==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-AUG-07 2JU1 . COMPND 2 MOLECULE: ERYTHRONOLIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR V.Y.ALEKSEYEV,C.W.LIU,J.D.PUGLISI,C.KHOSLA . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 73.7 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 . 1 1.1 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 2 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 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 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.7 -3.9 22.4 19.8 2 2 A S > + 0 0 91 0, 0.0 3,-2.6 0, 0.0 4,-0.1 0.309 360.0 62.8-153.8 -52.1 -6.3 19.5 19.6 3 3 A H T > S+ 0 0 194 1,-0.3 3,-0.7 2,-0.1 4,-0.4 0.699 90.5 77.0 -59.0 -18.5 -9.2 20.3 17.4 4 4 A M T 3> + 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.542 64.3 101.8 -69.2 -6.2 -6.6 20.5 14.7 5 5 A L H X> S+ 0 0 106 -3,-2.6 4,-2.2 1,-0.2 3,-0.7 0.918 81.3 45.8 -40.4 -63.5 -6.5 16.7 14.8 6 6 A R H <> S+ 0 0 197 -3,-0.7 4,-2.6 1,-0.3 3,-0.4 0.927 107.6 56.7 -46.0 -57.4 -8.6 16.6 11.6 7 7 A D H 34 S+ 0 0 130 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.861 109.9 47.1 -42.7 -43.1 -6.5 19.2 9.9 8 8 A R H XX S+ 0 0 151 -4,-2.5 4,-1.4 -3,-0.7 3,-1.1 0.885 108.7 54.8 -67.4 -40.5 -3.6 16.8 10.6 9 9 A L H >< S+ 0 0 83 -4,-2.2 3,-0.6 -3,-0.4 -2,-0.2 0.965 121.2 28.9 -56.5 -57.1 -5.6 13.9 9.3 10 10 A A T 3< S+ 0 0 94 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.115 118.4 64.7 -90.3 20.1 -6.2 15.6 6.0 11 11 A G T <4 S+ 0 0 52 -3,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.528 78.0 99.9-114.7 -16.2 -3.0 17.4 6.4 12 12 A L S << S- 0 0 52 -4,-1.4 2,-0.0 -3,-0.6 -3,-0.0 -0.332 79.7-101.6 -71.5 155.5 -0.6 14.4 6.3 13 13 A P > - 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.286 30.3-106.7 -75.0 162.9 1.3 13.6 3.1 14 14 A R H > S+ 0 0 173 2,-0.2 4,-4.0 3,-0.2 5,-0.3 0.931 118.1 52.6 -53.0 -51.8 0.3 10.9 0.7 15 15 A A H > S+ 0 0 71 2,-0.2 4,-3.6 1,-0.2 5,-0.5 0.962 111.9 41.4 -47.1 -76.9 3.2 8.7 1.9 16 16 A E H > S+ 0 0 90 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.837 116.8 53.7 -39.7 -42.4 2.5 8.9 5.6 17 17 A R H X S+ 0 0 56 -4,-2.6 4,-4.0 2,-0.2 5,-0.3 0.960 113.4 39.4 -59.2 -55.3 -1.2 8.5 4.6 18 18 A T H X S+ 0 0 44 -4,-4.0 4,-2.8 -3,-0.3 -2,-0.2 0.920 117.6 48.9 -60.7 -46.7 -0.6 5.4 2.5 19 19 A A H X S+ 0 0 40 -4,-3.6 4,-1.0 -5,-0.3 -1,-0.3 0.688 117.2 46.4 -66.3 -18.0 1.9 4.0 5.1 20 20 A E H X S+ 0 0 87 -4,-1.1 4,-2.0 -5,-0.5 -2,-0.2 0.924 113.8 41.9 -87.3 -56.7 -0.7 4.8 7.6 21 21 A L H X S+ 0 0 18 -4,-4.0 4,-4.4 1,-0.2 5,-0.2 0.877 113.3 57.8 -57.9 -39.4 -3.8 3.4 6.0 22 22 A V H X S+ 0 0 16 -4,-2.8 4,-3.8 -5,-0.3 -1,-0.2 0.973 104.3 48.2 -54.2 -62.2 -1.7 0.4 5.0 23 23 A R H X S+ 0 0 159 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.865 117.4 44.4 -45.9 -43.0 -0.7 -0.4 8.6 24 24 A L H X S+ 0 0 61 -4,-2.0 4,-4.3 2,-0.2 5,-0.3 0.943 111.7 51.2 -68.0 -49.9 -4.4 -0.1 9.5 25 25 A V H X S+ 0 0 0 -4,-4.4 4,-4.3 2,-0.2 -2,-0.2 0.906 111.4 50.3 -52.9 -45.7 -5.5 -2.1 6.4 26 26 A R H X S+ 0 0 62 -4,-3.8 4,-2.7 2,-0.2 5,-0.3 0.982 117.0 36.8 -56.2 -65.1 -3.1 -4.8 7.4 27 27 A T H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 120.9 49.3 -54.4 -46.0 -4.2 -5.1 11.0 28 28 A S H X S+ 0 0 4 -4,-4.3 4,-2.1 2,-0.2 -2,-0.2 0.949 109.6 51.2 -58.7 -52.5 -7.8 -4.5 10.0 29 29 A T H >X S+ 0 0 1 -4,-4.3 4,-0.8 -5,-0.3 3,-0.7 0.941 113.6 43.2 -49.2 -57.4 -7.6 -7.1 7.3 30 30 A A H 3<>S+ 0 0 7 -4,-2.7 5,-0.9 1,-0.3 3,-0.5 0.802 109.9 60.7 -59.6 -29.4 -6.2 -9.7 9.7 31 31 A T H ><5S+ 0 0 45 -4,-1.9 3,-2.0 -5,-0.3 -1,-0.3 0.863 93.5 62.0 -65.6 -37.6 -8.8 -8.4 12.1 32 32 A V H <<5S+ 0 0 20 -4,-2.1 -1,-0.2 -3,-0.7 -2,-0.2 0.812 99.4 56.3 -57.4 -30.8 -11.6 -9.4 9.7 33 33 A L T 3<5S- 0 0 79 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.643 125.7-108.3 -74.9 -15.4 -10.3 -12.9 10.1 34 34 A G T < 5S+ 0 0 55 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.868 84.7 100.2 88.3 44.2 -10.9 -12.4 13.8 35 35 A H < - 0 0 138 -5,-0.9 2,-1.0 -8,-0.2 -1,-0.3 -0.953 65.7-139.1-160.2 138.7 -7.3 -12.2 14.9 36 36 A D + 0 0 142 -2,-0.3 -5,-0.1 -3,-0.1 3,-0.1 -0.560 61.3 122.8 -99.1 66.7 -4.8 -9.5 15.8 37 37 A D > + 0 0 63 -2,-1.0 3,-1.2 -10,-0.2 -2,-0.0 -0.889 32.5 177.0-133.0 101.0 -1.8 -10.9 14.1 38 38 A P G > S+ 0 0 63 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.630 75.2 81.6 -75.0 -14.5 -0.2 -8.7 11.4 39 39 A K G 3 S+ 0 0 196 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.632 83.0 64.8 -64.3 -12.5 2.5 -11.4 11.0 40 40 A A G < S+ 0 0 53 -3,-1.2 -1,-0.3 -14,-0.0 2,-0.3 -0.029 105.6 48.9 -99.2 28.0 -0.2 -13.0 8.8 41 41 A V < - 0 0 7 -3,-1.5 -15,-0.0 1,-0.0 -14,-0.0 -0.963 46.3-178.5-163.7 148.2 0.1 -10.2 6.4 42 42 A R - 0 0 211 -2,-0.3 2,-2.4 -16,-0.0 -3,-0.1 0.041 55.4-109.2-138.1 23.1 2.8 -8.2 4.5 43 43 A A S S+ 0 0 9 1,-0.2 41,-2.4 -21,-0.1 40,-1.4 -0.304 118.6 63.0 78.5 -54.5 0.6 -5.7 2.7 44 44 A T S S+ 0 0 90 -2,-2.4 -1,-0.2 38,-0.2 38,-0.1 -0.181 82.0 127.7 -93.3 39.7 1.4 -7.5 -0.6 45 45 A T S S- 0 0 28 -2,-0.1 2,-0.7 1,-0.1 38,-0.2 -0.584 72.4 -92.5 -96.0 159.5 -0.3 -10.6 0.7 46 46 A P > - 0 0 59 0, 0.0 4,-2.2 0, 0.0 36,-0.2 -0.614 31.1-164.6 -75.0 109.9 -3.0 -12.7 -1.1 47 47 A F H >>S+ 0 0 31 34,-2.1 4,-1.4 -2,-0.7 5,-1.0 0.907 89.7 57.3 -58.9 -45.3 -6.3 -11.3 0.1 48 48 A K H 45S+ 0 0 140 33,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.881 109.5 46.4 -52.9 -41.4 -8.1 -14.4 -1.3 49 49 A E H 45S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.883 100.4 65.9 -68.5 -40.3 -5.8 -16.5 0.9 50 50 A L H <5S- 0 0 29 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.834 125.2-101.1 -49.6 -35.1 -6.4 -14.2 3.9 51 51 A G T <5 + 0 0 33 -4,-1.4 2,-0.4 -3,-0.3 -3,-0.2 0.736 68.9 151.1 112.4 45.2 -10.0 -15.5 3.7 52 52 A F < + 0 0 1 -5,-1.0 -1,-0.2 -4,-0.2 -2,-0.0 -0.905 9.7 121.2-111.2 134.9 -11.9 -12.7 2.0 53 53 A D S S- 0 0 108 -2,-0.4 -1,-0.1 0, 0.0 24,-0.1 0.236 84.0 -41.4-147.2 -78.0 -15.0 -13.2 -0.1 54 54 A S S > S+ 0 0 83 3,-0.1 4,-2.2 4,-0.0 5,-0.2 0.563 132.8 35.8-129.4 -63.9 -18.2 -11.5 1.0 55 55 A L H > S+ 0 0 152 2,-0.2 4,-3.6 1,-0.2 3,-0.2 0.961 130.1 35.7 -61.1 -54.3 -18.7 -11.6 4.7 56 56 A A H > S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.726 117.7 55.7 -71.0 -22.1 -15.0 -11.2 5.5 57 57 A A H > S+ 0 0 9 2,-0.2 4,-1.1 1,-0.1 -2,-0.2 0.775 115.4 37.0 -79.1 -28.6 -14.8 -9.0 2.4 58 58 A V H X S+ 0 0 52 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.852 107.9 63.0 -88.5 -42.2 -17.5 -6.7 3.9 59 59 A R H X S+ 0 0 175 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.851 110.1 42.7 -50.0 -38.4 -16.4 -7.0 7.5 60 60 A L H X S+ 0 0 0 -4,-1.0 4,-4.2 2,-0.2 5,-0.3 0.938 112.7 50.5 -73.8 -50.0 -13.2 -5.4 6.4 61 61 A R H X S+ 0 0 32 -4,-1.1 4,-0.7 1,-0.3 -2,-0.2 0.822 108.0 56.3 -56.6 -32.9 -14.9 -2.8 4.2 62 62 A N H < S+ 0 0 68 -4,-3.4 4,-0.3 2,-0.2 -1,-0.3 0.907 114.6 37.0 -65.6 -43.4 -17.1 -2.0 7.2 63 63 A L H >< S+ 0 0 85 -4,-1.3 3,-2.4 -3,-0.3 -2,-0.2 0.894 110.3 60.3 -74.7 -42.7 -14.1 -1.3 9.3 64 64 A L H >< S+ 0 0 0 -4,-4.2 3,-2.0 1,-0.3 5,-0.3 0.693 89.3 76.9 -57.7 -17.8 -12.2 0.3 6.5 65 65 A N G >X S+ 0 0 52 -4,-0.7 4,-1.8 1,-0.3 3,-0.8 0.849 93.2 48.5 -60.9 -35.3 -15.2 2.7 6.5 66 66 A A G <4 S+ 0 0 96 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.222 109.5 55.6 -88.4 13.3 -13.6 4.3 9.6 67 67 A A G <4 S+ 0 0 15 -3,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.306 127.2 12.5-122.8 0.5 -10.4 4.4 7.7 68 68 A T T <4 S- 0 0 21 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.2 0.470 93.4-118.5-140.6 -50.5 -11.7 6.3 4.7 69 69 A G S < S+ 0 0 61 -4,-1.8 2,-0.1 1,-0.6 -4,-0.1 0.078 85.2 75.7 122.4 -19.6 -15.1 7.7 5.4 70 70 A L S S- 0 0 52 -6,-0.2 -1,-0.6 3,-0.0 -2,-0.2 -0.338 90.3-106.4-107.7-169.6 -17.0 5.9 2.8 71 71 A R - 0 0 168 -2,-0.1 -6,-0.1 -3,-0.1 -7,-0.1 0.310 55.3-134.5-101.7 4.7 -18.2 2.3 2.4 72 72 A L - 0 0 12 -8,-0.1 2,-0.2 -7,-0.1 -1,-0.1 0.358 36.0 -60.1 55.7 159.8 -15.6 1.5 -0.2 73 73 A P > - 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.477 37.6-130.0 -74.9 143.1 -16.4 -0.4 -3.4 74 74 A S T 3 S+ 0 0 94 1,-0.3 3,-0.4 -2,-0.2 -13,-0.1 0.700 113.8 55.0 -63.2 -19.0 -17.8 -3.8 -3.1 75 75 A T T >>>S+ 0 0 75 1,-0.2 4,-3.0 3,-0.1 3,-2.3 0.506 78.7 95.4 -90.4 -7.4 -15.1 -4.8 -5.6 76 76 A L H <>5S+ 0 0 2 -3,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.885 87.3 47.7 -48.4 -44.2 -12.5 -3.3 -3.3 77 77 A V H 345S+ 0 0 2 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 -0.128 118.6 43.6 -90.3 36.6 -12.0 -6.9 -2.0 78 78 A F H <45S+ 0 0 155 -3,-2.3 -2,-0.2 -21,-0.0 -1,-0.2 0.462 112.9 41.8-143.0 -43.9 -11.9 -8.1 -5.6 79 79 A D H <5S+ 0 0 122 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.1 0.631 101.1 83.6 -85.6 -16.7 -9.7 -5.8 -7.6 80 80 A H << - 0 0 1 -4,-1.0 -33,-0.1 -5,-0.5 3,-0.1 -0.817 54.9-176.6 -93.9 111.8 -7.2 -5.6 -4.8 81 81 A P S S+ 0 0 68 0, 0.0 -34,-2.1 0, 0.0 -33,-0.3 0.788 73.6 3.5 -74.9 -29.6 -4.8 -8.5 -4.9 82 82 A N S >> S- 0 0 34 -36,-0.2 4,-1.5 -35,-0.1 3,-1.1 -0.892 82.3 -96.6-146.9 173.7 -3.2 -7.4 -1.7 83 83 A A H 3> S+ 0 0 1 -40,-1.4 4,-2.6 -2,-0.3 5,-0.3 0.931 116.3 69.7 -60.0 -48.0 -3.5 -4.7 1.0 84 84 A S H 3> S+ 0 0 65 -41,-2.4 4,-0.6 1,-0.3 -1,-0.3 0.781 104.4 45.8 -39.7 -32.0 -0.8 -2.6 -0.7 85 85 A A H X> S+ 0 0 32 -3,-1.1 4,-2.0 -42,-0.4 3,-1.3 0.930 105.4 56.9 -78.2 -50.1 -3.6 -2.2 -3.3 86 86 A V H 3X S+ 0 0 1 -4,-1.5 4,-3.0 1,-0.3 5,-0.3 0.897 100.6 59.9 -46.3 -47.7 -6.3 -1.5 -0.8 87 87 A A H 3X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.871 109.8 44.4 -48.8 -41.2 -4.2 1.4 0.5 88 88 A G H X S+ 0 0 16 -4,-2.1 4,-2.5 -5,-0.3 3,-0.6 0.934 109.1 50.7 -59.4 -48.7 -6.3 6.7 -1.1 92 92 A A H 3< S+ 0 0 72 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 111.5 49.7 -58.2 -32.3 -7.9 7.4 -4.5 93 93 A E H 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.736 112.3 46.9 -77.6 -24.5 -11.2 7.5 -2.6 94 94 A L H << 0 0 65 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.725 360.0 360.0 -86.6 -25.7 -9.6 9.9 -0.1 95 95 A G < 0 0 83 -4,-2.5 0, 0.0 -5,-0.2 0, 0.0 -0.495 360.0 360.0 -94.3 360.0 -8.2 12.0 -2.9