==== 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 1AF8 . 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) . 6270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 53.5 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 . 4 4.7 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 . 34 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 0 0 1 1 0 0 0 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 0 229 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.5 1.2 6.7 9.3 2 2 A A + 0 0 39 1,-0.1 78,-0.1 3,-0.0 77,-0.1 -0.988 360.0 164.7-142.4 150.9 -0.2 7.1 5.9 3 3 A T + 0 0 138 -2,-0.3 -1,-0.1 76,-0.1 3,-0.0 -0.016 49.9 103.8-156.0 35.2 -3.7 7.6 4.4 4 4 A L S S+ 0 0 89 2,-0.0 2,-0.1 75,-0.0 75,-0.1 0.952 80.9 32.7 -84.5 -64.2 -3.1 8.7 0.8 5 5 A L S S- 0 0 28 70,-0.1 2,-0.3 71,-0.0 3,-0.0 -0.408 76.2-141.3 -89.9 169.1 -3.8 5.6 -1.3 6 6 A T > - 0 0 64 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.881 24.0-113.5-130.5 163.3 -6.3 2.9 -0.5 7 7 A T H > S+ 0 0 48 -2,-0.3 4,-1.6 1,-0.3 3,-0.2 0.918 119.6 53.9 -59.5 -44.3 -6.6 -0.9 -0.8 8 8 A D H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.823 103.2 60.3 -60.0 -29.6 -9.3 -0.6 -3.4 9 9 A D H > S+ 0 0 48 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.939 103.0 47.8 -63.8 -48.1 -6.9 1.7 -5.3 10 10 A L H X S+ 0 0 10 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.847 107.2 60.3 -61.6 -32.7 -4.3 -1.1 -5.6 11 11 A R H X S+ 0 0 111 -4,-1.6 4,-1.4 2,-0.2 3,-0.4 0.945 105.3 45.3 -59.5 -51.3 -7.1 -3.4 -6.8 12 12 A R H X S+ 0 0 188 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.908 109.8 55.0 -60.1 -43.6 -7.9 -1.2 -9.8 13 13 A A H < S+ 0 0 9 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.817 111.4 45.7 -60.1 -30.4 -4.2 -0.8 -10.7 14 14 A L H >X S+ 0 0 24 -4,-1.5 4,-1.1 -3,-0.4 3,-0.6 0.708 104.6 61.6 -85.3 -21.7 -4.0 -4.6 -10.8 15 15 A V H 3< S+ 0 0 44 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.795 88.2 71.9 -73.8 -27.9 -7.2 -5.0 -12.8 16 16 A E T 3< S+ 0 0 134 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.824 100.9 46.1 -56.3 -31.1 -5.6 -3.1 -15.7 17 17 A C T <4 S+ 0 0 64 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.2 0.890 132.6 15.7 -78.5 -41.5 -3.4 -6.1 -16.3 18 18 A A < + 0 0 43 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 -0.749 65.8 162.9-137.3 88.2 -6.3 -8.6 -16.0 19 19 A G + 0 0 50 -3,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.971 68.3 55.3 -68.3 -55.5 -9.8 -7.0 -16.3 20 20 A E + 0 0 167 -5,-0.1 2,-0.2 2,-0.0 -1,-0.0 -0.616 65.9 140.1 -83.0 138.1 -11.7 -10.2 -17.0 21 21 A T - 0 0 76 -2,-0.3 3,-0.1 3,-0.0 -3,-0.0 -0.657 35.4-166.6-179.3 118.4 -11.3 -13.1 -14.6 22 22 A D S S+ 0 0 166 -2,-0.2 2,-0.2 1,-0.2 -2,-0.0 -0.037 79.3 75.5 -99.5 30.5 -13.8 -15.7 -13.2 23 23 A G + 0 0 59 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.659 61.8 107.8-144.2 83.7 -11.3 -16.8 -10.5 24 24 A T - 0 0 64 -2,-0.2 2,-1.5 -3,-0.1 6,-0.1 -0.905 56.3-138.8-161.4 128.8 -10.9 -14.3 -7.6 25 25 A D > + 0 0 137 -2,-0.3 4,-0.9 1,-0.1 3,-0.3 -0.609 38.9 154.7 -90.3 78.2 -12.1 -14.4 -4.0 26 26 A L T 4 + 0 0 90 -2,-1.5 -1,-0.1 1,-0.2 4,-0.1 -0.162 51.8 85.9 -96.6 39.5 -13.2 -10.8 -3.7 27 27 A S T 4 S+ 0 0 122 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 -0.096 110.0 1.0-128.7 34.2 -15.6 -11.6 -0.8 28 28 A G T 4 S- 0 0 72 -3,-0.3 2,-0.3 1,-0.1 -2,-0.1 0.098 126.2 -21.8 177.1 -40.6 -13.3 -11.4 2.1 29 29 A D < - 0 0 61 -4,-0.9 -2,-0.3 1,-0.1 -4,-0.1 -0.957 30.6-163.5-178.6 164.2 -9.8 -10.5 1.0 30 30 A F S S+ 0 0 29 -2,-0.3 -4,-0.1 -4,-0.1 -1,-0.1 0.115 82.1 66.6-148.0 20.3 -7.4 -10.4 -2.0 31 31 A L S > S+ 0 0 9 3,-0.1 3,-0.7 2,-0.1 4,-0.3 0.635 79.5 74.1-116.3 -26.3 -4.0 -9.9 -0.4 32 32 A D T 3 S+ 0 0 136 1,-0.3 2,-0.1 2,-0.1 4,-0.0 0.853 123.0 8.3 -57.0 -33.8 -3.4 -13.1 1.5 33 33 A L T 3 S+ 0 0 94 3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.589 92.5 111.5-150.7 80.3 -2.8 -14.8 -1.8 34 34 A R S <> S+ 0 0 50 -3,-0.7 4,-1.4 -2,-0.1 -3,-0.1 0.721 87.7 28.7-116.3 -53.4 -2.6 -12.4 -4.8 35 35 A F T 4>S+ 0 0 12 -4,-0.3 5,-1.2 2,-0.2 35,-0.1 0.820 127.8 45.5 -79.8 -32.3 1.0 -12.4 -6.0 36 36 A E T 45S+ 0 0 157 3,-0.1 -1,-0.1 1,-0.1 -3,-0.1 0.875 110.8 53.6 -77.2 -39.0 1.6 -16.0 -4.9 37 37 A D T 45S+ 0 0 119 2,-0.1 -2,-0.2 3,-0.1 -3,-0.1 0.991 111.9 43.5 -58.1 -64.5 -1.7 -17.2 -6.3 38 38 A I T <5S- 0 0 60 -4,-1.4 2,-1.9 1,-0.1 -4,-0.0 -0.330 104.5 -97.8 -77.5 163.8 -1.1 -15.9 -9.8 39 39 A G T 5S+ 0 0 68 1,-0.1 2,-0.5 -2,-0.1 -3,-0.1 -0.511 71.7 137.3 -84.5 73.0 2.2 -16.3 -11.5 40 40 A Y < - 0 0 60 -2,-1.9 -1,-0.1 -5,-1.2 -2,-0.1 -0.659 29.8-177.3-119.4 75.2 3.6 -12.8 -10.7 41 41 A D >> - 0 0 87 -2,-0.5 4,-2.2 1,-0.1 3,-1.1 -0.227 43.4-105.1 -67.2 161.6 7.2 -13.3 -9.6 42 42 A S T 34 S+ 0 0 23 1,-0.3 26,-0.2 2,-0.2 4,-0.2 0.660 121.4 57.3 -63.0 -15.0 9.2 -10.3 -8.5 43 43 A L T 34 S+ 0 0 144 2,-0.1 4,-0.4 3,-0.1 -1,-0.3 0.722 111.6 39.0 -88.0 -23.5 11.0 -10.4 -11.8 44 44 A A T <> S+ 0 0 49 -3,-1.1 4,-0.9 2,-0.1 3,-0.3 0.896 117.0 45.4 -90.3 -50.3 7.8 -10.1 -14.0 45 45 A L H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.553 96.1 84.5 -70.9 -7.5 5.8 -7.6 -12.0 46 46 A M H >> S+ 0 0 70 -5,-0.3 4,-1.6 2,-0.2 3,-0.6 0.991 97.1 32.7 -58.5 -65.9 8.9 -5.5 -11.6 47 47 A E H 3> S+ 0 0 115 -4,-0.4 4,-1.6 -3,-0.3 5,-0.3 0.847 113.3 64.9 -60.6 -34.0 8.7 -3.6 -14.9 48 48 A T H 3X S+ 0 0 57 -4,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.890 107.6 40.2 -56.0 -41.2 4.9 -3.7 -14.7 49 49 A A H + 0 0 28 0, 0.0 4,-0.8 0, 0.0 5,-0.1 -0.543 21.6 145.5 -84.2 77.1 10.9 2.8 -6.1 62 62 A D T 4 + 0 0 54 -2,-1.7 4,-0.5 3,-0.2 -12,-0.1 0.671 66.0 56.8 -85.3 -19.3 11.8 -0.1 -8.4 63 63 A D T > S+ 0 0 148 -3,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.986 116.7 27.7 -75.0 -65.9 14.2 -1.6 -5.8 64 64 A V T 4 S+ 0 0 75 1,-0.2 -2,-0.1 2,-0.2 3,-0.1 0.917 130.3 42.6 -63.1 -44.2 11.9 -2.2 -2.8 65 65 A A T >< S+ 0 0 9 -4,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.818 108.0 61.3 -71.9 -30.8 8.8 -2.5 -5.0 66 66 A G T 34 S+ 0 0 4 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.6 48.4 -63.8 -35.2 10.7 -4.6 -7.5 67 67 A R T 3< S+ 0 0 203 -4,-1.5 2,-0.6 -3,-0.1 -1,-0.3 -0.157 81.0 142.1 -98.0 39.3 11.3 -7.2 -4.8 68 68 A V < + 0 0 1 -3,-1.3 -23,-0.1 -26,-0.2 -3,-0.1 -0.721 19.7 169.3 -85.6 117.9 7.6 -7.2 -3.7 69 69 A D + 0 0 105 -2,-0.6 -1,-0.2 -27,-0.0 -34,-0.1 0.806 65.1 50.4 -94.6 -37.0 6.5 -10.8 -2.8 70 70 A T S > S- 0 0 68 1,-0.1 4,-0.6 -35,-0.1 -38,-0.1 -0.641 75.5-134.4-100.8 160.0 3.2 -9.8 -1.2 71 71 A P H >> S+ 0 0 3 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.914 102.5 59.8 -78.4 -45.4 0.4 -7.6 -2.6 72 72 A R H 3> S+ 0 0 127 -41,-0.3 4,-2.0 1,-0.3 5,-0.2 0.775 98.0 64.8 -53.9 -26.1 -0.3 -5.5 0.4 73 73 A E H 3> S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.919 96.4 53.8 -64.1 -44.9 3.4 -4.4 0.2 74 74 A L H X S+ 0 0 9 -4,-2.0 4,-1.8 -5,-0.3 3,-0.8 0.970 107.9 39.7 -56.5 -59.8 1.5 5.3 -0.3 80 80 A G H 3X S+ 0 0 32 -4,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.780 111.5 60.8 -62.6 -26.8 4.6 6.2 1.7 81 81 A A H 3X S+ 0 0 16 -4,-1.7 4,-1.1 1,-0.2 -22,-0.4 0.811 106.2 45.9 -70.5 -29.8 6.2 7.3 -1.5 82 82 A L H