==== 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 2JU2 . 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) . 6535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 71.6 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 . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 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 75 0, 0.0 2,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 132.5 2.1 17.4 -13.8 2 2 A S - 0 0 71 2,-0.1 2,-3.3 3,-0.1 6,-0.1 -0.998 360.0 -17.4-142.9 135.7 2.3 20.4 -16.2 3 3 A H S S+ 0 0 184 -2,-0.4 3,-0.4 1,-0.2 2,-0.3 -0.362 134.2 56.6 71.7 -65.3 3.0 24.0 -15.5 4 4 A M S > S+ 0 0 104 -2,-3.3 4,-3.1 1,-0.2 -1,-0.2 -0.149 70.1 130.3 -88.4 38.8 2.2 23.6 -11.9 5 5 A L H > + 0 0 85 -2,-0.3 4,-4.1 2,-0.2 5,-0.2 0.974 68.8 52.0 -54.0 -62.6 4.8 20.9 -11.6 6 6 A R H > S+ 0 0 216 -3,-0.4 4,-3.7 1,-0.2 -1,-0.2 0.891 112.9 46.1 -39.0 -56.9 6.4 22.5 -8.5 7 7 A D H 4 S+ 0 0 92 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.959 114.8 46.4 -52.2 -58.9 3.0 22.6 -6.8 8 8 A R H >X S+ 0 0 140 -4,-3.1 4,-2.3 3,-0.2 3,-1.7 0.923 115.9 46.6 -49.3 -52.5 2.2 19.0 -7.8 9 9 A L H >< S+ 0 0 119 -4,-4.1 3,-0.7 1,-0.3 -2,-0.2 0.976 123.0 33.0 -54.1 -63.6 5.7 17.9 -6.7 10 10 A A T 3< S+ 0 0 95 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.079 122.4 55.1 -85.4 34.7 5.5 19.7 -3.4 11 11 A G T <4 S- 0 0 42 -3,-1.7 -2,-0.2 -6,-0.2 -1,-0.2 0.479 79.6-161.2-135.8 -24.3 1.8 19.0 -3.4 12 12 A L << - 0 0 83 -4,-2.3 -3,-0.1 -3,-0.7 -4,-0.1 0.851 21.8-150.8 30.6 86.2 1.5 15.3 -3.8 13 13 A P > - 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.111 34.1 -80.3 -75.0 177.1 -2.1 15.2 -4.9 14 14 A R H > S+ 0 0 144 1,-0.2 4,-4.4 2,-0.2 5,-0.3 0.890 130.0 59.3 -42.7 -51.1 -4.5 12.3 -4.3 15 15 A A H > S+ 0 0 74 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.938 109.9 39.3 -42.4 -70.3 -3.0 10.5 -7.3 16 16 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.862 117.1 53.9 -49.2 -40.6 0.5 10.4 -5.7 17 17 A R H X S+ 0 0 114 -4,-2.9 4,-4.0 2,-0.2 5,-0.3 0.954 110.5 43.9 -59.6 -53.6 -1.2 9.8 -2.4 18 18 A T H X S+ 0 0 47 -4,-4.4 4,-2.2 1,-0.3 -2,-0.2 0.915 118.6 43.9 -57.8 -46.3 -3.1 6.8 -3.7 19 19 A A H X S+ 0 0 57 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.3 0.762 117.0 50.1 -69.7 -25.6 -0.0 5.5 -5.5 20 20 A E H X S+ 0 0 85 -4,-2.1 4,-2.0 -5,-0.4 -2,-0.2 0.971 110.8 43.9 -75.4 -59.3 1.9 6.3 -2.4 21 21 A L H X S+ 0 0 5 -4,-4.0 4,-4.0 1,-0.2 -2,-0.2 0.893 111.1 59.3 -52.2 -43.4 -0.3 4.6 0.2 22 22 A V H X S+ 0 0 26 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.964 103.4 47.8 -48.7 -66.9 -0.5 1.7 -2.2 23 23 A R H X S+ 0 0 196 -4,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.855 115.7 47.8 -42.1 -43.9 3.2 1.1 -2.2 24 24 A L H X S+ 0 0 70 -4,-2.0 4,-4.4 2,-0.2 5,-0.3 0.960 108.7 52.4 -63.5 -53.6 3.0 1.3 1.5 25 25 A V H X S+ 0 0 0 -4,-4.0 4,-4.0 1,-0.2 5,-0.3 0.930 107.7 53.0 -46.4 -56.1 0.1 -1.1 1.8 26 26 A R H X S+ 0 0 59 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.933 118.9 33.9 -44.2 -62.4 2.0 -3.6 -0.3 27 27 A T H X S+ 0 0 49 -4,-2.0 4,-4.4 2,-0.2 5,-0.3 0.967 116.1 55.5 -59.4 -57.0 5.0 -3.5 2.0 28 28 A S H X S+ 0 0 4 -4,-4.4 4,-0.9 1,-0.2 -1,-0.2 0.879 113.7 43.3 -42.0 -49.0 3.0 -2.9 5.1 29 29 A T H >X S+ 0 0 4 -4,-4.0 3,-2.2 -5,-0.3 4,-1.2 0.982 114.6 46.4 -62.3 -61.0 1.0 -6.1 4.3 30 30 A A H 3X>S+ 0 0 7 -4,-2.9 4,-1.7 1,-0.3 5,-0.9 0.867 105.7 63.1 -49.1 -40.4 4.0 -8.2 3.3 31 31 A T H 3<5S+ 0 0 43 -4,-4.4 -1,-0.3 1,-0.2 -2,-0.2 0.818 97.9 57.9 -54.6 -32.7 5.7 -6.9 6.4 32 32 A V H <<5S+ 0 0 11 -3,-2.2 -1,-0.2 -4,-0.9 -2,-0.2 0.977 100.2 52.9 -61.7 -58.5 2.9 -8.6 8.3 33 33 A L H <5S- 0 0 92 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.847 129.4 -98.9 -44.7 -39.3 3.7 -12.1 6.9 34 34 A G T <5S+ 0 0 45 -4,-1.7 2,-0.3 1,-0.4 -3,-0.2 0.712 86.6 97.5 116.9 49.6 7.2 -11.4 8.1 35 35 A H < - 0 0 131 -5,-0.9 -1,-0.4 -8,-0.2 2,-0.1 -0.970 57.2-146.9-161.6 147.5 9.2 -10.2 5.1 36 36 A D + 0 0 121 -2,-0.3 -9,-0.1 -5,-0.1 -5,-0.1 -0.441 63.6 112.3-114.9 55.1 10.3 -6.9 3.6 37 37 A D > + 0 0 84 -2,-0.1 3,-0.5 -10,-0.1 -1,-0.0 -0.852 29.3 168.4-132.4 95.8 10.2 -7.9 -0.1 38 38 A P G > S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.774 70.3 79.9 -75.0 -28.0 7.4 -6.2 -2.1 39 39 A K G 3 S+ 0 0 210 1,-0.3 2,-0.2 3,-0.0 -2,-0.0 0.851 93.4 51.0 -45.3 -39.7 8.9 -7.5 -5.3 40 40 A A G < S+ 0 0 86 -3,-0.5 -1,-0.3 2,-0.0 2,-0.3 -0.206 106.4 74.5 -93.1 41.1 7.2 -10.7 -4.5 41 41 A V < - 0 0 16 -3,-2.1 2,-0.2 -2,-0.2 -14,-0.1 -0.980 61.1-160.5-154.4 140.6 3.9 -8.8 -4.0 42 42 A R > - 0 0 184 -2,-0.3 3,-0.5 -16,-0.1 41,-0.2 -0.630 29.1-121.9-115.7 174.8 1.4 -7.2 -6.2 43 43 A A T 3 S+ 0 0 24 -2,-0.2 41,-4.0 1,-0.2 42,-0.4 0.725 113.6 52.0 -87.0 -25.9 -1.3 -4.6 -5.8 44 44 A T T 3 S+ 0 0 89 39,-0.2 -1,-0.2 38,-0.2 38,-0.0 -0.125 83.7 127.9-101.2 34.4 -4.0 -7.0 -7.0 45 45 A T < - 0 0 31 -3,-0.5 38,-0.8 3,-0.0 2,-0.4 -0.806 61.8-122.8 -97.0 131.3 -3.0 -9.6 -4.5 46 46 A P >> - 0 0 54 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.587 10.7-143.6 -75.0 123.7 -5.6 -11.2 -2.3 47 47 A F H 3> S+ 0 0 25 -2,-0.4 4,-2.1 33,-0.3 5,-0.5 0.900 98.4 65.4 -50.1 -47.8 -4.7 -10.8 1.4 48 48 A K H >> S+ 0 0 157 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.901 105.3 43.5 -40.1 -56.3 -6.1 -14.2 2.1 49 49 A E H <4 S+ 0 0 160 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.890 106.6 61.1 -58.2 -42.0 -3.4 -15.7 -0.0 50 50 A L H 3< S- 0 0 33 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.834 128.7 -98.3 -53.8 -34.2 -0.9 -13.4 1.6 51 51 A G H << S+ 0 0 31 -4,-2.1 2,-0.4 -3,-0.8 -3,-0.2 0.758 70.4 147.5 112.5 56.9 -1.8 -15.1 4.9 52 52 A F < + 0 0 2 -4,-0.5 -1,-0.2 -5,-0.5 -2,-0.0 -0.983 7.0 131.3-125.9 132.2 -4.4 -12.9 6.6 53 53 A D S S- 0 0 131 -2,-0.4 -1,-0.1 -6,-0.0 -5,-0.1 0.467 84.5 -44.9-137.6 -60.9 -7.2 -14.1 8.9 54 54 A S S > S+ 0 0 83 3,-0.0 4,-2.7 23,-0.0 5,-0.1 0.379 131.0 45.9-144.7 -61.5 -7.3 -12.2 12.1 55 55 A L H > S+ 0 0 160 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.973 124.8 35.0 -56.0 -60.2 -3.9 -11.8 13.7 56 56 A A H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 117.5 55.7 -63.0 -34.9 -2.2 -10.8 10.5 57 57 A A H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.829 109.0 48.3 -66.0 -32.8 -5.4 -9.0 9.6 58 58 A V H X S+ 0 0 75 -4,-2.7 4,-2.7 -3,-0.2 -2,-0.2 0.975 106.6 52.8 -70.4 -58.2 -5.1 -7.1 12.8 59 59 A R H X S+ 0 0 159 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.847 108.5 56.4 -44.8 -40.5 -1.5 -6.1 12.5 60 60 A L H X S+ 0 0 0 -4,-1.8 4,-4.3 2,-0.2 3,-0.4 0.989 106.6 43.3 -55.3 -76.3 -2.5 -4.7 9.1 61 61 A R H X S+ 0 0 63 -4,-1.6 4,-2.5 1,-0.3 11,-0.2 0.837 114.7 54.9 -37.0 -45.4 -5.2 -2.3 10.1 62 62 A N H X S+ 0 0 99 -4,-2.7 4,-0.9 2,-0.2 -1,-0.3 0.962 116.1 34.8 -54.9 -57.5 -2.9 -1.3 12.9 63 63 A L H >X S+ 0 0 68 -4,-3.1 3,-1.0 -3,-0.4 4,-0.7 0.917 113.0 60.5 -63.6 -45.0 -0.0 -0.5 10.5 64 64 A L H >X S+ 0 0 0 -4,-4.3 3,-1.9 1,-0.3 4,-1.2 0.855 95.1 65.1 -50.0 -38.2 -2.5 0.7 7.9 65 65 A N H >X S+ 0 0 43 -4,-2.5 3,-1.3 -5,-0.4 4,-0.6 0.916 95.4 55.1 -50.7 -48.6 -3.5 3.3 10.6 66 66 A A H << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.706 104.4 57.2 -58.3 -19.1 -0.1 4.8 10.3 67 67 A A H << S+ 0 0 8 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.779 130.3 7.7 -81.3 -29.7 -1.0 5.1 6.6 68 68 A T H << S- 0 0 27 -3,-1.3 -2,-0.2 -4,-1.2 -3,-0.2 0.727 84.8-132.4-112.6 -73.3 -4.0 7.1 7.4 69 69 A G S < S+ 0 0 61 -4,-0.6 2,-0.2 1,-0.5 -3,-0.1 0.331 70.7 95.8 127.2 1.2 -4.3 8.1 11.1 70 70 A L S S- 0 0 52 -5,-0.2 2,-1.8 0, 0.0 -1,-0.5 -0.498 92.6 -82.8-110.1-179.3 -7.9 7.1 11.8 71 71 A R - 0 0 238 -2,-0.2 3,-0.1 -3,-0.1 -9,-0.1 -0.527 55.7-159.7 -86.3 70.2 -9.5 4.1 13.2 72 72 A L - 0 0 3 -2,-1.8 2,-0.1 -11,-0.2 -7,-0.1 0.050 28.6 -86.2 -44.8 160.6 -9.5 2.1 10.0 73 73 A P - 0 0 30 0, 0.0 3,-0.4 0, 0.0 4,-0.3 -0.428 21.9-144.9 -75.0 148.8 -12.0 -0.8 9.8 74 74 A S S S+ 0 0 73 1,-0.2 3,-0.4 2,-0.1 -13,-0.1 0.648 102.1 57.4 -85.0 -18.0 -11.0 -4.2 11.1 75 75 A T S >> S+ 0 0 81 1,-0.2 4,-4.0 2,-0.1 3,-2.3 0.437 77.5 97.9 -90.0 -2.1 -12.9 -5.9 8.4 76 76 A L H 3> S+ 0 0 2 -3,-0.4 4,-4.0 1,-0.3 -1,-0.2 0.924 76.3 58.8 -49.4 -51.4 -10.8 -4.1 5.8 77 77 A V H 34 S+ 0 0 7 -3,-0.4 -1,-0.3 -4,-0.3 -29,-0.2 0.705 118.6 34.6 -52.3 -18.7 -8.7 -7.2 5.4 78 78 A F H <4 S+ 0 0 166 -3,-2.3 -2,-0.3 -31,-0.1 -1,-0.2 0.813 118.0 47.2-102.0 -46.7 -12.0 -8.7 4.5 79 79 A D H < S+ 0 0 98 -4,-4.0 -3,-0.2 1,-0.1 -2,-0.2 0.713 102.5 79.3 -68.3 -20.5 -13.7 -5.9 2.7 80 80 A H < - 0 0 3 -4,-4.0 -33,-0.3 -5,-0.4 3,-0.1 -0.826 57.3-178.1 -95.0 111.7 -10.5 -5.4 0.8 81 81 A P S S- 0 0 69 0, 0.0 -34,-0.3 0, 0.0 2,-0.3 0.830 72.7 -1.1 -74.9 -34.4 -10.1 -8.0 -2.0 82 82 A N S >> S- 0 0 48 -36,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.935 77.3-100.2-149.4 168.2 -6.7 -6.7 -3.0 83 83 A A H 3> S+ 0 0 7 -38,-0.8 4,-2.3 -2,-0.3 5,-0.2 0.958 117.6 63.9 -55.6 -55.7 -4.2 -4.0 -2.0 84 84 A S H 3> S+ 0 0 67 -41,-4.0 4,-1.1 1,-0.3 -1,-0.3 0.812 108.7 44.0 -36.6 -39.7 -5.2 -1.8 -4.9 85 85 A A H X> S+ 0 0 33 -3,-0.7 4,-1.8 -42,-0.4 3,-0.6 0.951 103.8 61.4 -72.5 -52.3 -8.5 -1.7 -3.1 86 86 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 5,-0.2 0.868 100.7 57.5 -39.7 -47.7 -7.0 -1.2 0.3 87 87 A A H 3X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -1,-0.3 0.940 107.2 47.1 -49.5 -55.5 -5.6 2.0 -1.1 88 88 A G H