==== 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 2KG6 . COMPND 2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.P.CRUMP,S.E.EVANS,P.ELIZA,W.CHRISTOPHER . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 64.0 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 . 5 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 43.0 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 1 0 0 0 2 0 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 0 184 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.9 14.9 -4.2 6.5 2 2 A A + 0 0 32 83,-0.1 2,-0.3 84,-0.1 83,-0.1 -0.025 360.0 145.6 -99.9 28.7 14.7 -2.8 2.9 3 3 A T - 0 0 100 1,-0.1 80,-0.1 83,-0.0 79,-0.0 -0.559 61.4 -99.3 -71.8 122.1 13.8 -6.2 1.6 4 4 A L - 0 0 101 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.085 44.5-118.0 -42.5 139.0 11.4 -5.8 -1.4 5 5 A L - 0 0 9 70,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.472 22.3-148.4 -90.8 154.3 7.9 -6.4 -0.3 6 6 A T > - 0 0 79 -2,-0.2 4,-1.8 1,-0.0 5,-0.2 -0.458 38.4 -87.6-107.4-177.9 5.5 -8.9 -1.5 7 7 A T H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.918 128.1 51.7 -55.0 -47.2 1.8 -9.1 -2.0 8 8 A D H > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.843 104.9 55.6 -64.6 -33.6 1.3 -10.1 1.7 9 9 A D H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 111.7 43.9 -64.5 -42.6 3.4 -7.2 2.9 10 10 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.923 111.6 54.5 -64.6 -46.1 1.1 -4.9 1.1 11 11 A R H X S+ 0 0 94 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.920 104.9 53.7 -50.1 -52.2 -1.9 -6.9 2.4 12 12 A R H >X S+ 0 0 143 -4,-2.9 4,-2.2 1,-0.2 3,-0.6 0.907 111.9 44.3 -52.4 -48.0 -0.7 -6.4 6.0 13 13 A A H 3X S+ 0 0 6 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.888 109.3 56.3 -67.0 -39.5 -0.6 -2.7 5.5 14 14 A L H 3< S+ 0 0 1 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.660 109.1 47.9 -68.3 -18.7 -3.9 -2.6 3.7 15 15 A V H XX S+ 0 0 55 -4,-1.3 4,-1.9 -3,-0.6 3,-0.6 0.905 113.5 46.3 -80.3 -52.3 -5.5 -4.3 6.8 16 16 A E H 3< S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.844 114.4 47.0 -57.3 -38.8 -3.9 -1.9 9.2 17 17 A S T 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.721 107.0 59.3 -80.3 -20.4 -4.8 1.2 7.2 18 18 A A T <4 S- 0 0 48 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.938 110.6-113.7 -74.8 -48.2 -8.4 -0.0 6.7 19 19 A G < - 0 0 43 -4,-1.9 2,-0.3 25,-0.0 -1,-0.2 -0.788 47.8 -40.3 158.3-109.4 -9.2 -0.2 10.4 20 20 A E S S+ 0 0 168 -2,-0.3 3,-0.2 1,-0.1 -4,-0.0 -0.967 109.5 15.0-159.0 139.7 -10.0 -3.2 12.5 21 21 A T S S- 0 0 132 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.957 77.7-164.1 58.2 55.8 -12.0 -6.4 12.1 22 22 A D - 0 0 57 -3,-0.1 2,-1.8 1,-0.1 -1,-0.2 -0.613 11.8-157.9 -82.7 100.8 -12.1 -5.9 8.4 23 23 A G + 0 0 86 -2,-1.1 2,-0.3 -3,-0.2 -1,-0.1 -0.640 56.4 95.1 -80.0 83.8 -14.7 -8.1 7.0 24 24 A T S S- 0 0 97 -2,-1.8 2,-0.4 2,-0.0 14,-0.0 -0.850 75.4-109.3-151.7-173.1 -13.4 -8.2 3.5 25 25 A D + 0 0 135 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.903 44.2 153.6-135.1 100.5 -11.3 -10.4 1.3 26 26 A L + 0 0 19 -2,-0.4 2,-0.3 2,-0.0 -12,-0.1 -0.767 38.3 76.3-136.8 82.8 -8.0 -8.9 0.5 27 27 A S + 0 0 47 -2,-0.4 2,-1.0 -16,-0.0 -2,-0.0 -0.877 61.2 56.7-163.1-167.8 -5.2 -11.4 -0.2 28 28 A G S S- 0 0 60 -2,-0.3 2,-0.2 1,-0.2 -21,-0.1 -0.575 125.2 -20.0 73.8-102.7 -4.1 -13.7 -3.0 29 29 A D S S+ 0 0 104 -2,-1.0 3,-0.4 1,-0.1 -1,-0.2 -0.704 73.4 151.4-141.2 78.9 -3.7 -11.3 -5.9 30 30 A F > + 0 0 2 -2,-0.2 3,-2.1 1,-0.2 42,-0.2 0.324 41.2 112.2 -86.4 3.6 -5.6 -8.2 -5.1 31 31 A L T 3 S+ 0 0 24 1,-0.3 41,-1.5 40,-0.2 42,-0.3 0.692 77.1 46.1 -53.3 -27.0 -3.1 -6.2 -7.2 32 32 A D T 3 S+ 0 0 94 -3,-0.4 2,-0.5 38,-0.1 -1,-0.3 0.403 86.4 105.7 -99.7 1.1 -5.7 -5.4 -9.9 33 33 A L S < S- 0 0 74 -3,-2.1 2,-0.1 1,-0.0 39,-0.1 -0.716 75.0-123.0 -83.5 125.5 -8.5 -4.4 -7.5 34 34 A R >> - 0 0 122 -2,-0.5 3,-1.7 36,-0.2 4,-1.5 -0.439 13.0-125.1 -71.5 140.0 -9.0 -0.7 -7.5 35 35 A F T 34>S+ 0 0 6 34,-2.6 5,-3.1 1,-0.3 3,-0.2 0.868 109.9 61.4 -48.5 -43.7 -8.6 1.1 -4.2 36 36 A E T >45S+ 0 0 138 33,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.781 105.5 47.6 -55.1 -29.8 -12.1 2.7 -4.6 37 37 A D T <45S+ 0 0 129 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.865 108.5 53.1 -84.2 -33.3 -13.6 -0.8 -4.7 38 38 A I T 3<5S- 0 0 25 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.127 125.7 -93.7 -94.1 24.1 -11.8 -2.1 -1.7 39 39 A G T < 5S+ 0 0 66 -3,-0.5 2,-0.8 1,-0.2 -3,-0.2 0.709 82.8 136.6 76.2 20.6 -12.9 0.8 0.5 40 40 A Y < + 0 0 5 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.1 -0.881 24.3 172.7-106.6 106.0 -9.9 2.9 -0.1 41 41 A D - 0 0 134 -2,-0.8 -1,-0.2 -3,-0.1 -5,-0.1 0.994 58.2 -96.2 -68.4 -67.3 -10.7 6.5 -0.6 42 42 A S S > S+ 0 0 36 -7,-0.1 4,-2.2 -6,-0.0 5,-0.1 0.067 112.1 72.8 172.6 -28.6 -7.0 7.7 -0.6 43 43 A L H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.952 105.2 42.4 -67.1 -46.7 -6.3 9.0 2.9 44 44 A A H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.798 110.8 59.1 -65.5 -28.4 -6.2 5.4 4.2 45 45 A L H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 106.7 45.5 -66.5 -42.1 -4.2 4.7 1.0 46 46 A M H X S+ 0 0 56 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.875 106.8 60.2 -66.8 -37.1 -1.6 7.3 2.2 47 47 A E H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 104.1 50.5 -55.6 -42.1 -1.8 5.7 5.6 48 48 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.970 113.7 43.1 -59.5 -57.1 -0.6 2.4 4.0 49 49 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.919 112.8 53.1 -56.5 -47.4 2.3 4.1 2.2 50 50 A A H X S+ 0 0 40 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.848 108.9 49.1 -59.4 -40.8 3.2 6.1 5.4 51 51 A R H X S+ 0 0 80 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.894 112.1 47.7 -66.8 -40.2 3.3 3.0 7.5 52 52 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.2 6,-0.6 0.837 107.4 60.6 -68.4 -32.0 5.5 1.3 5.0 53 53 A E H X>S+ 0 0 47 -4,-2.3 4,-1.8 -5,-0.2 5,-1.0 0.973 111.1 35.3 -56.7 -61.1 7.7 4.4 4.9 54 54 A S H <5S+ 0 0 102 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.897 122.1 47.6 -64.0 -42.2 8.7 4.4 8.5 55 55 A R H <5S+ 0 0 153 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.933 125.5 24.3 -66.2 -50.4 8.9 0.6 8.7 56 56 A Y H <5S- 0 0 39 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.524 108.5-108.5-101.2 -5.9 10.9 -0.2 5.6 57 57 A G T <5S+ 0 0 53 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.2 0.787 74.1 128.3 86.5 29.4 12.7 3.1 5.2 58 58 A V < - 0 0 13 -5,-1.0 2,-0.3 -6,-0.6 -1,-0.2 -0.480 46.0-144.6-105.5 176.9 10.9 4.3 2.1 59 59 A S - 0 0 90 18,-0.2 -9,-0.1 -2,-0.2 22,-0.0 -0.977 8.3-165.4-145.2 136.4 9.2 7.6 1.3 60 60 A I - 0 0 15 -2,-0.3 2,-0.1 -14,-0.1 -7,-0.1 -0.981 22.0-124.9-127.3 119.0 6.0 8.0 -0.8 61 61 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.339 19.6-124.7 -63.6 143.0 4.9 11.4 -2.2 62 62 A D H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.890 106.8 47.1 -53.3 -51.8 1.4 12.6 -1.3 63 63 A D H 34 S+ 0 0 114 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.691 110.5 54.5 -73.3 -19.9 0.0 13.2 -4.8 64 64 A V H X> S+ 0 0 26 -3,-0.6 4,-1.7 3,-0.1 3,-1.4 0.895 106.4 49.9 -77.5 -46.6 1.4 9.9 -6.0 65 65 A A H 3< S+ 0 0 1 -4,-2.1 2,-0.4 1,-0.3 3,-0.2 0.921 111.6 49.7 -58.3 -41.7 -0.4 8.0 -3.3 66 66 A G T 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.132 111.9 51.5 -90.2 40.1 -3.6 9.8 -4.2 67 67 A R T <4 S+ 0 0 161 -3,-1.4 -2,-0.2 -2,-0.4 -1,-0.2 0.479 80.8 97.7-139.6 -35.8 -3.0 8.9 -7.9 68 68 A V < - 0 0 17 -4,-1.7 -33,-0.1 -3,-0.2 -1,-0.0 -0.341 48.9-166.8 -71.8 138.3 -2.5 5.2 -8.0 69 69 A D + 0 0 61 1,-0.2 -34,-2.6 -35,-0.1 -33,-0.3 0.852 67.9 38.6 -92.9 -44.3 -5.5 3.1 -8.9 70 70 A T S >> S- 0 0 24 -36,-0.2 4,-1.2 -35,-0.1 3,-1.0 -0.821 78.1-120.7-116.5 151.0 -4.4 -0.4 -8.0 71 71 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.765 108.8 71.9 -59.3 -26.9 -2.3 -1.8 -5.1 72 72 A R H 3> S+ 0 0 129 -41,-1.5 4,-2.2 1,-0.2 5,-0.1 0.929 99.6 45.0 -50.2 -50.6 0.1 -3.1 -7.7 73 73 A E H <> S+ 0 0 65 -3,-1.0 4,-1.9 -42,-0.3 -1,-0.2 0.876 112.4 50.2 -65.0 -40.6 1.3 0.4 -8.3 74 74 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.919 110.7 49.8 -68.0 -43.4 1.5 1.3 -4.6 75 75 A L H X S+ 0 0 15 -4,-3.1 4,-3.2 1,-0.2 -70,-0.2 0.900 110.4 51.0 -58.7 -41.1 3.6 -1.8 -4.0 76 76 A D H X S+ 0 0 112 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.829 105.5 55.7 -69.1 -32.7 5.8 -0.9 -6.9 77 77 A L H X S+ 0 0 45 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.920 112.7 42.6 -61.8 -45.1 6.2 2.6 -5.4 78 78 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.965 116.0 47.0 -65.1 -55.4 7.5 1.0 -2.2 79 79 A N H X S+ 0 0 32 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.843 109.5 54.4 -58.8 -36.2 9.7 -1.6 -4.0 80 80 A G H X S+ 0 0 34 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.917 112.0 44.2 -62.9 -41.0 11.1 1.1 -6.2 81 81 A A H X S+ 0 0 25 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.862 111.1 54.6 -70.9 -37.4 12.1 3.1 -3.1 82 82 A L H < S+ 0 0 1 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.874 104.4 53.9 -63.3 -39.0 13.4 -0.1 -1.5 83 83 A A H < S+ 0 0 55 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.839 111.9 45.3 -63.7 -31.7 15.6 -0.8 -4.4 84 84 A E H < S+ 0 0 167 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.702 111.5 53.4 -81.4 -21.2 17.0 2.8 -3.9 85 85 A A < 0 0 48 -4,-1.3 -1,-0.2 -83,-0.1 -2,-0.2 0.322 360.0 360.0 -96.0 5.1 17.2 2.1 -0.2 86 86 A A 0 0 128 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.935 360.0 360.0 -88.2 360.0 19.3 -1.0 -0.8