -3,-1.8 3,-2.2 -4,-0.2 6,-0.4 -0.844 73.5-158.5 -95.6 104.1 -18.0 -0.0 10.6 44 42 A K T 3 S+ 0 0 123 -2,-0.9 -1,-0.1 1,-0.3 -25,-0.1 0.705 86.9 54.5 -61.2 -23.8 -14.3 0.2 11.5 45 43 A S T 3 S+ 0 0 92 4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.398 89.8 105.9 -90.7 3.5 -14.0 3.9 10.7 46 44 A S S <> S- 0 0 20 -3,-2.2 4,-1.1 -6,-0.2 -5,-0.0 -0.309 75.9-129.3 -81.6 164.1 -16.9 4.8 13.0 47 45 A S H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.788 110.9 61.6 -78.7 -29.1 -16.6 6.5 16.4 48 46 A A H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -7,-0.2 0.859 102.8 48.8 -63.2 -37.9 -18.9 3.7 17.7 49 47 A A H > S+ 0 0 0 -6,-0.4 4,-2.0 -9,-0.3 -1,-0.2 0.899 108.9 55.2 -66.6 -40.6 -16.2 1.1 16.7 50 48 A R H X S+ 0 0 76 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.926 113.5 38.4 -56.6 -51.2 -13.6 3.3 18.5 51 49 A H H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.892 112.9 53.7 -73.6 -41.1 -15.4 3.4 21.8 52 50 A L H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.885 108.4 52.4 -62.2 -37.8 -16.7 -0.2 21.9 53 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.894 108.7 49.5 -62.6 -41.9 -13.2 -1.4 21.3 54 52 A A H X S+ 0 0 2 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.864 110.8 49.9 -66.8 -37.5 -11.9 0.6 24.3 55 53 A R H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 112.2 48.3 -65.6 -37.7 -14.7 -0.8 26.5 56 54 A W H X S+ 0 0 27 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.910 109.9 51.5 -71.2 -41.7 -13.8 -4.3 25.3 57 55 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 58,-0.2 0.905 110.7 49.3 -59.2 -43.0 -10.1 -3.6 26.0 58 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.954 109.4 50.1 -62.4 -50.0 -10.9 -2.4 29.5 59 57 A K H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.899 112.6 49.2 -54.8 -39.8 -13.1 -5.4 30.3 60 58 A E H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.887 108.5 51.4 -69.3 -40.1 -10.2 -7.7 29.1 61 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 56,-0.2 0.905 111.5 48.7 -63.0 -40.4 -7.6 -5.9 31.2 62 60 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.904 109.6 51.7 -65.5 -42.9 -9.9 -6.3 34.3 63 61 A I H X S+ 0 0 40 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.910 109.7 50.3 -60.4 -42.6 -10.4 -10.0 33.5 64 62 A K H X S+ 0 0 96 -4,-2.4 4,-1.7 1,-0.2 -56,-0.2 0.904 108.8 51.2 -61.5 -43.0 -6.6 -10.5 33.3 65 63 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -58,-0.2 -2,-0.2 0.884 117.8 39.4 -62.8 -37.5 -6.1 -8.8 36.6 66 64 A W H ><>S+ 0 0 57 -4,-2.0 3,-2.2 2,-0.2 5,-0.6 0.897 110.7 55.6 -78.7 -45.0 -8.6 -11.0 38.3 67 65 A S H 3<5S+ 0 0 68 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.836 108.6 49.6 -60.7 -33.9 -7.8 -14.3 36.5 68 66 A G T 3<5S+ 0 0 73 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.332 105.1 88.0 -83.0 7.8 -4.2 -14.0 37.7 69 67 A S T < 5S- 0 0 15 -3,-2.2 -62,-0.1 2,-0.3 -3,-0.1 -0.546 96.7 -95.4-109.5 172.5 -5.5 -13.3 41.2 70 68 A R T 5S+ 0 0 187 -64,-0.3 2,-0.7 -2,-0.2 -3,-0.1 0.288 97.8 94.7 -70.6 11.2 -6.5 -15.4 44.3 71 69 A F < 0 0 18 -5,-0.6 -2,-0.3 1,-0.0 -1,-0.0 -0.923 360.0 360.0-107.6 111.7 -10.1 -15.3 43.1 72 70 A A 0 0 115 -2,-0.7 -5,-0.0 -4,-0.1 -1,-0.0 -0.486 360.0 360.0-167.6 360.0 -11.1 -18.3 41.1 73 ! 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 74 79 A I 0 0 107 0, 0.0 19,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 45.9 -19.2 -15.5 34.6 75 80 A H > + 0 0 35 1,-0.1 3,-1.0 2,-0.1 -12,-0.0 0.566 360.0 66.7 -99.5 -16.6 -17.9 -12.8 32.2 76 81 A R T 3 S+ 0 0 67 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 0.379 89.0 70.6 -81.5 3.7 -21.4 -11.4 31.8 77 82 A D T 3 S+ 0 0 37 1,-0.1 13,-2.2 12,-0.1 2,-0.5 0.548 88.2 71.5 -92.5 -11.5 -21.0 -10.4 35.5 78 83 A I E < +C 89 0B 11 -3,-1.0 2,-0.4 11,-0.2 11,-0.2 -0.930 61.2 177.4-112.4 120.8 -18.4 -7.7 34.6 79 84 A E E -C 88 0B 101 9,-2.7 9,-2.7 -2,-0.5 2,-0.5 -0.945 15.8-154.1-122.9 140.0 -19.6 -4.5 32.8 80 85 A V E -C 87 0B 7 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.961 16.9-179.5-115.5 121.7 -17.5 -1.5 31.8 81 86 A V E C 86 0B 40 5,-2.7 5,-4.0 -2,-0.5 -2,-0.0 -0.899 360.0 360.0-118.9 146.1 -19.2 1.9 31.5 82 87 A T 0 0 95 -2,-0.3 -1,-0.1 3,-0.3 5,-0.1 0.646 360.0 360.0-105.2 360.0 -17.9 5.3 30.5 83 ! 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 84 92 A R 0 0 99 0, 0.0 2,-0.3 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 156.3 -14.3 7.9 32.4 85 93 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 19,-0.3 -0.550 360.0-175.1 -72.8 126.0 -14.2 4.1 32.6 86 94 A R E -C 81 0B 148 -5,-4.0 -5,-2.7 -2,-0.3 2,-0.5 -0.950 16.3-140.5-120.9 143.0 -16.4 2.6 35.5 87 95 A V E -C 80 0B 34 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.903 16.9-176.5-106.6 126.1 -16.6 -1.0 36.5 88 96 A R E -C 79 0B 114 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.3 -0.982 9.1-163.4-119.5 128.2 -20.0 -2.5 37.5 89 97 A L E -C 78 0B 42 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.807 5.9-172.8-113.1 152.1 -20.1 -6.1 38.8 90 98 A T > - 0 0 70 -13,-2.2 4,-1.3 -2,-0.3 3,-0.5 -0.905 45.5 -10.7-136.5 166.7 -23.0 -8.5 39.2 91 99 A G H > S+ 0 0 49 -2,-0.3 4,-1.3 1,-0.2 3,-0.1 -0.087 120.5 1.4 50.5-134.9 -23.8 -11.9 40.6 92 100 A A H >> S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.911 133.5 45.8 -52.5 -58.8 -20.9 -14.1 41.7 93 101 A I H 3> S+ 0 0 8 -3,-0.5 4,-2.6 1,-0.3 -1,-0.2 0.861 103.0 64.5 -61.1 -37.8 -18.0 -11.9 41.0 94 102 A A H 3< S+ 0 0 30 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.923 107.7 44.2 -46.7 -46.9 -19.6 -8.9 42.6 95 103 A E H X< S+ 0 0 162 -4,-1.3 3,-1.0 -3,-0.7 4,-0.2 0.869 109.5 55.4 -68.4 -40.2 -19.4 -10.8 45.8 96 104 A Y H 3< S+ 0 0 120 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.921 117.9 33.6 -56.7 -47.1 -15.9 -12.0 45.3 97 105 A L T >< S+ 0 0 6 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.106 77.7 122.0-103.0 20.2 -14.5 -8.5 44.9 98 106 A A T < S+ 0 0 72 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.840 87.8 34.9 -49.8 -36.5 -16.9 -6.8 47.3 99 107 A D T 3 S+ 0 0 139 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.025 99.3 99.6-110.1 27.2 -13.8 -5.6 49.2 100 108 A V < - 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