==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAR-09 2WDY . COMPND 2 MOLECULE: HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR P.DALL'AGLIO,C.ARTHUR,M.P.CRUMP,J.CROSBY,A.T.HADFIELD . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 69.1 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 . 29 23.6 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 1.6 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 1 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 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 . 1 0 0 0 1 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 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 M 0 0 131 0, 0.0 2,-0.3 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 162.8 -16.7 12.4 46.9 2 2 A S - 0 0 82 121,-2.9 121,-2.6 0, 0.0 2,-0.3 -0.901 360.0 -69.8-145.1-178.2 -14.9 9.2 47.1 3 3 A I E +A 122 0A 117 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.582 36.7 177.8 -76.3 131.2 -13.5 6.5 44.9 4 4 A I E - 0 0 56 117,-3.1 2,-0.3 1,-0.4 118,-0.2 0.753 65.0 -15.8-100.5 -33.8 -16.1 4.3 43.2 5 5 A G E -A 121 0A 11 116,-1.6 116,-2.8 2,-0.0 -1,-0.4 -0.986 48.9-151.0-165.4 157.2 -13.7 2.1 41.2 6 6 A V E -A 120 0A 95 -2,-0.3 2,-0.3 114,-0.2 114,-0.2 -0.975 14.3-171.8-129.6 146.3 -10.3 1.6 39.8 7 7 A G E -A 119 0A 3 112,-2.4 112,-2.4 -2,-0.4 2,-0.3 -0.997 5.7-175.5-134.6 144.3 -9.2 -0.3 36.7 8 8 A I E +A 118 0A 110 -2,-0.3 2,-0.3 110,-0.2 110,-0.2 -0.976 8.0 177.8-129.3 146.7 -5.8 -1.3 35.2 9 9 A D E -A 117 0A 23 108,-1.9 108,-1.9 -2,-0.3 2,-0.4 -0.966 12.9-164.2-150.4 141.0 -5.2 -2.9 31.9 10 10 A V E -A 116 0A 85 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.985 10.7-169.4-123.9 130.2 -2.1 -4.0 30.0 11 11 A A E -A 115 0A 10 104,-3.1 104,-3.0 -2,-0.4 2,-0.7 -0.964 25.1-125.7-121.6 136.5 -2.2 -4.9 26.3 12 12 A E E > -A 114 0A 120 -2,-0.4 4,-2.2 102,-0.2 102,-0.2 -0.759 21.6-149.1 -79.4 115.3 0.5 -6.5 24.2 13 13 A V H > S+ 0 0 24 100,-2.3 4,-2.5 -2,-0.7 5,-0.2 0.876 92.2 49.1 -55.8 -45.8 1.0 -4.1 21.3 14 14 A E H > S+ 0 0 155 99,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.895 112.0 48.8 -62.6 -44.4 2.0 -6.7 18.6 15 15 A R H > S+ 0 0 192 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 111.8 50.0 -62.3 -40.6 -1.0 -8.9 19.5 16 16 A F H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 110.1 49.2 -67.2 -43.1 -3.4 -5.9 19.3 17 17 A G H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 109.3 52.8 -62.0 -42.1 -2.1 -4.8 15.9 18 18 A A H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 107.6 52.2 -60.5 -38.5 -2.4 -8.3 14.6 19 19 A A H X S+ 0 0 37 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.906 109.5 48.5 -65.3 -42.4 -6.0 -8.4 15.7 20 20 A L H < S+ 0 0 24 -4,-2.0 7,-0.3 1,-0.2 6,-0.3 0.891 113.8 46.6 -63.3 -41.0 -6.8 -5.1 13.9 21 21 A E H < S+ 0 0 169 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 107.9 56.5 -72.2 -34.8 -5.2 -6.3 10.7 22 22 A R H < S+ 0 0 212 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 117.0 32.2 -62.6 -43.0 -6.9 -9.8 10.8 23 23 A T >< - 0 0 45 -4,-1.6 3,-2.1 1,-0.1 4,-0.5 -0.908 66.7-162.5-123.3 101.5 -10.5 -8.3 10.9 24 24 A P T > S+ 0 0 123 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.835 90.9 57.9 -50.1 -37.0 -11.0 -4.9 9.1 25 25 A A T 3> S+ 0 0 47 1,-0.2 4,-0.9 2,-0.1 3,-0.1 0.611 86.4 81.3 -69.5 -14.7 -14.2 -4.3 11.0 26 26 A L H X> S+ 0 0 40 -3,-2.1 4,-1.8 -6,-0.3 3,-0.9 0.905 83.6 55.6 -66.1 -45.1 -12.6 -4.4 14.4 27 27 A A H <> S+ 0 0 24 -3,-0.5 4,-2.6 -4,-0.5 3,-0.3 0.916 109.3 48.7 -53.8 -44.1 -11.1 -0.9 14.6 28 28 A G H 34 S+ 0 0 51 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.684 108.8 53.3 -72.5 -18.6 -14.6 0.6 14.0 29 29 A R H << S+ 0 0 153 -4,-0.9 43,-0.3 -3,-0.9 42,-0.3 0.795 119.1 34.1 -80.4 -30.6 -16.2 -1.6 16.7 30 30 A L H < S+ 0 0 9 -4,-1.8 2,-0.4 -3,-0.3 -2,-0.2 0.778 118.6 45.0 -92.1 -31.5 -13.6 -0.5 19.3 31 31 A F < - 0 0 5 -4,-2.6 2,-0.1 -5,-0.2 -1,-0.1 -0.917 68.4-128.4-127.5 140.3 -13.0 3.2 18.4 32 32 A L >> - 0 0 55 -2,-0.4 4,-1.0 42,-0.2 3,-1.0 -0.479 41.2-105.2 -71.5 155.0 -14.8 6.3 17.3 33 33 A E G >4 S+ 0 0 167 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.873 121.4 55.6 -45.3 -45.9 -13.6 8.1 14.2 34 34 A S G >4 S+ 0 0 62 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.830 102.4 54.7 -62.3 -34.3 -12.0 10.8 16.3 35 35 A E G <4 S+ 0 0 2 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.746 99.8 61.8 -72.3 -22.9 -9.9 8.3 18.3 36 36 A L G << S+ 0 0 20 -4,-1.0 8,-2.8 -3,-0.7 2,-0.3 0.521 98.3 70.2 -83.8 -4.3 -8.4 6.8 15.1 37 37 A L B < S-C 43 0B 55 -3,-1.0 6,-0.2 -4,-0.3 5,-0.1 -0.860 74.9-129.9-116.5 147.6 -6.8 10.2 14.2 38 38 A L > - 0 0 61 4,-3.3 3,-1.5 -2,-0.3 6,-0.1 -0.511 42.2 -97.3 -81.5 159.3 -3.9 12.2 15.6 39 39 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.825 125.6 52.7 -45.4 -38.4 -4.4 15.9 16.3 40 40 A G T 3 S- 0 0 58 1,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.744 123.2-101.6 -71.5 -26.6 -2.9 16.8 12.9 41 41 A G S < S+ 0 0 45 -3,-1.5 3,-0.1 1,-0.4 -1,-0.0 0.228 79.7 128.8 120.5 -12.4 -5.1 14.5 10.9 42 42 A E S S- 0 0 110 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.310 70.7 -88.6 -68.9 157.3 -2.7 11.6 10.4 43 43 A R B -C 37 0B 167 -6,-0.2 -6,-0.3 1,-0.1 -1,-0.1 -0.528 45.5-113.7 -72.4 129.7 -3.8 8.0 11.3 44 44 A R - 0 0 28 -8,-2.8 -1,-0.1 -2,-0.3 -9,-0.0 -0.388 35.0-115.9 -64.1 138.8 -3.1 7.0 14.9 45 45 A G > - 0 0 41 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.193 21.2-105.3 -76.9 168.9 -0.5 4.3 15.4 46 46 A V H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 115.6 50.5 -65.2 -43.9 -0.9 0.8 16.9 47 47 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.5 48.3 -61.9 -41.0 0.7 1.4 20.2 48 48 A S H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.877 112.8 47.6 -68.3 -38.2 -1.4 4.5 20.8 49 49 A L H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.893 108.6 55.0 -67.5 -39.1 -4.6 2.7 19.9 50 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.876 106.8 51.1 -61.8 -37.9 -3.6 -0.2 22.1 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.865 109.4 50.4 -66.3 -37.3 -3.3 2.2 25.0 52 52 A R H X S+ 0 0 15 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.897 110.0 49.8 -67.1 -40.2 -6.7 3.6 24.2 53 53 A F H X S+ 0 0 37 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 109.7 51.5 -59.8 -45.7 -8.2 0.0 24.2 54 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.879 107.8 53.8 -57.9 -38.9 -6.5 -0.6 27.5 55 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.905 108.3 47.9 -63.8 -41.6 -8.1 2.6 28.8 56 56 A K H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.893 112.9 48.3 -68.3 -38.1 -11.6 1.4 27.8 57 57 A E H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 111.7 50.1 -64.7 -41.5 -11.0 -2.0 29.4 58 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.902 110.4 50.7 -64.2 -39.0 -9.7 -0.3 32.6 59 59 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.935 108.9 50.7 -61.5 -46.5 -12.9 1.9 32.6 60 60 A A H ><>S+ 0 0 17 -4,-2.4 5,-3.3 1,-0.2 3,-0.6 0.922 110.3 50.1 -57.9 -45.7 -15.1 -1.2 32.2 61 61 A K H ><5S+ 0 0 103 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.891 105.2 56.4 -59.7 -42.6 -13.2 -2.8 35.2 62 62 A A H 3<5S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 110.5 46.3 -59.6 -25.8 -13.8 0.4 37.3 63 63 A L T <<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.302 123.4-103.5 -97.1 6.4 -17.5 -0.0 36.6 64 64 A G T < 5 - 0 0 55 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.675 49.9-101.6 76.8 17.2 -17.6 -3.8 37.4 65 65 A A < - 0 0 62 -5,-3.3 -1,-0.2 -6,-0.2 -4,-0.1 0.784 53.8-174.3 34.9 60.4 -17.8 -4.7 33.7 66 66 A P > - 0 0 44 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.293 33.0 -89.3 -72.3 163.5 -21.5 -5.5 33.4 67 67 A A T 3 S+ 0 0 105 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.346 104.9 44.4 -63.0 153.1 -23.0 -6.8 30.2 68 68 A G T 3 + 0 0 58 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.396 68.9 137.8 95.7 -3.1 -24.2 -4.2 27.6 69 69 A L < - 0 0 43 -3,-0.8 2,-0.4 22,-0.1 -1,-0.3 -0.615 43.1-143.6 -76.7 134.2 -21.4 -1.7 27.6 70 70 A L > - 0 0 93 -2,-0.3 3,-1.8 1,-0.1 22,-0.2 -0.847 9.6-140.0 -98.7 134.9 -20.5 -0.4 24.1 71 71 A W G > S+ 0 0 87 -2,-0.4 3,-1.5 1,-0.3 -39,-0.2 0.864 105.3 57.6 -52.8 -41.5 -16.8 0.3 23.3 72 72 A T G 3 S+ 0 0 44 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.490 91.4 70.1 -74.9 -3.4 -18.0 3.4 21.3 73 73 A D G < S+ 0 0 26 -3,-1.8 16,-2.4 15,-0.1 2,-0.4 0.339 92.7 65.6 -96.1 4.3 -19.7 4.8 24.4 74 74 A A E < S-D 88 0C 3 -3,-1.5 2,-0.5 14,-0.2 14,-0.2 -1.000 72.1-171.0-121.3 126.4 -16.3 5.5 26.0 75 75 A E E -D 87 0C 36 12,-2.8 12,-2.3 -2,-0.4 2,-0.6 -0.981 17.2-152.3-123.4 128.0 -14.2 8.1 24.2 76 76 A V E +D 86 0C 4 -2,-0.5 2,-0.2 10,-0.2 10,-0.2 -0.900 26.4 175.4 -91.5 116.9 -10.6 9.0 24.8 77 77 A W E -D 85 0C 69 8,-2.3 8,-2.7 -2,-0.6 2,-0.4 -0.715 21.2-128.0-116.3 171.9 -10.1 12.7 23.7 78 78 A V E -D 84 0C 53 -2,-0.2 5,-0.1 6,-0.2 2,-0.0 -0.980 7.4-137.8-132.5 123.9 -7.0 14.8 24.0 79 79 A E > - 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