==== 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 2KGA . 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) . 5405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 62.8 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 . 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 . 38 44.2 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 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 0 202 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-175.5 9.6 -14.8 0.6 2 2 A A + 0 0 107 2,-0.2 2,-0.3 0, 0.0 3,-0.1 0.450 360.0 67.4 73.8 5.5 13.2 -13.8 1.7 3 3 A T S S- 0 0 101 1,-0.4 76,-0.1 0, 0.0 80,-0.0 -0.825 104.0 -38.3-160.5 106.5 13.2 -11.5 -1.3 4 4 A L S S- 0 0 84 -2,-0.3 2,-0.5 75,-0.1 -1,-0.4 0.186 83.0 -56.3 70.6 178.1 11.1 -8.4 -1.8 5 5 A L - 0 0 9 70,-0.3 2,-0.2 -3,-0.1 74,-0.1 -0.799 57.9-153.4 -92.3 131.2 7.5 -7.6 -0.9 6 6 A T > - 0 0 60 -2,-0.5 4,-2.6 1,-0.1 5,-0.3 -0.493 29.4-101.4-101.2 175.0 5.0 -10.1 -2.3 7 7 A T H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.955 123.5 44.5 -54.9 -55.1 1.4 -9.9 -3.3 8 8 A D H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 112.1 52.9 -59.2 -40.5 0.3 -11.7 -0.1 9 9 A D H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.958 113.4 41.0 -65.1 -49.5 2.7 -9.7 2.1 10 10 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.892 108.9 61.8 -65.3 -41.6 1.4 -6.3 0.9 11 11 A R H X S+ 0 0 73 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.879 101.6 53.0 -50.3 -45.0 -2.2 -7.6 0.9 12 12 A R H X S+ 0 0 123 -4,-1.8 4,-1.3 -3,-0.3 -1,-0.2 0.948 110.4 45.1 -57.5 -52.8 -2.0 -8.1 4.7 13 13 A A H X S+ 0 0 1 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.839 114.7 49.5 -64.3 -36.0 -0.8 -4.6 5.5 14 14 A L H >X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-1.1 0.952 110.1 48.2 -66.6 -51.0 -3.4 -3.1 3.2 15 15 A V H 3< S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.695 103.2 65.6 -67.5 -16.6 -6.3 -5.1 4.6 16 16 A E H 3< S+ 0 0 94 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.856 110.9 34.9 -70.0 -35.3 -5.0 -4.1 8.1 17 17 A S H << S+ 0 0 29 -3,-1.1 2,-1.5 -4,-0.9 -2,-0.2 0.960 111.8 60.1 -81.4 -59.9 -5.8 -0.5 7.3 18 18 A A S < S+ 0 0 9 -4,-2.4 2,-0.4 2,-0.1 -1,-0.2 -0.541 70.4 134.1 -79.2 89.4 -9.0 -0.9 5.2 19 19 A G + 0 0 35 -2,-1.5 -3,-0.0 -3,-0.1 3,-0.0 -0.989 63.1 28.2-136.5 139.2 -11.4 -2.6 7.5 20 20 A E S S+ 0 0 188 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.587 111.1 77.2 79.2 15.5 -15.0 -1.6 8.0 21 21 A T S S+ 0 0 77 -3,-0.0 3,-0.2 3,-0.0 2,-0.2 -0.558 72.4 138.9-147.4 61.6 -14.7 -0.4 4.5 22 22 A D + 0 0 104 1,-0.1 3,-0.1 3,-0.0 -3,-0.1 -0.524 17.9 90.3-107.8 175.6 -15.0 -3.7 2.8 23 23 A G S S+ 0 0 80 1,-0.4 -1,-0.1 -2,-0.2 16,-0.1 0.203 70.3 97.6 118.5 -13.4 -16.7 -5.0 -0.3 24 24 A T S S- 0 0 61 14,-0.2 -1,-0.4 -3,-0.2 3,-0.4 -0.159 89.9 -98.3 -91.4-168.8 -13.9 -4.4 -2.7 25 25 A D S S+ 0 0 82 1,-0.2 4,-0.3 4,-0.1 8,-0.1 -0.086 79.9 123.4-105.5 35.3 -11.3 -6.9 -4.0 26 26 A L S S+ 0 0 5 1,-0.3 2,-1.5 12,-0.2 4,-0.2 0.895 70.2 59.2 -61.7 -39.4 -8.6 -5.7 -1.6 27 27 A S S S+ 0 0 72 -3,-0.4 2,-0.3 2,-0.1 -1,-0.3 -0.727 119.0 18.4 -89.6 87.7 -8.4 -9.2 -0.4 28 28 A G S S- 0 0 23 -2,-1.5 2,-0.6 -21,-0.1 -2,-0.1 -0.807 125.7 -1.9 157.8-108.1 -7.4 -10.7 -3.7 29 29 A D + 0 0 86 -4,-0.3 -2,-0.1 -2,-0.3 -4,-0.1 -0.879 62.8 142.4-126.9 98.8 -6.0 -8.8 -6.7 30 30 A F > + 0 0 0 -2,-0.6 3,-1.2 -4,-0.2 42,-0.2 0.408 35.1 110.2-113.6 -4.5 -5.8 -5.1 -6.2 31 31 A L T 3 S+ 0 0 38 1,-0.3 41,-1.5 40,-0.2 42,-0.2 0.791 91.3 26.3 -50.0 -43.7 -2.5 -4.4 -8.0 32 32 A D T 3 S+ 0 0 82 39,-0.1 -1,-0.3 38,-0.1 2,-0.2 0.386 100.9 103.3-104.3 3.6 -3.9 -2.4 -11.0 33 33 A L S < S- 0 0 45 -3,-1.2 2,-0.2 -8,-0.1 39,-0.2 -0.584 78.4-113.4 -83.9 147.2 -7.0 -1.2 -9.1 34 34 A R >> - 0 0 120 -2,-0.2 4,-1.5 36,-0.2 3,-0.6 -0.584 13.5-126.5 -83.8 144.1 -6.9 2.3 -8.0 35 35 A F T 34>S+ 0 0 8 34,-2.3 5,-3.1 1,-0.2 3,-0.4 0.894 113.1 60.5 -51.4 -38.2 -6.8 3.1 -4.3 36 36 A E T >45S+ 0 0 165 33,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.885 108.3 40.9 -55.0 -43.7 -9.9 5.2 -5.0 37 37 A D T <45S+ 0 0 81 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.637 109.2 59.5 -87.8 -12.6 -11.9 2.2 -6.3 38 38 A I T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -14,-0.2 0.347 125.0 -96.1 -96.7 10.8 -10.7 -0.1 -3.6 39 39 A G T < 5S+ 0 0 29 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.2 0.621 77.1 142.2 90.8 16.4 -12.1 2.1 -0.8 40 40 A Y < - 0 0 9 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.3 -0.799 33.5-162.0 -98.8 123.8 -8.9 4.0 0.0 41 41 A D > - 0 0 116 -2,-0.6 4,-1.9 1,-0.1 3,-0.2 -0.705 35.5-111.1 -90.3 153.1 -8.9 7.6 0.9 42 42 A S H > S+ 0 0 102 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.824 119.0 57.0 -52.8 -35.1 -5.7 9.5 0.7 43 43 A L H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.956 108.2 45.3 -63.2 -48.6 -5.7 9.8 4.5 44 44 A A H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.793 108.4 59.8 -66.8 -27.0 -5.8 6.0 4.9 45 45 A L H X S+ 0 0 28 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.931 104.9 46.7 -66.6 -43.5 -3.2 5.7 2.2 46 46 A M H X S+ 0 0 117 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.875 110.6 55.0 -66.9 -34.0 -0.7 7.8 4.3 47 47 A E H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.938 111.8 42.6 -61.8 -48.1 -1.7 5.6 7.4 48 48 A T H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.951 114.2 51.1 -61.7 -51.4 -0.8 2.5 5.5 49 49 A A H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.896 110.0 49.9 -55.1 -45.7 2.4 4.1 4.0 50 50 A A H X S+ 0 0 45 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.907 110.6 49.4 -61.1 -43.7 3.6 5.2 7.4 51 51 A R H X S+ 0 0 83 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.869 109.1 53.6 -64.6 -36.6 3.0 1.7 8.9 52 52 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 6,-0.5 0.924 108.8 48.6 -63.2 -45.0 4.9 0.2 6.0 53 53 A E H X>S+ 0 0 68 -4,-2.3 5,-1.0 2,-0.2 4,-0.9 0.927 116.9 43.3 -59.4 -46.6 7.9 2.5 6.7 54 54 A S H <5S+ 0 0 99 -4,-2.4 -2,-0.2 3,-0.2 3,-0.2 0.970 120.1 39.1 -62.8 -56.3 7.7 1.5 10.3 55 55 A R H <5S+ 0 0 99 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.912 124.5 33.8 -66.5 -49.3 7.2 -2.2 9.9 56 56 A Y H <5S- 0 0 50 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.521 104.9-118.9 -92.9 -1.7 9.5 -3.0 7.0 57 57 A G T <5 + 0 0 53 -4,-0.9 2,-0.2 -5,-0.3 -3,-0.2 0.920 66.4 138.6 66.7 43.5 12.1 -0.4 7.8 58 58 A V < - 0 0 9 -5,-1.0 2,-0.4 -6,-0.5 -1,-0.2 -0.588 48.4-138.5-111.2 173.2 11.7 1.5 4.6 59 59 A S - 0 0 96 -2,-0.2 -9,-0.1 18,-0.1 -5,-0.0 -0.935 14.1-149.3-137.7 113.4 11.6 5.1 3.8 60 60 A I - 0 0 21 -2,-0.4 2,-0.2 -11,-0.1 18,-0.0 -0.724 16.9-130.2 -89.6 120.6 9.0 6.3 1.3 61 61 A P >> - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.483 17.8-123.6 -66.1 142.6 10.1 9.4 -0.8 62 62 A D H 3> S+ 0 0 142 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.852 111.4 53.0 -57.4 -36.7 7.5 12.2 -0.8 63 63 A D H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.808 110.9 46.8 -72.0 -29.1 7.3 12.1 -4.6 64 64 A V H X> S+ 0 0 29 -3,-0.8 3,-1.7 1,-0.2 4,-0.9 0.879 102.9 62.3 -80.3 -36.8 6.6 8.5 -4.6 65 65 A A H 3< S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.793 109.2 43.0 -59.8 -27.3 4.0 8.7 -1.9 66 66 A G T 3< S+ 0 0 75 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.394 108.2 58.4-100.7 2.1 1.9 10.9 -4.2 67 67 A R T <4 S+ 0 0 144 -3,-1.7 2,-1.5 -4,-0.1 3,-0.4 0.477 78.2 98.5-104.3 -8.5 2.4 8.8 -7.3 68 68 A V < + 0 0 8 -4,-0.9 -1,-0.1 1,-0.2 -33,-0.1 -0.650 28.9 138.8 -87.6 83.3 1.0 5.7 -6.0 69 69 A D S S+ 0 0 74 -2,-1.5 -34,-2.3 1,-0.2 -33,-0.3 0.600 74.3 47.9 -91.7 -21.1 -2.5 5.6 -7.3 70 70 A T S >> S- 0 0 7 -3,-0.4 3,-1.6 -36,-0.2 4,-0.9 -0.958 87.5-126.3-120.2 139.4 -2.1 1.9 -7.9 71 71 A P H 3> S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.723 106.8 74.6 -54.7 -24.3 -0.7 -0.6 -5.4 72 72 A R H 3> S+ 0 0 132 -41,-1.5 4,-2.7 1,-0.2 5,-0.2 0.916 95.4 48.3 -52.0 -45.4 1.8 -1.6 -8.1 73 73 A E H <> S+ 0 0 40 -3,-1.6 4,-2.1 -42,-0.2 -1,-0.2 0.864 112.6 48.7 -65.0 -37.2 3.7 1.7 -7.5 74 74 A L H X S+ 0 0 5 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.943 110.7 49.7 -67.7 -49.2 3.6 1.0 -3.7 75 75 A L H X S+ 0 0 30 -4,-3.2 4,-2.9 1,-0.2 -70,-0.3 0.926 111.2 50.2 -54.5 -49.6 4.9 -2.5 -4.3 76 76 A D H X S+ 0 0 109 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.888 110.0 50.4 -57.7 -43.2 7.7 -1.2 -6.5 77 77 A L H X S+ 0 0 20 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.936 112.2 46.2 -64.0 -44.9 8.7 1.4 -3.9 78 78 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.934 113.8 48.6 -65.4 -43.7 8.9 -1.2 -1.1 79 79 A N H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.883 113.6 47.8 -62.7 -38.2 10.8 -3.6 -3.3 80 80 A G H X S+ 0 0 39 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.915 113.9 46.7 -68.0 -40.2 13.2 -0.8 -4.3 81 81 A A H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.880 111.7 50.6 -70.2 -39.5 13.5 0.3 -0.7 82 82 A L H < S+ 0 0 50 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.915 111.9 47.8 -63.8 -43.8 14.1 -3.3 0.5 83 83 A A H < S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.840 115.0 46.3 -64.5 -34.5 16.8 -3.8 -2.1 84 84 A E H < S+ 0 0 162 -4,-1.7 -2,-0.2 -5,-0.2 2,-0.2 0.853 99.7 83.0 -76.3 -36.3 18.3 -0.5 -1.1 85 85 A A < 0 0 55 -4,-2.5 -27,-0.0 1,-0.2 -28,-0.0 -0.485 360.0 360.0 -74.2 135.6 18.2 -1.3 2.6 86 86 A A 0 0 168 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.399 360.0 360.0-136.5 360.0 20.9 -3.4 4.0