==== 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 1PZR . 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) . 9382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 70.8 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 . 0 0.0 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 . 72 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 61 A A 0 0 121 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.4 8.8 -9.4 12.2 2 62 A S > - 0 0 81 1,-0.1 4,-0.6 2,-0.0 3,-0.3 -0.277 360.0-134.1 -60.7 145.4 10.3 -10.6 9.0 3 63 A D H >> S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 3,-1.0 0.838 102.2 64.9 -70.7 -34.4 9.5 -8.3 6.0 4 64 A D H 3> S+ 0 0 98 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.845 91.5 64.0 -57.7 -35.6 8.6 -11.3 3.8 5 65 A E H 3> S+ 0 0 133 -3,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.878 110.6 38.4 -56.5 -36.6 5.6 -11.9 6.1 6 66 A L H S- 0 0 146 -3,-0.0 4,-0.8 1,-0.0 -3,-0.1 -0.679 80.1 -57.8-153.7-153.0 19.4 -6.1 -0.9 29 89 A T H > S+ 0 0 54 -2,-0.2 4,-2.6 2,-0.2 3,-0.4 0.919 124.7 58.9 -71.2 -45.5 16.5 -4.7 1.1 30 90 A E H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 95.6 63.2 -47.5 -56.4 15.8 -1.9 -1.4 31 91 A E H > S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.866 111.5 36.7 -37.7 -54.0 15.2 -4.4 -4.3 32 92 A K H >X S+ 0 0 36 -4,-0.8 4,-2.2 -3,-0.4 3,-0.9 0.965 117.1 52.2 -65.3 -51.8 12.2 -5.9 -2.5 33 93 A L H 3X>S+ 0 0 9 -4,-2.6 4,-0.8 1,-0.2 5,-0.6 0.665 100.5 67.0 -58.1 -18.2 11.2 -2.5 -1.2 34 94 A R H 3X5S+ 0 0 105 -4,-2.3 4,-0.7 -3,-0.3 -1,-0.2 0.919 113.7 24.8 -71.2 -45.1 11.3 -1.3 -4.8 35 95 A R H X S+ 0 0 137 -4,-2.2 4,-3.3 2,-0.2 3,-0.5 0.973 109.3 51.8 -75.0 -59.8 3.2 -1.1 -5.7 40 100 A T H 3X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.748 105.3 61.6 -51.3 -25.5 1.4 -1.1 -2.3 41 101 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.963 114.0 30.8 -66.4 -52.4 1.3 2.6 -2.6 42 102 A T H X S+ 0 0 155 -4,-2.2 4,-2.7 2,-0.2 3,-1.4 0.762 104.9 72.3 -88.8 -28.8 -12.5 2.8 -5.0 51 111 A L H 3X S+ 0 0 25 -4,-2.9 4,-2.2 -5,-0.3 5,-0.2 0.838 90.1 61.5 -53.6 -37.8 -13.6 2.3 -1.4 52 112 A R H 3< S+ 0 0 157 -4,-0.8 4,-0.4 1,-0.2 -1,-0.3 0.810 114.0 34.6 -60.6 -31.9 -14.9 5.8 -1.4 53 113 A E H <>>S+ 0 0 115 -3,-1.4 4,-2.6 -4,-0.2 5,-0.6 0.755 109.4 65.1 -91.9 -32.0 -17.4 4.8 -4.1 54 114 A V H X5S+ 0 0 27 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.912 100.0 51.6 -57.7 -45.1 -17.9 1.3 -2.9 55 115 A E H <5S+ 0 0 91 -4,-2.2 65,-0.9 -5,-0.2 -1,-0.2 0.893 117.4 42.3 -56.5 -42.0 -19.5 2.5 0.3 56 116 A H H 45S+ 0 0 134 -4,-0.4 64,-0.4 -5,-0.2 -2,-0.2 0.998 128.9 20.8 -67.9 -77.1 -21.8 4.6 -1.9 57 117 A R H <5S+ 0 0 180 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.931 84.8 159.7 -63.6 -49.2 -22.8 2.4 -4.8 58 118 A A << - 0 0 34 -4,-1.0 2,-0.2 -5,-0.6 59,-0.1 -0.313 39.2 -99.6 60.5-139.1 -22.0 -0.9 -3.1 59 119 A G 0 0 48 57,-0.9 -1,-0.1 58,-0.2 -2,-0.0 -0.802 360.0 360.0 178.5 137.9 -23.8 -3.9 -4.7 60 120 A E 0 0 267 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.792 360.0 360.0 -60.2 360.0 -26.8 -6.2 -4.3 61 !* 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 62 61 B A 0 0 109 0, 0.0 5,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 136.4 9.2 7.7 -12.6 63 62 B S >> - 0 0 85 1,-0.1 4,-0.9 2,-0.1 3,-0.8 -0.329 360.0-137.3 -60.0 134.7 10.5 9.4 -9.5 64 63 B D H 3> S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.861 102.6 65.1 -60.9 -36.8 9.8 7.4 -6.3 65 64 B D H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 93.6 61.7 -55.1 -35.5 8.8 10.6 -4.6 66 65 B E H <> S+ 0 0 127 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.933 109.1 39.7 -57.8 -48.2 5.9 10.9 -7.0 67 66 B L H >X S+ 0 0 16 -4,-0.9 4,-0.8 -3,-0.4 3,-0.7 0.919 115.7 51.5 -66.9 -44.7 4.3 7.7 -5.7 68 67 B F H >X S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.804 98.9 67.1 -62.3 -30.4 5.3 8.5 -2.1 69 68 B S H 3X S+ 0 0 68 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.900 93.6 57.8 -57.8 -41.6 3.6 11.9 -2.5 70 69 B M H S- 0 0 150 -3,-0.0 4,-0.8 1,-0.0 5,-0.1 -0.634 80.4 -58.2-153.1-149.5 19.4 6.2 1.5 90 89 B T H > S+ 0 0 44 -2,-0.2 4,-2.5 2,-0.2 3,-0.4 0.906 126.2 55.6 -76.2 -44.2 16.6 4.5 -0.5 91 90 B E H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 97.1 64.3 -54.3 -48.8 15.8 2.0 2.3 92 91 B E H > S+ 0 0 71 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.890 112.3 35.2 -41.9 -51.2 15.2 4.8 4.8 93 92 B K H X S+ 0 0 35 -4,-0.8 4,-2.0 -3,-0.4 5,-0.4 0.899 116.4 54.6 -71.7 -41.2 12.3 6.1 2.8 94 93 B L H X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 5,-0.4 0.647 101.2 64.6 -66.5 -15.4 11.3 2.5 1.8 95 94 B R H X S+ 0 0 132 -4,-2.2 4,-1.4 -3,-0.3 -1,-0.2 0.960 112.4 26.7 -73.3 -54.7 11.1 1.7 5.5 96 95 B R H X S+ 0 0 149 -4,-1.1 4,-2.0 -5,-0.2 5,-0.2 0.927 124.9 47.3 -75.5 -49.0 8.3 3.9 6.6 97 96 B Y H X S+ 0 0 36 -4,-2.0 4,-2.6 2,-0.2 -3,-0.2 0.913 118.8 40.1 -61.3 -45.3 6.4 4.2 3.3 98 97 B L H X S+ 0 0 4 -4,-0.7 4,-2.5 -5,-0.4 5,-0.3 0.961 115.1 49.0 -70.1 -52.3 6.5 0.4 2.6 99 98 B K H X S+ 0 0 148 -4,-1.4 4,-0.7 -5,-0.4 -1,-0.2 0.865 119.6 41.9 -54.5 -36.0 5.8 -0.8 6.1 100 99 B R H X S+ 0 0 126 -4,-2.0 4,-3.2 -5,-0.2 5,-0.3 0.877 109.9 57.2 -77.8 -42.0 2.9 1.7 6.2 101 100 B T H X S+ 0 0 0 -4,-2.6 4,-4.0 1,-0.2 5,-0.3 0.918 103.7 50.9 -57.2 -49.8 1.7 0.9 2.6 102 101 B V H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.871 115.3 44.9 -59.0 -34.7 1.2 -2.8 3.2 103 102 B T H X S+ 0 0 72 -4,-0.7 4,-2.2 -5,-0.3 -2,-0.2 0.930 117.2 42.9 -73.1 -46.0 -0.8 -1.9 6.3 104 103 B E H X S+ 0 0 43 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.905 116.2 49.9 -63.6 -41.4 -2.8 0.9 4.6 105 104 B L H X S+ 0 0 4 -4,-4.0 4,-1.4 -5,-0.3 -1,-0.2 0.867 113.8 44.9 -63.6 -39.2 -3.2 -1.4 1.6 106 105 B D H X S+ 0 0 65 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.785 112.4 54.2 -75.3 -29.6 -4.4 -4.2 3.9 107 106 B S H X S+ 0 0 46 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.971 108.0 45.4 -69.3 -56.6 -6.6 -1.7 5.7 108 107 B V H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.916 117.9 44.6 -53.4 -48.0 -8.5 -0.4 2.7 109 108 B T H X S+ 0 0 26 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.859 110.4 56.0 -65.6 -36.5 -9.0 -3.9 1.4 110 109 B A H < S+ 0 0 31 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.909 118.3 31.9 -62.3 -44.6 -10.0 -5.2 4.9 111 110 B R H >X S+ 0 0 147 -4,-2.5 4,-3.1 1,-0.2 3,-0.7 0.773 107.6 71.6 -83.5 -29.5 -12.8 -2.6 5.2 112 111 B L H 3X S+ 0 0 33 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.871 91.1 59.0 -54.4 -40.8 -13.6 -2.6 1.5 113 112 B R H 3X S+ 0 0 160 -4,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.876 115.3 35.6 -57.1 -38.7 -15.1 -6.1 1.7 114 113 B E H <>>S+ 0 0 110 -3,-0.7 4,-2.6 -4,-0.4 5,-0.7 0.850 107.6 66.4 -82.7 -38.5 -17.6 -4.8 4.3 115 114 B V H X5S+ 0 0 25 -4,-3.1 4,-1.1 1,-0.3 -2,-0.2 0.877 103.3 47.1 -50.8 -43.2 -18.0 -1.3 2.7 116 115 B E H <5S+ 0 0 102 -4,-1.9 -57,-0.9 -5,-0.2 -1,-0.3 0.870 117.0 44.8 -67.8 -36.9 -19.6 -2.9 -0.4 117 116 B H H <5S+ 0 0 156 -4,-0.7 -2,-0.2 -5,-0.2 -58,-0.2 0.995 128.4 22.2 -69.9 -67.8 -21.9 -5.0 1.8 118 117 B R H <5S+ 0 0 175 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.926 88.2 163.5 -67.6 -46.7 -23.1 -2.5 4.5 119 118 B A << - 0 0 36 -4,-1.1 2,-0.2 -5,-0.7 -63,-0.2 -0.316 35.3-102.7 62.6-142.2 -22.4 0.6 2.3 120 119 B G 0 0 41 -65,-0.9 -1,-0.1 -64,-0.4 -2,-0.0 -0.780 360.0 360.0 177.9 135.8 -24.1 3.8 3.4 121 120 B E 0 0 256 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.796 360.0 360.0 -60.5 360.0 -27.1 6.0 2.6