==== 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 08-MAR-09 2KGE . 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) . 5359.0 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 . 9 10.5 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 0 0 1 1 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 0 237 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.6 -18.5 11.0 -2.1 2 2 A A - 0 0 42 84,-0.3 2,-0.4 1,-0.1 81,-0.1 0.060 360.0 -96.3 69.4 176.2 -16.3 8.2 -0.6 3 3 A T - 0 0 78 79,-0.2 2,-0.3 76,-0.1 -1,-0.1 -0.965 41.8-174.7-133.2 107.9 -12.9 8.4 0.9 4 4 A L - 0 0 97 -2,-0.4 2,-0.4 79,-0.0 5,-0.1 -0.726 28.4-105.7-104.5 161.2 -10.0 7.6 -1.4 5 5 A L - 0 0 7 -2,-0.3 2,-0.1 70,-0.2 74,-0.1 -0.707 31.9-159.4 -88.1 130.5 -6.3 7.3 -0.7 6 6 A T > - 0 0 74 -2,-0.4 4,-1.7 1,-0.0 5,-0.2 -0.240 41.2 -88.7 -90.9-170.8 -4.1 10.1 -1.8 7 7 A T H > S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.818 129.6 50.3 -71.2 -26.2 -0.4 9.8 -2.4 8 8 A D H > S+ 0 0 90 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.920 106.5 54.2 -75.6 -43.6 0.1 10.8 1.3 9 9 A D H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.937 114.7 38.2 -57.2 -53.3 -2.3 8.2 2.7 10 10 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.887 112.4 59.1 -69.1 -36.3 -0.6 5.3 1.0 11 11 A R H X S+ 0 0 41 -4,-1.4 4,-2.9 -5,-0.2 -2,-0.2 0.916 103.7 52.2 -56.7 -45.5 2.8 6.7 1.6 12 12 A R H X S+ 0 0 160 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.894 105.7 54.5 -59.3 -42.0 2.2 6.8 5.3 13 13 A A H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.943 112.4 42.2 -58.3 -51.7 1.2 3.1 5.3 14 14 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.944 118.7 45.7 -58.3 -51.1 4.5 2.1 3.6 15 15 A V H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 7,-0.2 0.948 115.2 45.2 -58.9 -54.9 6.6 4.4 5.8 16 16 A E H < S+ 0 0 72 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.0 49.5 -60.9 -37.5 4.9 3.4 9.1 17 17 A S H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.891 114.3 44.3 -71.7 -37.5 5.0 -0.3 8.3 18 18 A A H < S- 0 0 45 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.842 123.1-103.8 -74.7 -33.9 8.7 -0.2 7.3 19 19 A G < - 0 0 36 -4,-2.6 2,-0.2 -5,-0.2 -1,-0.1 -0.731 68.7 -30.2 151.8 -93.3 9.6 1.9 10.3 20 20 A E S S- 0 0 151 -2,-0.3 -4,-0.1 -3,-0.1 -5,-0.1 -0.657 108.7 -44.2-165.3 93.0 10.2 5.6 9.8 21 21 A T S S+ 0 0 89 -2,-0.2 2,-0.8 1,-0.2 4,-0.1 0.833 71.2 169.9 46.2 50.0 11.7 6.8 6.5 22 22 A D S S- 0 0 109 -7,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.017 81.4 -57.8 -80.4 34.5 14.3 4.0 6.5 23 23 A G S S+ 0 0 57 -2,-0.8 2,-1.4 1,-0.2 -1,-0.2 0.244 108.2 129.6 102.4 -9.4 15.3 4.8 2.9 24 24 A T + 0 0 11 -9,-0.1 2,-0.9 -10,-0.1 -1,-0.2 -0.665 35.2 178.5 -79.4 86.7 11.7 4.3 1.9 25 25 A D + 0 0 105 -2,-1.4 -1,-0.0 1,-0.1 -14,-0.0 -0.864 21.2 155.1-100.7 104.4 11.2 7.5 0.0 26 26 A L + 0 0 2 -2,-0.9 -1,-0.1 -15,-0.1 2,-0.1 0.061 25.8 151.2-111.3 18.9 7.8 7.7 -1.4 27 27 A S - 0 0 87 -16,-0.1 2,-0.5 3,-0.1 -2,-0.1 -0.324 65.5 -11.6 -56.9 124.9 7.9 11.4 -1.4 28 28 A G S S- 0 0 45 -2,-0.1 2,-0.4 2,-0.0 -17,-0.1 -0.735 131.1 -0.8 84.5-126.8 5.8 12.9 -4.1 29 29 A D + 0 0 102 -2,-0.5 -2,-0.0 1,-0.1 -22,-0.0 -0.806 56.7 165.3 -98.7 138.3 4.6 10.3 -6.6 30 30 A F > + 0 0 0 -2,-0.4 3,-0.8 3,-0.1 42,-0.2 0.099 47.0 103.4-138.7 22.0 5.6 6.7 -6.1 31 31 A L T 3 S+ 0 0 34 1,-0.2 41,-1.1 40,-0.2 42,-0.2 0.817 78.0 55.3 -78.1 -27.5 3.2 4.9 -8.3 32 32 A D T 3 S+ 0 0 134 39,-0.1 -1,-0.2 38,-0.1 2,-0.1 0.206 94.3 92.3 -95.5 15.6 5.7 4.3 -11.1 33 33 A L S < S- 0 0 52 -3,-0.8 2,-0.3 -7,-0.0 39,-0.3 -0.351 71.0-128.6 -94.8-178.8 8.1 2.6 -8.6 34 34 A R > - 0 0 155 36,-0.2 4,-1.1 -2,-0.1 36,-0.3 -0.955 12.3-127.8-134.0 151.7 8.2 -1.1 -7.9 35 35 A F T 4>S+ 0 0 6 34,-3.0 5,-2.7 -2,-0.3 3,-0.4 0.898 113.0 47.4 -69.6 -40.2 8.2 -2.9 -4.5 36 36 A E T >45S+ 0 0 147 33,-0.3 3,-1.2 3,-0.2 -1,-0.2 0.908 109.4 57.5 -64.0 -36.2 11.3 -4.9 -5.1 37 37 A D T 345S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.769 112.3 40.0 -64.1 -27.4 12.8 -1.6 -6.3 38 38 A I T 3<5S- 0 0 31 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.313 122.0-105.2-107.5 10.8 12.0 -0.1 -2.9 39 39 A G T < 5 + 0 0 56 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.915 68.4 147.0 71.7 45.5 12.9 -3.2 -0.9 40 40 A Y < - 0 0 13 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.898 32.2-160.6-115.2 142.1 9.5 -4.5 -0.0 41 41 A D >> - 0 0 115 -2,-0.4 4,-1.2 1,-0.0 3,-0.5 -0.701 38.3-108.2-104.2 169.4 8.2 -8.0 0.4 42 42 A S H 3> S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.795 116.8 70.0 -66.9 -27.1 4.6 -8.9 0.2 43 43 A L H 3> S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 102.3 42.0 -56.4 -43.4 4.8 -9.5 4.0 44 44 A A H <> S+ 0 0 27 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.797 109.1 59.9 -75.3 -27.4 5.2 -5.7 4.5 45 45 A L H X S+ 0 0 6 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.858 101.9 53.2 -68.5 -35.3 2.4 -5.1 1.9 46 46 A M H X S+ 0 0 45 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.965 112.1 45.2 -58.2 -53.2 0.0 -7.1 4.0 47 47 A E H X S+ 0 0 119 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.857 111.9 52.5 -58.3 -41.9 0.9 -4.9 6.9 48 48 A T H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.966 115.2 40.1 -58.4 -55.5 0.6 -1.8 4.7 49 49 A A H >X S+ 0 0 3 -4,-3.0 4,-3.5 1,-0.2 3,-0.9 0.949 111.0 58.1 -61.2 -50.1 -2.9 -2.8 3.5 50 50 A A H 3X S+ 0 0 32 -4,-3.4 4,-2.6 1,-0.3 -1,-0.2 0.817 102.9 53.2 -50.9 -41.6 -4.1 -4.0 6.9 51 51 A R H 3X S+ 0 0 126 -4,-1.7 4,-1.0 2,-0.2 -1,-0.3 0.881 117.4 37.2 -65.6 -36.7 -3.4 -0.6 8.5 52 52 A L H S+ 0 0 32 -4,-3.5 5,-1.8 1,-0.2 4,-1.8 0.910 105.7 51.4 -53.5 -47.2 -8.1 -1.7 5.7 54 54 A S H <5S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 113.3 43.9 -62.2 -38.7 -8.7 -1.3 9.5 55 55 A R H <5S+ 0 0 184 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.961 121.1 36.3 -73.4 -49.2 -9.3 2.5 9.2 56 56 A Y H <5S- 0 0 46 -4,-2.7 -2,-0.2 1,-0.0 -1,-0.2 0.600 108.5-118.1 -85.2 -11.1 -11.5 2.6 6.1 57 57 A G T <5 + 0 0 65 -4,-1.8 2,-0.2 -5,-0.3 -3,-0.2 0.861 66.3 134.8 79.3 37.2 -13.3 -0.6 6.9 58 58 A V < - 0 0 18 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.615 41.7-149.2-112.1 175.4 -12.2 -2.6 3.9 59 59 A S + 0 0 104 -2,-0.2 -9,-0.0 19,-0.1 -10,-0.0 -0.931 12.4 179.0-152.3 116.4 -10.9 -6.0 3.3 60 60 A I - 0 0 15 -2,-0.3 5,-0.1 2,-0.0 -7,-0.1 -0.987 37.2-106.2-122.3 128.8 -8.5 -7.3 0.7 61 61 A P >> - 0 0 68 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.240 23.4-128.8 -51.6 138.6 -7.3 -10.9 0.4 62 62 A D H 3> S+ 0 0 114 1,-0.3 4,-2.9 2,-0.2 -13,-0.1 0.880 110.5 56.0 -58.5 -39.9 -3.7 -11.5 1.5 63 63 A D H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 -17,-0.0 0.792 110.8 44.1 -64.0 -28.2 -3.0 -13.2 -1.7 64 64 A V H X4 S+ 0 0 22 -3,-0.9 3,-0.8 1,-0.1 4,-0.3 0.815 112.1 52.1 -87.0 -33.7 -4.2 -10.1 -3.6 65 65 A A H >< S+ 0 0 4 -4,-2.4 2,-1.4 1,-0.3 3,-1.3 0.963 109.3 49.9 -65.0 -49.6 -2.3 -7.7 -1.4 66 66 A G T 3< S+ 0 0 27 -4,-2.9 -1,-0.3 1,-0.2 -24,-0.2 -0.251 99.6 69.9 -86.5 48.6 0.9 -9.6 -1.8 67 67 A R T < + 0 0 174 -2,-1.4 2,-0.3 -3,-0.8 -1,-0.2 0.379 67.5 107.4-136.2 -12.3 0.6 -9.6 -5.5 68 68 A V < - 0 0 15 -3,-1.3 -33,-0.1 -4,-0.3 -23,-0.1 -0.576 39.3-177.9 -78.8 127.2 1.1 -5.9 -6.4 69 69 A D S S+ 0 0 91 -2,-0.3 -34,-3.0 1,-0.1 -33,-0.3 0.773 72.5 48.3 -90.9 -32.4 4.5 -5.1 -8.0 70 70 A T S >> S- 0 0 19 -36,-0.3 4,-1.2 -35,-0.1 3,-0.6 -0.862 77.9-132.9-113.5 141.4 3.9 -1.4 -8.2 71 71 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -40,-0.2 0.783 107.3 67.9 -58.7 -27.1 2.7 0.9 -5.4 72 72 A R H 3> S+ 0 0 93 -41,-1.1 4,-3.1 -39,-0.3 5,-0.1 0.937 100.6 44.7 -55.2 -48.6 0.3 2.2 -8.0 73 73 A E H <> S+ 0 0 72 -3,-0.6 4,-2.6 -42,-0.2 -1,-0.2 0.768 109.5 55.6 -73.5 -24.0 -1.6 -1.0 -8.1 74 74 A L H X S+ 0 0 4 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.942 113.6 41.8 -68.7 -45.3 -1.6 -1.2 -4.3 75 75 A L H X S+ 0 0 19 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.944 115.9 49.9 -61.6 -49.3 -3.3 2.2 -4.3 76 76 A D H X S+ 0 0 96 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.894 110.7 50.5 -55.9 -46.6 -5.5 1.2 -7.2 77 77 A L H X S+ 0 0 37 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.945 114.6 41.0 -60.3 -53.2 -6.5 -2.0 -5.3 78 78 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 115.1 50.9 -65.7 -44.5 -7.4 -0.3 -2.0 79 79 A N H X S+ 0 0 29 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.792 107.7 55.8 -62.7 -27.0 -9.2 2.6 -3.8 80 80 A G H X S+ 0 0 36 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.942 109.8 43.4 -67.3 -45.9 -11.0 -0.0 -5.7 81 81 A A H < S+ 0 0 22 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.830 110.6 56.9 -67.4 -33.7 -12.3 -1.6 -2.5 82 82 A L H >< S+ 0 0 8 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.855 106.3 49.3 -64.5 -35.1 -13.0 1.9 -1.2 83 83 A A H 3< S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.720 103.1 61.2 -76.0 -22.1 -15.2 2.5 -4.2 84 84 A E T 3< S+ 0 0 171 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.585 105.1 59.9 -77.6 -13.0 -16.9 -0.9 -3.4 85 85 A A < 0 0 50 -3,-0.6 -28,-0.0 -4,-0.4 -27,-0.0 -0.391 360.0 360.0 -98.5-176.4 -17.8 0.7 -0.1 86 86 A A 0 0 151 -2,-0.2 -84,-0.3 -84,-0.0 -1,-0.1 0.179 360.0 360.0-152.7 360.0 -19.9 3.8 0.2