==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC BIOSYNTHESIS 23-MAR-97 2AF8 . COMPND 2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PRO . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.P.CRUMP,J.CROSBY,C.E.DEMPSEY,J.A.PARKINSON,M.MURRAY,D.A.HO . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 55.8 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 . 4 4.7 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 1 0 0 0 1 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 0 231 0, 0.0 2,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.0 -10.0 15.5 0.5 2 2 A A + 0 0 91 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.593 360.0 145.2 -79.4 89.5 -6.7 13.9 1.5 3 3 A T + 0 0 105 -2,-1.6 3,-0.1 1,-0.1 -1,-0.0 -0.883 6.9 151.2-132.4 102.0 -6.7 10.8 -0.7 4 4 A L - 0 0 76 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.919 69.6 -11.3 -90.6 -70.0 -3.4 9.6 -2.1 5 5 A L - 0 0 22 74,-0.1 -1,-0.3 4,-0.0 2,-0.3 -0.990 61.6-170.6-137.7 145.0 -3.7 5.8 -2.5 6 6 A T > - 0 0 59 -2,-0.3 4,-1.8 -3,-0.1 3,-0.5 -0.844 38.7-107.3-130.5 167.6 -6.2 3.2 -1.3 7 7 A T H > S+ 0 0 38 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.908 120.8 55.6 -59.8 -42.8 -6.6 -0.6 -1.2 8 8 A D H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.811 105.3 55.8 -60.2 -28.7 -9.2 -0.5 -3.9 9 9 A D H > S+ 0 0 48 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.960 105.1 47.3 -68.9 -53.3 -6.6 1.4 -6.0 10 10 A L H X S+ 0 0 7 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.840 110.3 56.7 -57.6 -32.5 -3.8 -1.2 -5.8 11 11 A R H X S+ 0 0 96 -4,-1.8 4,-1.6 1,-0.2 3,-0.3 0.933 103.2 51.3 -64.5 -47.5 -6.5 -3.8 -6.7 12 12 A R H X S+ 0 0 193 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.835 110.1 51.2 -59.3 -33.1 -7.4 -2.1 -9.9 13 13 A A H X S+ 0 0 13 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.812 107.7 52.2 -74.4 -30.5 -3.7 -2.0 -10.8 14 14 A L H < S+ 0 0 21 -4,-1.5 4,-0.5 -3,-0.3 -2,-0.2 0.759 112.5 45.3 -76.4 -25.4 -3.4 -5.8 -10.1 15 15 A V H X S+ 0 0 53 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.755 97.5 71.8 -87.6 -27.4 -6.4 -6.5 -12.4 16 16 A E H < S+ 0 0 144 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 98.6 50.8 -57.2 -30.4 -5.2 -4.2 -15.2 17 17 A C T < S+ 0 0 47 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.832 106.0 56.3 -76.2 -33.1 -2.5 -6.8 -15.9 18 18 A A T 4 S- 0 0 70 -4,-0.5 2,-0.3 -3,-0.3 -2,-0.2 0.991 92.3-148.3 -61.4 -63.8 -5.0 -9.7 -16.0 19 19 A G < - 0 0 50 -4,-1.9 2,-0.3 2,-0.1 -1,-0.2 -0.705 57.2 -2.5 131.8 -82.0 -7.2 -8.2 -18.7 20 20 A E + 0 0 190 -2,-0.3 2,-0.2 2,-0.0 -4,-0.0 -0.980 65.6 135.1-150.2 134.1 -10.8 -9.3 -18.3 21 21 A T - 0 0 87 -2,-0.3 -2,-0.1 2,-0.1 -3,-0.0 -0.661 29.9-164.6 179.9 119.5 -12.6 -11.6 -15.7 22 22 A D S S+ 0 0 165 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 -0.047 71.7 88.6 -99.2 31.2 -15.8 -11.2 -13.7 23 23 A G + 0 0 43 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.539 37.0 125.1 -93.8-119.5 -14.8 -14.0 -11.4 24 24 A T - 0 0 65 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.630 44.5-143.2 64.0 132.8 -12.7 -13.6 -8.2 25 25 A D + 0 0 148 2,-0.0 2,-1.0 0, 0.0 -1,-0.2 -0.675 29.3 163.3-129.8 77.1 -14.1 -14.9 -4.9 26 26 A L + 0 0 67 -2,-0.3 4,-0.1 1,-0.1 0, 0.0 -0.756 6.7 156.0 -99.5 90.6 -13.1 -12.4 -2.1 27 27 A S S S- 0 0 128 -2,-1.0 -1,-0.1 2,-0.2 3,-0.0 -0.080 82.0 -0.7-103.1 32.5 -15.3 -13.2 0.8 28 28 A G S S- 0 0 57 1,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.151 121.4 -17.3-173.1 -79.9 -12.8 -11.7 3.3 29 29 A D - 0 0 105 1,-0.0 -2,-0.2 0, 0.0 3,-0.1 -0.977 29.7-163.3-148.7 159.2 -9.5 -10.2 2.2 30 30 A F S S+ 0 0 41 -2,-0.3 2,-0.3 -4,-0.1 4,-0.2 0.059 70.5 90.2-131.7 23.3 -7.2 -10.3 -0.8 31 31 A L + 0 0 17 1,-0.1 41,-0.1 2,-0.1 -1,-0.1 -0.525 65.2 77.8-121.1 64.8 -4.0 -8.9 0.7 32 32 A D S S- 0 0 114 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.556 116.0 -9.5-132.6 -47.7 -2.2 -12.0 1.9 33 33 A L S S+ 0 0 102 37,-0.1 -2,-0.1 2,-0.1 37,-0.1 -0.097 80.3 134.5-151.3 39.3 -0.6 -13.7 -1.1 34 34 A R S > S+ 0 0 72 1,-0.2 4,-0.5 -4,-0.2 3,-0.4 0.867 82.7 45.3 -60.3 -36.6 -2.0 -11.9 -4.1 35 35 A F H >>S+ 0 0 1 34,-0.5 5,-1.8 1,-0.2 2,-0.9 0.826 110.4 55.8 -76.1 -32.1 1.5 -11.7 -5.6 36 36 A E H 45S+ 0 0 119 33,-0.3 -1,-0.2 3,-0.2 -2,-0.1 -0.485 93.9 73.7 -99.5 62.7 2.1 -15.3 -4.8 37 37 A D H 45S+ 0 0 118 -2,-0.9 -1,-0.1 -3,-0.4 -2,-0.1 0.525 105.5 16.3-132.6 -65.7 -0.8 -16.8 -6.6 38 38 A I H <5S- 0 0 120 -4,-0.5 -2,-0.1 -3,-0.1 -3,-0.1 0.810 123.5 -78.6 -85.2 -33.3 -0.5 -16.8 -10.4 39 39 A G T <5 + 0 0 47 -4,-0.6 2,-1.6 1,-0.0 3,-0.3 0.542 65.0 163.3 134.6 45.8 3.2 -16.2 -10.4 40 40 A Y < + 0 0 23 -5,-1.8 -1,-0.0 1,-0.2 -2,-0.0 -0.552 13.3 150.9 -89.5 72.4 3.9 -12.5 -9.7 41 41 A D S S- 0 0 91 -2,-1.6 -1,-0.2 -5,-0.0 -6,-0.0 0.946 73.7 -80.4 -68.1 -48.6 7.6 -12.9 -8.8 42 42 A S S > S+ 0 0 30 -3,-0.3 4,-0.6 25,-0.1 25,-0.1 0.035 119.3 73.0 176.8 -48.3 8.5 -9.4 -10.0 43 43 A L H > S+ 0 0 114 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.873 100.1 52.4 -55.7 -39.2 9.0 -9.4 -13.8 44 44 A A H > S+ 0 0 42 1,-0.2 4,-0.6 -5,-0.2 -1,-0.2 0.944 119.3 33.3 -63.1 -49.0 5.3 -9.6 -14.2 45 45 A L H > S+ 0 0 13 1,-0.2 4,-1.5 2,-0.1 -1,-0.2 0.312 103.5 84.1 -89.8 8.5 4.6 -6.7 -11.9 46 46 A M H X S+ 0 0 89 -4,-0.6 4,-1.4 -3,-0.5 -2,-0.2 0.979 94.8 36.3 -73.4 -59.7 7.8 -4.9 -13.0 47 47 A E H X S+ 0 0 149 -4,-1.0 4,-2.0 1,-0.2 5,-0.3 0.879 117.1 55.5 -61.1 -38.5 6.6 -3.2 -16.2 48 48 A T H X S+ 0 0 33 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.920 108.8 46.2 -60.8 -45.2 3.2 -2.6 -14.5 49 49 A A H X S+ 0 0 16 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.756 109.1 59.5 -69.3 -24.4 4.8 -0.8 -11.6 50 50 A A H >X S+ 0 0 46 -4,-1.4 4,-1.0 2,-0.2 3,-0.5 0.988 110.5 35.9 -67.7 -61.4 7.0 1.2 -14.1 51 51 A R H 3X S+ 0 0 209 -4,-2.0 4,-2.0 1,-0.3 3,-0.5 0.866 118.4 53.5 -60.6 -36.6 4.2 2.9 -16.1 52 52 A L H 3X S+ 0 0 35 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.3 0.778 101.0 61.1 -69.4 -26.3 2.2 3.2 -12.9 53 53 A E H S+ 0 0 20 -4,-1.1 5,-1.5 -3,-0.5 4,-1.0 0.802 108.4 43.3 -70.3 -29.0 5.1 4.9 -11.2 54 54 A S H <5S+ 0 0 97 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.939 113.6 46.9 -80.7 -52.4 5.0 7.7 -13.8 55 55 A R H <5S+ 0 0 232 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.809 117.9 45.6 -59.5 -29.8 1.3 8.3 -13.9 56 56 A Y H <5S- 0 0 71 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.810 106.3-130.2 -82.8 -32.2 1.2 8.3 -10.1 57 57 A G T <5 + 0 0 58 -4,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.710 57.2 142.2 88.1 23.2 4.3 10.6 -9.8 58 58 A V < - 0 0 16 -5,-1.5 -1,-0.3 -6,-0.3 -2,-0.1 -0.545 55.1 -95.2 -94.3 162.1 6.1 8.3 -7.4 59 59 A S - 0 0 89 -2,-0.2 -1,-0.2 19,-0.1 -2,-0.1 0.210 45.5 -93.1 -59.4-169.6 9.8 7.6 -7.2 60 60 A I - 0 0 125 -6,-0.0 2,-0.9 5,-0.0 -1,-0.1 -0.730 41.9-174.9-114.8 82.5 11.4 4.6 -8.9 61 61 A P + 0 0 28 0, 0.0 17,-0.0 0, 0.0 -8,-0.0 -0.663 18.7 155.9 -81.6 106.0 11.6 1.7 -6.3 62 62 A D + 0 0 82 -2,-0.9 4,-0.3 3,-0.2 -16,-0.0 0.677 69.5 50.8-100.3 -24.4 13.4 -1.2 -7.9 63 63 A D S > S+ 0 0 136 3,-0.2 4,-1.4 2,-0.2 0, 0.0 0.984 121.3 25.3 -76.3 -71.3 14.6 -2.8 -4.7 64 64 A V T 4 S+ 0 0 64 1,-0.2 3,-0.1 2,-0.2 -2,-0.1 0.912 132.2 42.1 -60.8 -44.5 11.6 -3.2 -2.5 65 65 A A T >4 S+ 0 0 6 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.901 109.4 57.7 -70.1 -41.5 9.2 -3.2 -5.5 66 66 A G T 34 S+ 0 0 17 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.794 120.3 30.9 -59.4 -28.0 11.5 -5.5 -7.6 67 67 A R T 3< S+ 0 0 205 -4,-1.4 2,-0.7 -3,-0.1 -1,-0.3 -0.172 83.8 147.2-123.6 39.5 11.2 -8.0 -4.8 68 68 A V < + 0 0 4 -3,-1.7 -3,-0.1 1,-0.2 -4,-0.0 -0.673 8.7 161.1 -81.0 113.6 7.7 -7.2 -3.5 69 69 A D + 0 0 85 -2,-0.7 -34,-0.5 -33,-0.0 -33,-0.3 0.743 56.8 70.4-100.7 -32.6 6.1 -10.4 -2.3 70 70 A T > - 0 0 66 1,-0.1 4,-0.6 -35,-0.1 -37,-0.1 -0.608 66.7-151.5 -87.4 147.9 3.4 -8.9 -0.1 71 71 A P H >> S+ 0 0 3 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.926 95.5 50.1 -82.9 -49.4 0.4 -7.1 -1.7 72 72 A R H 3> S+ 0 0 138 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.766 104.6 62.9 -60.5 -24.7 -0.5 -4.6 1.1 73 73 A E H 3> S+ 0 0 94 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.869 96.8 56.7 -68.5 -36.1 3.2 -3.7 1.1 74 74 A L H < S+ 0 0 50 -4,-1.5 3,-0.7 -3,-0.3 -2,-0.2 0.978 111.0 39.2 -62.1 -57.7 3.1 11.0 1.7 84 84 A E H 3< S+ 0 0 179 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.2 61.3 -61.8 -32.4 6.6 12.5 2.1 85 85 A A H 3< 0 0 82 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.841 360.0 360.0 -63.1 -32.9 6.2 14.1 -1.3 86 86 A A << 0 0 127 -4,-1.5 -2,-0.2 -3,-0.7 -3,-0.2 0.809 360.0 360.0-107.9 360.0 3.3 16.0 0.0