==== 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 07-MAR-09 2KG9 . COMPND 2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.P.CRUMP,S.E.EVANS,C.WILLIAMS . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 61.6 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 . 5 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 41.9 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 1 1 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 0 219 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 19.8 8.4 1.1 2 2 A A - 0 0 50 84,-0.1 2,-0.9 82,-0.0 81,-0.2 -0.828 360.0-142.8 -91.8 106.5 17.0 5.9 1.1 3 3 A T - 0 0 83 -2,-0.9 2,-0.2 79,-0.3 82,-0.1 -0.630 28.6-174.7 -74.2 106.6 14.0 7.6 -0.5 4 4 A L - 0 0 89 -2,-0.9 2,-0.3 1,-0.1 72,-0.1 -0.573 25.4-100.7-102.1 167.1 11.1 6.3 1.5 5 5 A L - 0 0 9 70,-0.2 2,-0.2 -2,-0.2 74,-0.1 -0.656 30.5-153.3 -90.3 140.2 7.4 6.7 1.1 6 6 A T > - 0 0 87 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.496 36.4 -95.9 -99.0 174.7 5.5 9.1 3.2 7 7 A T H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.931 126.5 50.4 -55.7 -48.2 1.8 8.9 4.2 8 8 A D H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 109.5 48.9 -57.8 -43.7 0.9 11.2 1.3 9 9 A D H > S+ 0 0 33 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 115.8 43.9 -67.7 -40.3 2.9 9.2 -1.3 10 10 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.896 108.9 59.8 -67.3 -41.1 1.2 6.0 -0.0 11 11 A R H X S+ 0 0 102 -4,-3.0 4,-2.4 1,-0.3 3,-0.3 0.931 105.9 45.7 -52.7 -54.3 -2.2 7.9 0.0 12 12 A R H X S+ 0 0 139 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.799 108.3 58.4 -61.8 -29.5 -2.1 8.6 -3.7 13 13 A A H X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.2 3,-0.3 0.874 107.7 45.7 -67.3 -39.2 -1.0 5.0 -4.3 14 14 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 -3,-0.3 -2,-0.2 0.892 109.2 55.3 -66.9 -41.1 -4.2 3.9 -2.6 15 15 A V H < S+ 0 0 62 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.706 101.5 62.8 -63.0 -16.4 -6.0 6.5 -4.7 16 16 A E H >< S+ 0 0 72 -4,-0.7 3,-1.1 -3,-0.3 -2,-0.2 0.976 107.3 37.9 -71.4 -54.0 -4.4 4.8 -7.7 17 17 A S H 3< S+ 0 0 21 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.615 115.6 55.2 -77.1 -12.9 -6.2 1.4 -7.3 18 18 A A T 3< S+ 0 0 20 -4,-1.1 2,-1.7 -5,-0.2 4,-0.5 0.538 86.5 92.4 -91.5 -9.8 -9.3 3.2 -6.2 19 19 A G < + 0 0 52 -3,-1.1 -1,-0.1 -4,-0.3 -4,-0.0 -0.574 43.8 105.7 -90.0 73.2 -9.2 5.2 -9.4 20 20 A E S S- 0 0 141 -2,-1.7 -1,-0.2 3,-0.1 -3,-0.1 0.194 94.7-106.4-127.6 7.9 -11.3 3.0 -11.6 21 21 A T S S+ 0 0 142 -3,-0.4 -2,-0.1 2,-0.0 -3,-0.0 0.997 89.5 103.1 60.9 67.0 -14.3 5.5 -11.4 22 22 A D - 0 0 137 -4,-0.5 2,-0.3 1,-0.1 -3,-0.1 0.481 66.5-131.1-133.7 -64.9 -16.6 3.5 -9.1 23 23 A G + 0 0 33 -5,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.873 67.3 102.0 132.0-163.7 -16.7 4.7 -5.6 24 24 A T + 0 0 141 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.860 63.0 134.8 51.8 45.3 -16.5 3.1 -2.2 25 25 A D - 0 0 61 1,-0.1 -1,-0.2 -7,-0.0 14,-0.1 -0.618 61.8-119.9-117.0 176.4 -12.9 4.2 -1.7 26 26 A L + 0 0 25 -2,-0.2 3,-0.2 12,-0.1 -1,-0.1 0.985 34.9 172.1 -79.6 -63.6 -10.8 5.8 1.1 27 27 A S + 0 0 76 1,-0.2 2,-0.5 -16,-0.2 -15,-0.1 0.967 64.4 11.9 43.7 95.3 -9.6 9.1 -0.3 28 28 A G S S+ 0 0 30 -17,-0.1 2,-0.4 -20,-0.1 -1,-0.2 -0.960 120.3 22.3 123.6-118.7 -7.9 11.0 2.7 29 29 A D + 0 0 114 -2,-0.5 0, 0.0 -3,-0.2 0, 0.0 -0.743 65.6 123.1 -94.4 135.1 -7.1 9.2 6.0 30 30 A F > + 0 0 1 -2,-0.4 3,-1.9 3,-0.1 42,-0.2 0.344 36.7 107.0-161.3 -24.2 -6.8 5.5 5.9 31 31 A L T 3 S+ 0 0 23 1,-0.3 41,-2.2 40,-0.2 42,-0.3 0.708 88.7 37.0 -47.7 -35.7 -3.3 4.7 7.2 32 32 A D T 3 S+ 0 0 78 39,-0.2 -1,-0.3 38,-0.1 2,-0.1 0.506 103.0 87.7-100.7 -7.0 -4.4 3.3 10.6 33 33 A L S < S- 0 0 56 -3,-1.9 39,-0.2 1,-0.1 2,-0.2 -0.393 86.8 -97.2 -87.7 164.9 -7.5 1.5 9.4 34 34 A R > - 0 0 127 36,-0.2 4,-1.5 1,-0.1 36,-0.2 -0.610 22.3-128.8 -79.0 145.9 -7.7 -2.0 8.0 35 35 A F T 4>S+ 0 0 7 34,-1.3 5,-3.3 1,-0.2 3,-0.4 0.923 115.4 56.9 -54.4 -43.6 -7.6 -2.5 4.2 36 36 A E T >45S+ 0 0 154 33,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.873 107.2 47.9 -52.4 -38.5 -10.7 -4.6 4.8 37 37 A D T 345S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.771 108.4 53.4 -82.4 -22.6 -12.3 -1.6 6.5 38 38 A I T 3<5S- 0 0 14 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.228 124.5 -97.2 -98.3 18.1 -11.4 0.9 3.7 39 39 A G T < 5S+ 0 0 50 -3,-0.9 2,-0.8 1,-0.2 -3,-0.2 0.724 77.1 145.8 77.1 21.4 -12.9 -1.3 1.0 40 40 A Y < + 0 0 15 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.828 20.9 175.7-101.2 104.1 -9.6 -2.9 0.1 41 41 A D > - 0 0 90 -2,-0.8 4,-3.0 -3,-0.1 5,-0.3 -0.277 51.9 -80.9 -90.5-178.6 -9.9 -6.5 -1.0 42 42 A S H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.877 130.6 44.2 -54.6 -41.6 -7.1 -8.7 -2.3 43 43 A L H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 114.8 48.0 -72.7 -44.7 -7.3 -7.2 -5.9 44 44 A A H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.940 113.7 46.1 -62.1 -47.4 -7.5 -3.7 -4.7 45 45 A L H X S+ 0 0 16 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.909 111.9 51.0 -64.4 -43.3 -4.6 -3.9 -2.3 46 46 A M H X S+ 0 0 86 -4,-2.0 4,-3.5 -5,-0.3 -1,-0.2 0.838 105.6 56.9 -65.4 -30.5 -2.4 -5.7 -4.8 47 47 A E H X S+ 0 0 73 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.921 108.7 45.8 -67.4 -41.0 -3.1 -3.0 -7.3 48 48 A T H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.951 116.0 47.0 -61.2 -51.3 -1.8 -0.4 -4.8 49 49 A A H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.957 111.2 49.8 -55.9 -54.7 1.2 -2.6 -4.1 50 50 A A H X S+ 0 0 30 -4,-3.5 4,-1.9 1,-0.2 5,-0.3 0.806 108.1 55.3 -56.9 -35.6 2.0 -3.3 -7.8 51 51 A R H X S+ 0 0 95 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.949 116.4 35.9 -62.1 -50.0 1.7 0.4 -8.5 52 52 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.2 5,-0.3 0.939 116.7 53.2 -69.1 -47.0 4.4 1.2 -5.9 53 53 A E H X>S+ 0 0 32 -4,-3.5 5,-2.5 1,-0.2 4,-1.8 0.935 111.8 42.6 -54.6 -57.3 6.5 -1.9 -6.5 54 54 A S H <5S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 114.5 51.1 -64.5 -36.3 7.0 -1.5 -10.2 55 55 A R H <5S+ 0 0 110 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.935 119.5 33.4 -67.6 -45.7 7.6 2.2 -10.0 56 56 A Y H <5S- 0 0 54 -4,-2.4 30,-0.8 -5,-0.1 -2,-0.2 0.554 115.4-107.9 -94.4 -8.3 10.3 2.1 -7.3 57 57 A G T <5S+ 0 0 57 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.940 74.5 115.4 85.4 50.3 11.8 -1.2 -8.3 58 58 A V < - 0 0 30 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.846 49.4-141.9-136.3 177.0 10.8 -3.6 -5.7 59 59 A S - 0 0 104 -2,-0.3 -9,-0.0 19,-0.1 -10,-0.0 -0.967 10.7-150.5-147.2 125.7 8.6 -6.7 -5.3 60 60 A I - 0 0 17 -2,-0.3 2,-0.2 1,-0.0 5,-0.0 -0.800 28.9-108.4 -97.5 135.3 6.4 -7.6 -2.3 61 61 A P > - 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.483 23.9-134.7 -59.8 128.6 5.7 -11.3 -1.3 62 62 A D H > S+ 0 0 131 1,-0.2 4,-0.5 2,-0.2 5,-0.1 0.838 105.8 50.2 -58.4 -32.9 2.1 -12.1 -2.2 63 63 A D H >4 S+ 0 0 118 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.881 109.4 50.3 -73.9 -34.6 1.6 -13.8 1.1 64 64 A V H >> S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.793 99.9 64.0 -77.8 -23.5 3.0 -10.8 3.0 65 65 A A H 3< S+ 0 0 19 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 107.4 45.0 -64.9 -23.5 0.6 -8.5 1.0 66 66 A G T << S+ 0 0 63 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.283 106.9 60.4-100.0 6.2 -2.0 -10.5 2.8 67 67 A R T <4 S+ 0 0 172 -3,-1.5 2,-0.7 -5,-0.1 -2,-0.2 0.502 83.4 88.5-105.1 -16.0 -0.1 -10.1 6.1 68 68 A V < + 0 0 9 -4,-1.0 -33,-0.1 1,-0.2 4,-0.0 -0.786 49.1 172.6 -84.4 112.6 -0.3 -6.4 6.0 69 69 A D + 0 0 84 -2,-0.7 -34,-1.3 1,-0.2 -33,-0.3 0.669 64.1 42.4 -96.4 -20.8 -3.5 -5.4 7.8 70 70 A T S > S- 0 0 18 -36,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.958 76.0-129.2-127.1 144.7 -2.9 -1.7 7.9 71 71 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.826 113.1 62.5 -55.8 -33.4 -1.6 0.7 5.3 72 72 A R H > S+ 0 0 145 -41,-2.2 4,-1.9 -39,-0.2 5,-0.1 0.948 107.6 41.4 -51.8 -51.8 0.8 1.9 8.1 73 73 A E H > S+ 0 0 86 -42,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.863 114.3 51.6 -66.7 -38.6 2.2 -1.6 8.1 74 74 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.885 106.3 55.9 -67.2 -38.7 2.2 -1.9 4.3 75 75 A L H X S+ 0 0 21 -4,-3.1 4,-2.9 1,-0.2 -70,-0.2 0.940 109.1 45.9 -56.7 -49.8 4.0 1.5 4.1 76 76 A D H X S+ 0 0 117 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.856 107.4 58.8 -64.3 -35.1 6.8 0.1 6.3 77 77 A L H X S+ 0 0 47 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.893 113.0 38.3 -62.6 -39.3 6.9 -3.1 4.3 78 78 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.898 114.0 55.3 -78.8 -38.5 7.7 -1.1 1.2 79 79 A N H X S+ 0 0 21 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.844 105.7 52.6 -62.8 -34.2 9.9 1.3 3.1 80 80 A G H < S+ 0 0 37 -4,-2.7 4,-0.4 2,-0.2 -1,-0.3 0.872 113.1 44.5 -66.5 -35.5 12.0 -1.6 4.3 81 81 A A H >< S+ 0 0 28 -4,-1.0 3,-1.3 -5,-0.2 -2,-0.2 0.893 107.7 58.9 -73.6 -39.6 12.3 -2.7 0.7 82 82 A L H >< S+ 0 0 7 -4,-3.0 3,-1.6 1,-0.3 -79,-0.3 0.791 95.5 62.2 -61.9 -32.2 13.1 0.9 -0.5 83 83 A A T 3< S+ 0 0 64 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.783 114.0 36.6 -63.8 -23.7 16.1 1.1 1.8 84 84 A E T < S+ 0 0 174 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.101 110.3 85.6-113.7 17.4 17.4 -1.7 -0.3 85 85 A A < 0 0 32 -3,-1.6 -28,-0.1 -82,-0.1 -27,-0.1 -0.200 360.0 360.0-104.8-164.6 15.9 -0.4 -3.6 86 86 A A 0 0 134 -30,-0.8 -3,-0.1 -29,-0.2 -84,-0.1 -0.735 360.0 360.0-120.8 360.0 17.1 2.0 -6.2