==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-03 1PZQ . COMPND 2 MOLECULE: ERYTHRONOLIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR R.W.BROADHURST,D.NIETLISPACH,M.P.WHEATCROFT,P.F.LEADLAY, . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 65.8 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 . 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 . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 50.0 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+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 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 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 . 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 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 0 130 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -44.9 8.0 25.0 -1.5 2 2 A S - 0 0 117 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.352 360.0-104.9 -61.6 134.3 5.1 22.6 -2.4 3 3 A A S S+ 0 0 97 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.364 71.6 103.4 -62.8 135.1 5.0 19.5 -0.3 4 4 A A + 0 0 79 -2,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.758 13.4 126.0-173.0-139.6 6.3 16.4 -2.1 5 5 A S - 0 0 91 -2,-0.2 3,-0.1 3,-0.0 76,-0.1 0.688 55.8-108.9 64.5 128.2 9.3 14.1 -2.2 6 6 A P S S+ 0 0 63 0, 0.0 3,-0.2 0, 0.0 75,-0.1 0.127 93.6 55.5 -71.4-167.4 8.9 10.3 -1.7 7 7 A A + 0 0 40 1,-0.2 2,-2.8 71,-0.2 4,-0.1 0.849 61.7 171.9 44.0 42.9 10.1 8.3 1.3 8 8 A V S > S- 0 0 45 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 -0.361 85.3 -59.1 -77.3 57.5 8.0 10.6 3.5 9 9 A D T 4 S- 0 0 141 -2,-2.8 2,-4.0 1,-0.2 -1,-0.2 0.437 76.6-126.7 74.1 1.2 8.7 8.2 6.4 10 10 A I T >> S+ 0 0 10 1,-0.3 4,-1.9 2,-0.1 3,-1.4 -0.189 104.2 71.2 55.4 -50.3 7.0 5.9 3.9 11 11 A G H 3> S+ 0 0 20 -2,-4.0 4,-3.2 1,-0.3 -1,-0.3 0.662 87.1 69.7 -65.1 -11.9 4.4 4.8 6.5 12 12 A D H 3X S+ 0 0 64 -4,-0.5 4,-1.5 2,-0.2 -1,-0.3 0.868 102.4 41.3 -70.8 -36.4 3.1 8.3 6.1 13 13 A R H <> S+ 0 0 27 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.936 118.6 46.2 -71.8 -50.1 1.9 7.3 2.6 14 14 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.913 108.9 54.4 -56.8 -52.6 0.7 4.0 3.8 15 15 A D H X S+ 0 0 88 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.928 111.7 44.6 -51.0 -51.3 -1.1 5.4 6.8 16 16 A E H X S+ 0 0 78 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.775 110.5 57.4 -64.8 -28.3 -3.0 7.8 4.6 17 17 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.917 108.3 44.0 -69.0 -45.4 -3.6 4.9 2.2 18 18 A E H X S+ 0 0 28 -4,-2.7 4,-3.6 2,-0.2 -2,-0.2 0.896 112.3 52.5 -66.0 -42.1 -5.3 2.7 4.8 19 19 A K H X S+ 0 0 122 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.893 111.9 47.2 -61.4 -37.8 -7.2 5.7 6.0 20 20 A A H >X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-1.1 0.940 112.8 48.4 -64.6 -49.4 -8.3 6.2 2.5 21 21 A L H 3X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.3 -2,-0.2 0.890 98.6 66.7 -57.7 -44.1 -9.1 2.6 2.1 22 22 A E H 3< S+ 0 0 81 -4,-3.6 3,-0.3 1,-0.3 -1,-0.3 0.828 106.3 45.4 -47.8 -31.6 -11.0 2.7 5.3 23 23 A A H << S+ 0 0 38 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.3 0.916 115.2 44.1 -77.3 -47.3 -13.3 4.9 3.3 24 24 A L H >< S+ 0 0 13 -4,-1.7 3,-1.7 2,-0.1 2,-1.3 0.216 76.9 155.4 -82.3 14.2 -13.3 2.6 0.3 25 25 A S T 3< S- 0 0 42 -4,-0.7 -3,-0.1 -3,-0.3 -4,-0.0 -0.177 90.0 -45.5 -47.2 84.2 -13.7 -0.4 2.5 26 26 A A T 3 S+ 0 0 44 -2,-1.3 -1,-0.3 1,-0.1 3,-0.3 0.832 95.0 154.3 53.0 33.6 -15.3 -2.5 -0.2 27 27 A E S < S- 0 0 117 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.832 78.6 -10.4 -59.9 -38.1 -17.4 0.5 -1.0 28 28 A D S S- 0 0 139 -4,-0.4 -1,-0.2 0, 0.0 3,-0.1 -0.130 116.8 -65.4-162.3 52.2 -18.0 -0.6 -4.6 29 29 A G - 0 0 35 -3,-0.3 2,-1.9 1,-0.2 3,-0.4 0.941 61.7-180.0 61.6 49.5 -15.8 -3.5 -5.5 30 30 A H >> + 0 0 51 -6,-0.3 3,-2.2 1,-0.2 4,-0.9 -0.139 28.6 141.5 -75.5 44.6 -12.6 -1.5 -5.2 31 31 A D H 3> + 0 0 56 -2,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.714 62.8 71.2 -58.6 -18.8 -10.6 -4.6 -6.1 32 32 A D H 3> S+ 0 0 69 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.809 91.5 57.6 -67.2 -29.7 -8.5 -2.1 -8.0 33 33 A V H <> S+ 0 0 0 -3,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.935 107.9 43.8 -66.3 -47.4 -7.2 -0.9 -4.7 34 34 A G H X S+ 0 0 4 -4,-0.9 4,-3.2 2,-0.2 5,-0.3 0.826 108.5 59.1 -67.4 -31.6 -6.0 -4.3 -3.7 35 35 A Q H X S+ 0 0 87 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.892 113.2 38.7 -64.1 -36.9 -4.5 -4.8 -7.1 36 36 A R H X S+ 0 0 132 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.934 114.6 54.4 -74.6 -48.0 -2.4 -1.8 -6.5 37 37 A L H X S+ 0 0 0 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.859 115.4 39.7 -51.5 -43.2 -1.9 -2.7 -2.9 38 38 A E H X S+ 0 0 115 -4,-3.2 4,-3.4 2,-0.2 5,-0.4 0.946 111.6 54.8 -74.1 -51.0 -0.6 -6.1 -4.0 39 39 A S H X S+ 0 0 59 -4,-2.3 4,-1.7 -5,-0.3 5,-0.2 0.894 105.9 56.0 -48.2 -44.4 1.4 -4.8 -7.0 40 40 A L H X S+ 0 0 7 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.937 115.4 35.7 -53.4 -53.7 3.1 -2.5 -4.6 41 41 A L H X>S+ 0 0 9 -4,-1.3 4,-3.2 2,-0.3 5,-0.8 0.955 110.9 57.0 -68.4 -55.2 4.2 -5.3 -2.3 42 42 A R H X5S+ 0 0 182 -4,-3.4 4,-0.6 1,-0.3 -1,-0.2 0.832 117.4 40.2 -48.6 -27.6 4.9 -8.0 -4.9 43 43 A R H X5S+ 0 0 131 -4,-1.7 4,-1.3 -5,-0.4 -1,-0.3 0.795 120.8 45.0 -86.6 -32.9 7.2 -5.3 -6.2 44 44 A W H X5S+ 0 0 1 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.978 116.2 41.6 -72.5 -61.6 8.3 -4.4 -2.7 45 45 A N H X5S+ 0 0 48 -4,-3.2 4,-1.8 1,-0.2 -3,-0.2 0.847 112.8 57.3 -55.5 -38.0 8.8 -7.8 -1.3 46 46 A S H X S- 0 0 38 1,-0.2 4,-0.8 2,-0.1 5,-0.3 -0.342 80.6 -64.4 -77.0 58.4 -8.5 10.5 -2.6 70 9 B D T 4 - 0 0 135 -2,-2.6 2,-2.3 1,-0.2 -1,-0.2 0.257 67.9-122.4 76.9 -12.9 -9.4 8.2 -5.6 71 10 B I T > S+ 0 0 9 1,-0.2 4,-1.5 4,-0.0 -1,-0.2 -0.121 107.2 71.4 69.6 -40.8 -7.5 5.6 -3.5 72 11 B G H > S+ 0 0 28 -2,-2.3 4,-3.1 1,-0.2 5,-0.2 0.797 85.6 65.7 -72.8 -28.9 -5.2 5.1 -6.5 73 12 B D H X S+ 0 0 66 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.939 106.3 40.5 -58.0 -49.9 -3.5 8.5 -5.8 74 13 B R H > S+ 0 0 26 -5,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.905 115.1 52.8 -65.7 -42.1 -2.1 7.3 -2.5 75 14 B L H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.908 110.5 47.5 -59.4 -44.5 -1.2 3.9 -3.9 76 15 B D H X S+ 0 0 88 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.937 114.5 45.4 -63.2 -48.3 0.7 5.6 -6.8 77 16 B E H X S+ 0 0 75 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 111.0 54.1 -63.1 -39.4 2.5 7.9 -4.5 78 17 B L H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.915 111.1 46.0 -60.5 -43.7 3.3 5.1 -2.1 79 18 B E H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.953 108.3 53.8 -63.8 -52.5 4.8 3.1 -5.0 80 19 B K H X S+ 0 0 126 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.849 110.1 51.5 -51.0 -35.9 6.9 6.0 -6.3 81 20 B A H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.2 0.953 108.2 47.5 -67.9 -51.3 8.2 6.3 -2.8 82 21 B L H 3X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.3 -2,-0.2 0.818 99.6 70.6 -60.6 -29.1 9.2 2.6 -2.5 83 22 B E H 3< S+ 0 0 84 -4,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.896 111.5 30.7 -53.6 -39.0 10.8 3.0 -5.9 84 23 B A H << S+ 0 0 54 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.794 123.8 47.7 -86.4 -34.2 13.4 5.1 -4.1 85 24 B L H >< S+ 0 0 25 -4,-2.3 2,-1.5 -5,-0.1 3,-1.0 0.198 76.6 148.2 -90.1 11.8 13.1 3.2 -0.8 86 25 B S T 3< S- 0 0 27 -4,-0.7 -3,-0.1 1,-0.3 4,-0.1 -0.289 90.1 -48.5 -54.8 86.6 13.4 -0.1 -2.7 87 26 B A T 3 S+ 0 0 36 -2,-1.5 3,-0.4 4,-0.1 -1,-0.3 0.869 87.9 157.5 48.9 42.9 15.1 -2.1 0.0 88 27 B E S < S- 0 0 119 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.844 81.0 -5.4 -64.0 -35.6 17.6 0.8 0.5 89 28 B D S S- 0 0 137 -4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.276 124.6 -58.5-159.1 60.8 18.4 -0.4 4.0 90 29 B G > - 0 0 41 -3,-0.4 2,-1.2 1,-0.2 3,-0.5 0.950 63.6-179.6 60.9 50.3 16.2 -3.3 5.1 91 30 B H T >> + 0 0 44 1,-0.2 3,-1.7 -6,-0.2 4,-0.9 -0.050 31.0 138.2 -74.5 37.7 13.0 -1.3 4.6 92 31 B D H 3> + 0 0 48 -2,-1.2 4,-2.2 1,-0.3 3,-0.5 0.796 61.1 72.1 -53.0 -28.0 11.1 -4.4 5.8 93 32 B D H <> S+ 0 0 71 -3,-0.5 4,-2.0 1,-0.3 -1,-0.3 0.890 92.6 52.7 -55.8 -42.1 9.0 -1.8 7.7 94 33 B V H <> S+ 0 0 1 -3,-1.7 4,-2.9 1,-0.2 -1,-0.3 0.836 108.2 53.8 -63.7 -30.4 7.4 -0.7 4.5 95 34 B G H X S+ 0 0 2 -4,-0.9 4,-2.7 -3,-0.5 5,-0.2 0.921 106.4 48.4 -69.7 -45.7 6.6 -4.3 3.8 96 35 B Q H X S+ 0 0 97 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.880 117.6 44.0 -62.5 -37.0 4.8 -4.9 7.1 97 36 B R H X S+ 0 0 125 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.977 114.9 45.9 -69.6 -57.7 2.8 -1.7 6.5 98 37 B L H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.858 119.2 44.3 -52.3 -40.0 2.0 -2.3 2.8 99 38 B E H X S+ 0 0 103 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.916 110.8 51.9 -73.4 -46.0 1.1 -5.9 3.7 100 39 B S H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.893 108.7 52.3 -58.7 -41.1 -1.0 -5.0 6.8 101 40 B L H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.911 113.4 43.6 -60.7 -44.5 -3.0 -2.5 4.7 102 41 B L H X S+ 0 0 14 -4,-1.3 4,-3.4 -5,-0.2 5,-0.4 0.886 111.0 53.7 -70.0 -40.6 -3.7 -5.2 2.1 103 42 B R H X S+ 0 0 184 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.930 116.2 39.3 -60.1 -44.5 -4.5 -7.9 4.7 104 43 B R H X S+ 0 0 131 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.865 115.2 55.3 -71.0 -36.7 -7.0 -5.5 6.4 105 44 B W H X S+ 0 0 1 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.951 114.6 36.8 -59.9 -54.1 -8.1 -4.3 2.9 106 45 B N H X S+ 0 0 57 -4,-3.4 4,-2.2 2,-0.2 5,-0.2 0.891 111.3 60.9 -67.5 -41.9 -8.9 -7.8 1.6 107 46 B S H X S+ 0 0 69 -4,-2.2 4,-1.7 -5,-0.4 -1,-0.2 0.907 105.9 47.5 -52.2 -44.8 -10.3 -9.0 5.0 108 47 B R H < S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.877 106.0 59.4 -64.5 -38.0 -12.9 -6.3 4.8 109 48 B R H < S+ 0 0 83 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 105.9 47.2 -56.1 -48.0 -13.7 -7.3 1.2 110 49 B A H < S+ 0 0 82 -4,-2.2 2,-1.3 1,-0.1 -1,-0.2 0.890 91.4 90.1 -61.3 -40.6 -14.6 -10.9 2.3 111 50 B D < + 0 0 134 -4,-1.7 -1,-0.1 -5,-0.2 -4,-0.0 -0.421 65.0 107.3 -62.2 93.5 -16.7 -9.4 5.1 112 51 B A S S- 0 0 68 -2,-1.3 2,-0.1 0, 0.0 3,-0.1 -0.853 71.9-104.1-172.3 134.2 -20.0 -9.2 3.2 113 52 B P - 0 0 117 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.373 46.6-103.2 -64.7 136.1 -23.4 -11.1 3.2 114 53 B S + 0 0 124 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.271 67.7 125.7 -59.5 142.5 -24.0 -13.5 0.3 115 54 B T S S- 0 0 125 -3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.262 87.7 -37.0-164.9 -41.3 -26.3 -12.2 -2.4 116 55 B S - 0 0 84 2,-0.0 3,-0.1 0, 0.0 -2,-0.1 0.236 51.5-158.3-162.9 -49.5 -24.5 -12.3 -5.8 117 56 B A - 0 0 94 1,-0.2 2,-0.1 2,-0.0 3,-0.1 0.897 25.0-163.4 54.5 43.9 -20.8 -11.5 -5.6 118 57 B I - 0 0 143 1,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.353 22.5-108.0 -61.3 133.0 -20.8 -10.6 -9.3 119 58 B S - 0 0 110 -3,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.383 39.4-101.3 -64.4 136.2 -17.3 -10.5 -10.7 120 59 B E 0 0 91 1,-0.1 -1,-0.1 -2,-0.1 -91,-0.0 -0.330 360.0 360.0 -60.3 134.8 -16.0 -6.9 -11.5 121 60 B D 0 0 218 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 -0.468 360.0 360.0 -61.7 360.0 -16.2 -6.1 -15.2