==== 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 2KGC . 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) . 5844.0 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 . 1 1.2 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 . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.0 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 . 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 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 2,-0.3 0, 0.0 85,-0.0 0.000 360.0 360.0 360.0 130.7 -18.2 11.5 1.4 2 2 A A - 0 0 83 0, 0.0 2,-0.9 0, 0.0 54,-0.0 -0.971 360.0 -89.1-151.6 163.3 -15.1 9.7 2.9 3 3 A T - 0 0 109 -2,-0.3 2,-0.1 52,-0.1 3,-0.0 -0.670 48.0-159.2 -81.3 106.2 -11.3 10.0 3.1 4 4 A L - 0 0 89 -2,-0.9 2,-0.5 1,-0.1 75,-0.1 -0.343 25.8 -94.8 -81.2 166.8 -10.0 8.1 0.1 5 5 A L - 0 0 4 70,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.722 46.7-166.7 -85.2 123.8 -6.5 6.7 -0.3 6 6 A T > - 0 0 67 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.526 33.1-106.4-106.2 173.5 -4.2 9.1 -2.2 7 7 A T H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.972 121.1 41.1 -59.2 -56.8 -0.8 8.8 -3.9 8 8 A D H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 113.4 54.5 -62.9 -38.7 1.0 10.7 -1.2 9 9 A D H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 111.7 44.3 -61.3 -44.9 -1.0 9.0 1.6 10 10 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.934 112.2 53.1 -62.7 -46.5 0.1 5.6 0.2 11 11 A R H X S+ 0 0 81 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.885 112.2 45.5 -55.5 -41.9 3.7 6.9 -0.2 12 12 A R H X S+ 0 0 131 -4,-2.7 4,-3.6 2,-0.2 5,-0.3 0.924 107.4 57.5 -68.2 -43.5 3.6 8.1 3.5 13 13 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.866 104.9 50.5 -60.3 -41.4 2.1 4.8 4.8 14 14 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.4 0.931 116.6 41.8 -59.8 -45.6 4.9 2.7 3.4 15 15 A V H X S+ 0 0 42 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.936 110.8 55.1 -67.7 -48.0 7.5 4.9 5.0 16 16 A E H < S+ 0 0 97 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 114.4 42.6 -57.7 -30.0 5.6 5.3 8.3 17 17 A S H < S+ 0 0 16 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.949 128.2 22.1 -81.6 -54.6 5.6 1.6 8.6 18 18 A A H < S- 0 0 26 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.984 73.1-155.1 -81.1 -63.7 9.1 0.5 7.5 19 19 A G < + 0 0 42 -4,-0.7 2,-0.7 -5,-0.4 -4,-0.1 0.386 38.9 149.5 95.6 -2.7 11.3 3.6 8.0 20 20 A E + 0 0 93 1,-0.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.544 7.9 159.3 -66.1 108.4 13.7 2.2 5.4 21 21 A T + 0 0 108 -2,-0.7 2,-0.5 -3,-0.1 -1,-0.1 -0.056 38.0 100.1-125.6 31.9 15.1 5.4 3.9 22 22 A D S S- 0 0 118 1,-0.0 2,-0.9 3,-0.0 3,-0.1 -0.972 97.3 -16.1-123.2 120.8 18.3 4.1 2.3 23 23 A G S S+ 0 0 81 -2,-0.5 2,-0.6 1,-0.1 16,-0.1 -0.143 112.7 91.8 87.7 -42.8 18.6 3.3 -1.4 24 24 A T - 0 0 25 -2,-0.9 2,-0.6 15,-0.1 -1,-0.1 -0.777 53.8-173.6 -93.9 119.1 14.9 3.3 -2.0 25 25 A D - 0 0 124 -2,-0.6 3,-0.4 1,-0.1 4,-0.1 -0.943 15.9-178.8-114.7 114.4 13.3 6.6 -3.1 26 26 A L + 0 0 11 -2,-0.6 4,-0.2 1,-0.2 -1,-0.1 0.216 64.0 100.0 -89.7 14.7 9.6 6.8 -3.4 27 27 A S S S+ 0 0 104 2,-0.1 -1,-0.2 3,-0.1 2,-0.1 0.270 90.9 26.3 -83.6 11.5 10.0 10.4 -4.5 28 28 A G S S- 0 0 45 -3,-0.4 2,-0.7 0, 0.0 -2,-0.1 -0.005 121.5 -15.0-134.6-117.5 9.5 9.3 -8.1 29 29 A D + 0 0 134 1,-0.2 -2,-0.1 -4,-0.1 -4,-0.1 -0.883 65.9 136.0-108.2 108.7 7.8 6.3 -9.7 30 30 A F > + 0 0 15 -2,-0.7 3,-0.8 -4,-0.2 42,-0.2 0.631 56.0 75.1-121.2 -30.9 6.9 3.6 -7.3 31 31 A L T 3 S+ 0 0 38 1,-0.3 41,-1.6 40,-0.2 42,-0.3 0.790 100.8 46.7 -57.2 -30.4 3.3 2.6 -8.2 32 32 A D T 3 S+ 0 0 79 39,-0.1 -1,-0.3 38,-0.1 2,-0.2 0.655 100.5 80.3 -90.6 -17.5 4.6 0.8 -11.3 33 33 A L S < S- 0 0 66 -3,-0.8 39,-0.2 1,-0.1 2,-0.1 -0.604 87.4-110.1 -86.7 150.3 7.4 -1.0 -9.4 34 34 A R >> - 0 0 85 -2,-0.2 4,-1.8 36,-0.2 3,-0.7 -0.344 30.1-106.8 -73.9 161.9 6.6 -4.1 -7.4 35 35 A F T 34>S+ 0 0 18 34,-1.5 5,-2.7 1,-0.3 3,-0.2 0.914 124.1 48.9 -54.8 -46.6 6.8 -4.0 -3.6 36 36 A E T >45S+ 0 0 130 33,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.750 107.4 57.2 -65.5 -22.3 10.0 -6.0 -3.7 37 37 A D T <45S+ 0 0 75 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 104.6 49.8 -79.4 -32.9 11.4 -3.6 -6.3 38 38 A I T 3<5S- 0 0 7 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.231 125.6-104.8 -88.9 15.0 10.9 -0.6 -4.1 39 39 A G T < 5S+ 0 0 41 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.804 72.1 144.6 72.5 32.2 12.7 -2.5 -1.4 40 40 A Y < - 0 0 9 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.914 42.1-138.2-109.3 118.9 9.7 -3.4 0.8 41 41 A D > - 0 0 114 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.355 22.1-115.9 -69.1 150.8 9.7 -6.8 2.5 42 42 A S H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 116.6 48.4 -52.9 -45.1 6.5 -8.9 2.6 43 43 A L H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.947 113.3 45.4 -64.0 -49.4 6.3 -8.6 6.4 44 44 A A H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 111.6 56.3 -63.0 -31.4 6.8 -4.8 6.3 45 45 A L H X S+ 0 0 36 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 106.8 46.1 -65.6 -46.6 4.3 -4.7 3.5 46 46 A M H X S+ 0 0 120 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.790 109.1 56.9 -71.1 -25.3 1.6 -6.4 5.5 47 47 A E H X S+ 0 0 84 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.901 105.5 51.2 -64.5 -41.5 2.4 -4.1 8.4 48 48 A T H X S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.876 103.5 59.0 -61.1 -39.9 1.7 -1.2 6.0 49 49 A A H X S+ 0 0 22 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.897 101.3 54.1 -56.7 -42.1 -1.6 -2.8 5.2 50 50 A A H X S+ 0 0 40 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.834 105.2 54.8 -62.2 -32.9 -2.6 -2.6 8.8 51 51 A R H X S+ 0 0 105 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.2 0.881 106.7 50.4 -68.2 -39.1 -1.9 1.1 8.7 52 52 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 3,-0.5 0.943 111.4 47.7 -62.5 -49.0 -4.2 1.5 5.7 53 53 A E H X S+ 0 0 54 -4,-2.3 4,-1.6 1,-0.2 5,-0.4 0.911 111.6 50.8 -58.6 -43.8 -7.0 -0.3 7.5 54 54 A S H < S+ 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.748 116.3 41.5 -67.2 -25.5 -6.4 1.7 10.7 55 55 A R H < S+ 0 0 101 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.904 125.9 28.0 -89.9 -47.8 -6.6 5.0 8.7 56 56 A Y H < S- 0 0 29 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.505 102.1-120.1 -96.7 -6.2 -9.4 4.5 6.3 57 57 A G S < S+ 0 0 69 -4,-1.6 -4,-0.2 -5,-0.4 -3,-0.2 0.758 70.9 128.7 74.1 24.8 -11.4 2.1 8.4 58 58 A V - 0 0 33 -6,-0.4 2,-0.3 -5,-0.4 -1,-0.2 -0.230 48.3-141.9 -98.0-171.3 -11.1 -0.6 5.7 59 59 A S - 0 0 95 -2,-0.1 -9,-0.1 -3,-0.1 -10,-0.0 -0.921 9.1-137.0-157.7 132.2 -10.0 -4.2 5.8 60 60 A I - 0 0 35 -2,-0.3 5,-0.0 -11,-0.1 -7,-0.0 -0.813 26.4-124.8 -97.6 120.9 -8.0 -6.2 3.3 61 61 A P > - 0 0 81 0, 0.0 4,-1.4 0, 0.0 -1,-0.0 -0.205 18.3-117.3 -63.2 154.7 -9.3 -9.8 2.5 62 62 A D H > S+ 0 0 138 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.934 105.5 38.2 -58.4 -57.0 -7.0 -12.8 2.9 63 63 A D H 4 S+ 0 0 131 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.881 115.7 49.6 -72.0 -40.0 -6.9 -14.2 -0.7 64 64 A V H >4 S+ 0 0 41 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.779 100.3 67.4 -73.3 -23.8 -6.8 -10.9 -2.6 65 65 A A H >< S+ 0 0 48 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.893 104.9 41.9 -61.9 -40.2 -4.0 -9.6 -0.4 66 66 A G T 3< S+ 0 0 72 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.421 104.3 68.5 -88.2 1.3 -1.6 -12.2 -1.8 67 67 A R T < S+ 0 0 207 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.417 83.0 89.2-100.7 0.4 -2.8 -11.7 -5.3 68 68 A V < + 0 0 38 -3,-0.7 -3,-0.0 -4,-0.3 0, 0.0 -0.442 41.8 171.6 -91.3 172.3 -1.4 -8.2 -5.7 69 69 A D + 0 0 82 1,-0.5 -34,-1.5 -2,-0.1 -33,-0.2 0.465 61.0 45.2-147.7 -47.9 2.0 -7.3 -7.0 70 70 A T S > S- 0 0 16 -36,-0.2 4,-1.4 1,-0.1 -1,-0.5 -0.829 75.6-122.7-110.6 149.7 2.3 -3.5 -7.6 71 71 A P H > S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.824 109.2 64.3 -53.0 -37.1 1.2 -0.6 -5.3 72 72 A R H > S+ 0 0 121 -41,-1.6 4,-3.2 1,-0.2 5,-0.2 0.936 102.9 45.7 -54.9 -50.4 -1.0 0.8 -8.1 73 73 A E H > S+ 0 0 82 -3,-0.4 4,-2.4 -42,-0.3 -1,-0.2 0.841 112.5 52.0 -64.7 -34.3 -3.2 -2.3 -8.1 74 74 A L H X S+ 0 0 18 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.944 112.5 45.2 -64.9 -48.0 -3.4 -2.2 -4.3 75 75 A L H X S+ 0 0 22 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.945 114.0 49.2 -57.9 -50.4 -4.4 1.5 -4.4 76 76 A D H X S+ 0 0 110 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.889 110.2 52.2 -57.7 -42.4 -6.9 0.8 -7.2 77 77 A L H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.947 113.7 40.4 -61.4 -52.0 -8.4 -2.1 -5.2 78 78 A I H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.863 115.8 51.9 -70.5 -34.8 -9.0 -0.2 -2.0 79 79 A N H X S+ 0 0 53 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.942 112.6 45.7 -62.4 -47.0 -10.2 2.9 -4.0 80 80 A G H X S+ 0 0 35 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.852 110.5 53.5 -65.2 -35.0 -12.6 0.7 -5.9 81 81 A A H < S+ 0 0 51 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.849 110.3 47.1 -69.2 -34.5 -13.8 -1.0 -2.7 82 82 A L H >< S+ 0 0 36 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.829 105.1 60.7 -72.4 -33.2 -14.5 2.4 -1.2 83 83 A A H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 96.4 61.2 -67.0 -19.8 -16.3 3.4 -4.3 84 84 A E T 3< S+ 0 0 170 -4,-0.7 2,-0.4 -3,-0.3 -1,-0.3 0.487 93.9 83.0 -84.5 -3.3 -18.7 0.5 -3.7 85 85 A A < 0 0 69 -3,-1.7 -3,-0.0 -4,-0.1 0, 0.0 -0.809 360.0 360.0-105.4 142.5 -19.7 2.1 -0.4 86 86 A A 0 0 173 -2,-0.4 -3,-0.1 -85,-0.0 -2,-0.0 -0.891 360.0 360.0-135.5 360.0 -22.3 4.9 -0.1