==== 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 BIOSYNTHETIC PROTEIN 06-MAR-09 2KG8 . COMPND 2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.P.CRUMP,S.E.EVANS,C.WILLIAMS,P.ELIZA . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 66.3 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 . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 0 0 0 0 0 0 0 2 0 0 1 0 0 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 . 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 M 0 0 220 0, 0.0 2,-0.2 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 170.9 -20.0 -6.2 2.4 2 2 A A - 0 0 32 81,-0.1 2,-0.9 1,-0.1 81,-0.1 -0.496 360.0-103.7 -72.2 145.0 -17.9 -3.8 0.4 3 3 A T - 0 0 127 79,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.611 46.8-172.6 -76.6 106.0 -15.1 -5.4 -1.5 4 4 A L - 0 0 62 -2,-0.9 2,-0.2 1,-0.1 75,-0.1 -0.640 27.8-102.7 -97.1 156.7 -11.9 -4.6 0.5 5 5 A L - 0 0 10 -2,-0.2 2,-0.1 70,-0.2 -1,-0.1 -0.524 34.7-144.3 -76.4 144.1 -8.4 -5.3 -0.5 6 6 A T > - 0 0 73 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.357 31.5 -97.0 -94.7-175.0 -6.8 -8.2 1.2 7 7 A T H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.789 125.5 56.4 -77.3 -22.1 -3.2 -8.5 2.2 8 8 A D H > S+ 0 0 91 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.915 108.0 47.3 -70.8 -41.8 -2.6 -10.4 -1.0 9 9 A D H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.951 116.8 43.8 -61.3 -49.8 -3.9 -7.5 -3.1 10 10 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 113.2 51.3 -60.5 -49.1 -1.9 -5.0 -1.1 11 11 A R H X S+ 0 0 70 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.880 105.1 56.9 -59.1 -41.0 1.2 -7.2 -1.1 12 12 A R H X S+ 0 0 129 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.937 112.4 39.3 -59.4 -47.4 1.1 -7.7 -4.9 13 13 A A H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.914 117.7 52.7 -65.5 -40.4 1.2 -4.0 -5.6 14 14 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 3,-0.3 0.930 107.8 48.4 -58.9 -55.0 3.7 -3.6 -2.7 15 15 A V H X S+ 0 0 5 -4,-3.5 8,-2.9 1,-0.2 9,-1.1 0.893 109.2 53.1 -55.7 -47.6 6.2 -6.3 -4.0 16 16 A E H < S+ 0 0 77 -4,-1.6 6,-2.0 6,-0.3 3,-0.4 0.838 116.1 36.3 -65.8 -34.1 6.3 -5.0 -7.5 17 17 A S H < S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.674 98.4 85.2 -89.8 -16.8 7.1 -1.4 -6.6 18 18 A A H < S- 0 0 8 -4,-1.6 2,-0.2 6,-0.2 -1,-0.2 0.692 108.5 -21.9 -59.4 -23.3 9.4 -2.5 -3.8 19 19 A G S < S- 0 0 39 -4,-0.5 2,-2.0 -3,-0.4 3,-0.3 -0.609 116.3 -13.2-155.5-142.8 12.3 -2.9 -6.0 20 20 A E S S- 0 0 180 1,-0.2 -3,-0.1 -2,-0.2 -2,-0.1 -0.532 121.4 -49.8 -80.2 75.7 13.3 -3.5 -9.6 21 21 A T S S+ 0 0 124 -2,-2.0 -1,-0.2 -5,-0.4 -4,-0.2 0.973 142.2 9.3 51.4 79.4 9.8 -4.4 -10.9 22 22 A D S S+ 0 0 78 -6,-2.0 -6,-0.3 -7,-0.3 -2,-0.2 0.877 87.1 149.0 79.9 89.8 8.9 -7.0 -8.2 23 23 A G + 0 0 44 -8,-2.9 2,-0.5 1,-0.3 -7,-0.1 0.704 53.7 38.7-123.5 -35.5 11.7 -6.6 -5.7 24 24 A T - 0 0 44 -9,-1.1 -1,-0.3 -10,-0.2 -6,-0.2 -0.971 59.0-160.6-130.5 111.7 10.6 -7.4 -2.2 25 25 A D - 0 0 102 -2,-0.5 -10,-0.2 -3,-0.1 3,-0.1 0.790 10.9-159.9 -62.6 -36.0 8.3 -10.3 -1.6 26 26 A L + 0 0 14 1,-0.2 2,-1.2 -11,-0.1 4,-0.4 0.744 23.7 168.0 57.0 28.6 7.0 -9.3 1.9 27 27 A S + 0 0 75 2,-0.1 2,-0.3 3,-0.1 -1,-0.2 -0.607 52.2 37.3 -77.0 97.6 5.9 -12.9 2.5 28 28 A G S S- 0 0 54 -2,-1.2 2,-1.7 -3,-0.1 3,-0.2 -0.974 121.8 -22.2 158.2-149.6 5.2 -12.7 6.2 29 29 A D > + 0 0 134 -2,-0.3 3,-0.5 1,-0.2 4,-0.2 -0.614 67.5 158.1 -91.4 79.3 3.7 -10.1 8.5 30 30 A F G > + 0 0 7 -2,-1.7 3,-0.5 -4,-0.4 -1,-0.2 0.691 63.6 67.5 -78.7 -17.6 4.4 -7.2 6.3 31 31 A L G 3 S+ 0 0 33 1,-0.2 41,-0.8 -3,-0.2 -1,-0.2 0.814 102.2 48.0 -70.9 -28.0 1.8 -5.0 7.9 32 32 A D G < S+ 0 0 106 -3,-0.5 2,-0.6 39,-0.1 -1,-0.2 0.503 97.5 85.3 -91.0 -6.8 3.9 -5.0 11.1 33 33 A L S < S- 0 0 75 -3,-0.5 2,-0.1 -4,-0.2 5,-0.1 -0.865 79.8-134.2 -98.7 121.4 7.0 -4.2 9.1 34 34 A R > - 0 0 96 -2,-0.6 4,-0.7 36,-0.2 3,-0.5 -0.401 18.3-116.4 -74.7 154.3 7.3 -0.5 8.5 35 35 A F T >4>S+ 0 0 4 34,-3.0 5,-2.2 1,-0.2 3,-0.8 0.857 116.1 56.3 -59.8 -35.6 8.3 0.8 5.1 36 36 A E G >45S+ 0 0 117 33,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.898 107.2 49.9 -63.2 -36.1 11.5 2.2 6.4 37 37 A D G 345S+ 0 0 107 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.583 108.2 53.4 -81.6 -10.8 12.4 -1.3 7.7 38 38 A I G <<5S- 0 0 20 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.134 119.1-104.7-110.5 23.1 11.6 -3.0 4.3 39 39 A G T < 5 + 0 0 61 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.938 67.6 159.3 56.1 48.8 13.9 -0.7 2.3 40 40 A Y < - 0 0 11 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.883 31.1-156.8-108.9 133.8 10.9 1.2 0.9 41 41 A D > - 0 0 78 -2,-0.5 4,-1.7 -3,-0.1 3,-0.3 -0.806 26.3-124.1 -99.8 148.4 11.0 4.6 -0.5 42 42 A S H > S+ 0 0 64 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.702 109.5 65.0 -70.1 -15.8 7.9 6.6 -0.5 43 43 A L H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 105.7 44.3 -67.5 -46.3 8.1 7.1 -4.3 44 44 A A H > S+ 0 0 5 -3,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.875 111.8 55.0 -60.5 -37.5 7.6 3.3 -4.6 45 45 A L H X S+ 0 0 5 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.917 108.3 46.8 -62.7 -44.9 4.9 3.7 -2.0 46 46 A M H X S+ 0 0 53 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.924 112.1 50.9 -60.5 -46.4 3.1 6.3 -4.1 47 47 A E H X S+ 0 0 95 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.926 113.1 45.9 -59.8 -46.8 3.5 4.1 -7.2 48 48 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 3,-0.5 0.965 115.4 45.8 -57.1 -57.0 2.0 1.2 -5.2 49 49 A A H X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.915 109.6 53.7 -56.7 -47.4 -0.9 3.3 -3.8 50 50 A A H X S+ 0 0 43 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.810 105.7 54.7 -60.7 -32.4 -1.8 5.0 -7.1 51 51 A R H X S+ 0 0 47 -4,-1.4 4,-1.7 -3,-0.5 -1,-0.2 0.947 113.4 40.2 -67.0 -47.0 -2.1 1.6 -8.8 52 52 A L H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-0.5 0.908 115.5 53.6 -67.9 -41.9 -4.6 0.4 -6.2 53 53 A E H X>S+ 0 0 32 -4,-3.1 4,-2.1 1,-0.2 5,-1.7 0.932 113.7 40.0 -55.5 -53.8 -6.3 3.8 -6.1 54 54 A S H <5S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 117.5 50.3 -72.0 -27.0 -6.9 3.9 -9.9 55 55 A R H <5S+ 0 0 154 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 124.4 22.9 -81.2 -39.8 -7.8 0.2 -10.1 56 56 A Y H <5S- 0 0 90 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.699 110.7-102.7-105.3 -21.1 -10.4 0.1 -7.3 57 57 A G T <5 + 0 0 53 -4,-2.1 2,-0.2 -5,-0.5 -3,-0.2 0.890 68.9 128.7 100.6 56.0 -11.6 3.6 -7.0 58 58 A V < - 0 0 12 -5,-1.7 2,-0.4 -8,-0.1 -1,-0.2 -0.780 44.9-136.8-128.6 175.5 -10.1 5.3 -4.0 59 59 A S + 0 0 101 -2,-0.2 -9,-0.0 18,-0.1 -10,-0.0 -0.907 20.5 171.3-142.3 111.5 -8.2 8.6 -3.3 60 60 A I - 0 0 10 -2,-0.4 5,-0.1 -11,-0.0 -7,-0.1 -0.935 30.4-134.4-122.0 102.1 -5.1 8.8 -1.1 61 61 A P >> - 0 0 77 0, 0.0 4,-3.5 0, 0.0 3,-0.7 -0.114 22.2-109.1 -55.7 154.7 -3.4 12.3 -1.3 62 62 A D H 3> S+ 0 0 130 1,-0.3 4,-2.9 2,-0.2 -16,-0.0 0.899 120.1 50.3 -51.5 -49.8 0.4 12.7 -1.7 63 63 A D H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.815 117.0 41.2 -59.7 -32.6 0.7 14.0 1.9 64 64 A V H X4 S+ 0 0 42 -3,-0.7 3,-1.2 2,-0.1 -2,-0.2 0.891 114.6 49.5 -84.8 -43.9 -1.3 11.0 3.2 65 65 A A H >< S+ 0 0 0 -4,-3.5 3,-1.4 1,-0.3 2,-0.4 0.942 111.5 48.8 -62.5 -46.2 0.3 8.3 1.0 66 66 A G T 3< S+ 0 0 44 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.025 108.5 58.8 -85.1 35.2 3.8 9.4 1.9 67 67 A R T < S+ 0 0 167 -3,-1.2 2,-1.3 -2,-0.4 -1,-0.3 0.255 71.9 102.0-140.7 -3.6 2.8 9.4 5.5 68 68 A V < + 0 0 8 -3,-1.4 -33,-0.1 -4,-0.2 6,-0.1 -0.742 44.2 175.7 -90.3 88.7 1.7 5.7 5.9 69 69 A D + 0 0 52 -2,-1.3 -34,-3.0 -35,-0.1 -33,-0.4 0.769 66.8 47.6 -67.5 -28.3 4.7 4.4 7.6 70 70 A T S >> S- 0 0 17 -36,-0.2 3,-1.6 -3,-0.2 4,-0.9 -0.928 82.0-130.0-117.5 142.2 3.2 1.0 8.0 71 71 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.766 106.5 67.2 -60.0 -25.3 1.4 -1.0 5.3 72 72 A R H 3> S+ 0 0 117 -41,-0.8 4,-1.7 1,-0.2 -41,-0.1 0.816 97.5 54.2 -66.2 -26.4 -1.5 -1.6 7.6 73 73 A E H <> S+ 0 0 69 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.869 104.8 52.7 -73.6 -36.3 -2.2 2.1 7.3 74 74 A L H X S+ 0 0 2 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.941 114.1 42.2 -64.8 -45.7 -2.3 2.0 3.5 75 75 A L H X S+ 0 0 25 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.832 111.4 57.3 -70.2 -29.9 -4.9 -0.8 3.7 76 76 A D H X S+ 0 0 109 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.917 108.5 46.2 -64.4 -45.0 -6.7 1.1 6.6 77 77 A L H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.955 115.4 44.8 -60.9 -52.0 -7.0 4.0 4.2 78 78 A I H X S+ 0 0 1 -4,-2.4 4,-3.5 2,-0.2 5,-0.4 0.842 110.8 56.3 -65.1 -31.9 -8.2 1.9 1.4 79 79 A N H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.967 110.5 43.2 -59.9 -50.5 -10.5 0.0 3.9 80 80 A G H < S+ 0 0 42 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.773 119.2 45.4 -68.8 -26.0 -12.2 3.3 4.9 81 81 A A H < S+ 0 0 33 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.942 116.6 40.4 -82.0 -51.3 -12.3 4.4 1.3 82 82 A L H >< S+ 0 0 17 -4,-3.5 3,-1.1 1,-0.2 -79,-0.2 0.835 113.3 53.9 -69.3 -35.0 -13.6 1.2 -0.4 83 83 A A T 3< S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.4 -3,-0.2 0.767 112.4 45.3 -72.2 -22.0 -16.1 0.3 2.4 84 84 A E T 3 S+ 0 0 174 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 0.169 101.7 87.1-106.6 14.8 -17.6 3.7 2.0 85 85 A A < 0 0 42 -3,-1.1 -27,-0.0 0, 0.0 -28,-0.0 -0.843 360.0 360.0-111.9 149.8 -17.6 3.5 -1.7 86 86 A A 0 0 175 -2,-0.3 -3,-0.1 -84,-0.1 -4,-0.1 -0.643 360.0 360.0-123.1 360.0 -20.4 2.1 -3.8