==== 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 2KGD . 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) . 5191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 70.9 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 . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.6 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 . 3 3.5 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 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 0 208 0, 0.0 2,-0.3 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 -34.7 17.8 -8.7 0.2 2 2 A A - 0 0 24 80,-0.3 2,-0.7 1,-0.1 84,-0.1 -0.653 360.0-101.8 -83.9 144.3 14.4 -7.4 1.4 3 3 A T - 0 0 100 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.568 34.4-130.6 -72.9 107.8 11.4 -9.3 0.2 4 4 A L - 0 0 92 -2,-0.7 5,-0.1 1,-0.1 75,-0.1 -0.408 37.3 -96.2 -57.9 130.8 9.8 -7.3 -2.7 5 5 A L - 0 0 6 70,-0.2 -1,-0.1 -2,-0.1 2,-0.1 -0.296 44.3-164.8 -57.8 125.5 6.1 -7.0 -2.0 6 6 A T > - 0 0 78 -3,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.253 38.7 -91.3 -92.9-170.5 4.1 -9.6 -3.8 7 7 A T H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.956 127.3 43.5 -70.3 -48.9 0.3 -9.6 -4.4 8 8 A D H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 115.0 49.7 -63.7 -39.1 -0.4 -11.5 -1.2 9 9 A D H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 111.5 47.0 -71.0 -39.2 2.0 -9.4 0.8 10 10 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.887 109.7 55.2 -65.9 -36.6 0.7 -6.1 -0.4 11 11 A R H X S+ 0 0 71 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.891 103.4 56.0 -62.1 -39.1 -2.8 -7.5 0.3 12 12 A R H >X S+ 0 0 109 -4,-1.9 4,-2.7 1,-0.2 3,-0.7 0.920 106.6 50.1 -57.1 -45.2 -1.6 -8.2 3.9 13 13 A A H 3X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.3 -2,-0.2 0.909 107.2 52.9 -61.6 -44.8 -0.7 -4.5 4.2 14 14 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.644 111.9 47.6 -67.7 -16.8 -4.1 -3.3 3.0 15 15 A V H XX S+ 0 0 32 -4,-0.9 4,-3.3 -3,-0.7 3,-2.0 0.897 107.6 53.7 -84.4 -49.4 -5.7 -5.5 5.6 16 16 A E H 3< S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.790 98.8 64.9 -55.8 -31.7 -3.4 -4.3 8.5 17 17 A S T 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.743 119.8 21.2 -67.4 -20.4 -4.3 -0.7 7.7 18 18 A A T <4 S- 0 0 62 -3,-2.0 2,-1.0 -4,-0.2 -2,-0.2 0.667 93.5-139.5-114.8 -29.7 -7.9 -1.4 8.7 19 19 A G S < S+ 0 0 41 -4,-3.3 2,-0.3 -5,-0.0 -1,-0.1 -0.680 86.9 39.0 102.5 -75.1 -7.6 -4.4 10.8 20 20 A E - 0 0 163 -2,-1.0 2,-0.1 -3,-0.1 0, 0.0 -0.779 68.8-171.5-100.3 146.2 -10.6 -6.2 9.5 21 21 A T + 0 0 34 -2,-0.3 2,-0.2 -3,-0.1 5,-0.2 -0.579 19.2 156.9-142.5 73.5 -11.3 -5.9 5.9 22 22 A D + 0 0 138 1,-0.1 2,-1.4 -2,-0.1 3,-0.1 -0.623 63.1 23.9 -94.8 158.2 -14.7 -7.3 5.0 23 23 A G S S+ 0 0 81 -2,-0.2 2,-1.0 1,-0.2 -1,-0.1 -0.176 97.3 100.8 83.8 -45.5 -16.7 -6.4 1.9 24 24 A T - 0 0 29 -2,-1.4 2,-1.2 14,-0.1 3,-0.2 -0.643 66.8-153.4 -72.3 98.4 -13.5 -5.4 0.2 25 25 A D + 0 0 126 -2,-1.0 3,-0.1 1,-0.2 -3,-0.1 -0.730 34.5 154.2 -77.5 102.1 -12.7 -8.3 -2.0 26 26 A L + 0 0 7 -2,-1.2 2,-1.6 -5,-0.2 -1,-0.2 0.666 47.2 78.8-107.6 -25.5 -9.0 -7.7 -2.1 27 27 A S S S+ 0 0 76 -3,-0.2 -1,-0.2 1,-0.2 -19,-0.0 -0.595 80.9 67.7 -90.5 77.3 -7.7 -11.2 -2.7 28 28 A G S S- 0 0 55 -2,-1.6 -1,-0.2 -3,-0.1 -3,-0.0 0.134 120.8 -46.3 172.2 58.0 -8.3 -11.4 -6.5 29 29 A D + 0 0 126 -3,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.975 67.5 166.2 66.3 89.2 -6.2 -9.0 -8.6 30 30 A F + 0 0 5 -4,-0.2 3,-0.3 1,-0.1 42,-0.1 0.130 39.7 104.0-122.1 21.2 -6.4 -5.7 -6.8 31 31 A L S S+ 0 0 9 1,-0.2 41,-2.3 40,-0.2 42,-0.3 0.847 89.9 32.5 -80.1 -32.0 -3.6 -3.7 -8.4 32 32 A D S S+ 0 0 94 39,-0.2 -1,-0.2 38,-0.2 2,-0.1 0.255 92.3 111.4-111.6 12.9 -5.7 -1.4 -10.6 33 33 A L S S- 0 0 40 -3,-0.3 2,-0.4 1,-0.1 39,-0.2 -0.411 70.8-108.7 -79.1 163.5 -8.7 -1.1 -8.5 34 34 A R >> - 0 0 116 36,-0.1 4,-1.4 1,-0.1 3,-0.6 -0.774 6.9-138.7-100.8 141.0 -9.6 2.2 -7.0 35 35 A F T 34>S+ 0 0 6 34,-0.8 5,-3.3 -2,-0.4 4,-0.1 0.803 103.1 65.3 -64.8 -29.5 -9.3 2.9 -3.3 36 36 A E T >45S+ 0 0 132 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.920 103.3 46.4 -56.9 -43.3 -12.6 4.8 -3.5 37 37 A D T <45S+ 0 0 139 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 111.0 50.5 -73.2 -33.2 -14.4 1.5 -4.3 38 38 A I T 3<5S- 0 0 10 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.318 117.3-113.1 -90.3 13.3 -12.7 -0.5 -1.6 39 39 A G T < 5 + 0 0 61 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.907 64.4 153.0 58.5 46.1 -13.6 2.2 0.9 40 40 A Y < - 0 0 21 -5,-3.3 2,-0.3 -6,-0.1 -1,-0.2 -0.933 34.6-151.2-115.3 124.4 -10.1 3.2 1.5 41 41 A D >> - 0 0 111 -2,-0.5 4,-1.1 1,-0.1 3,-0.6 -0.649 22.0-129.3 -84.9 147.0 -9.1 6.6 2.5 42 42 A S H 3> S+ 0 0 57 -2,-0.3 4,-0.9 1,-0.3 -1,-0.1 0.791 112.6 61.8 -67.5 -27.1 -5.7 7.9 1.5 43 43 A L H 3> S+ 0 0 126 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.851 104.3 48.7 -61.5 -34.4 -5.2 8.7 5.2 44 44 A A H <> S+ 0 0 27 -3,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.740 101.3 64.0 -79.3 -21.9 -5.6 5.0 5.8 45 45 A L H X S+ 0 0 1 -4,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.760 94.8 59.3 -71.0 -24.2 -3.1 4.4 3.0 46 46 A M H X S+ 0 0 50 -4,-0.9 4,-2.8 -3,-0.3 -1,-0.2 0.816 104.4 50.7 -71.5 -28.4 -0.5 6.1 5.2 47 47 A E H X S+ 0 0 78 -4,-0.6 4,-2.7 -3,-0.2 -2,-0.2 0.915 108.7 50.9 -70.6 -45.0 -1.3 3.4 7.7 48 48 A T H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.943 114.2 44.5 -53.8 -52.4 -0.7 0.8 5.0 49 49 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.941 111.6 52.4 -57.8 -50.6 2.6 2.5 4.2 50 50 A A H X S+ 0 0 32 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.863 105.6 55.3 -56.4 -42.4 3.5 2.8 7.9 51 51 A R H X S+ 0 0 98 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.930 113.4 41.2 -55.3 -47.7 2.9 -0.9 8.5 52 52 A L H X>S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.5 0.818 112.0 56.4 -73.3 -32.4 5.3 -1.7 5.7 53 53 A E H X>S+ 0 0 52 -4,-2.5 4,-2.8 1,-0.2 5,-0.7 0.982 111.4 41.3 -60.5 -56.9 7.8 1.0 6.8 54 54 A S H <5S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.727 121.7 45.2 -64.7 -23.5 8.1 -0.4 10.3 55 55 A R H <5S+ 0 0 111 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.932 125.2 25.5 -86.0 -53.0 8.2 -3.9 8.9 56 56 A Y H <5S- 0 0 40 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.725 103.2-115.7 -89.8 -21.8 10.6 -3.6 6.0 57 57 A G T << + 0 0 60 -4,-2.8 2,-0.2 -5,-0.5 -3,-0.2 0.803 66.6 138.6 89.2 32.5 12.6 -0.7 7.2 58 58 A V < - 0 0 13 -5,-0.7 2,-0.5 -6,-0.4 -1,-0.2 -0.520 51.3-125.6-102.8 175.3 11.6 1.7 4.4 59 59 A S + 0 0 108 -2,-0.2 -9,-0.0 19,-0.0 -10,-0.0 -0.960 28.5 173.0-128.7 109.2 10.7 5.3 4.5 60 60 A I - 0 0 9 -2,-0.5 2,-0.1 -14,-0.1 -7,-0.1 -0.955 26.0-136.7-121.7 111.0 7.4 6.4 3.0 61 61 A P >> - 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.427 15.7-130.6 -63.7 139.1 6.3 10.0 3.3 62 62 A D H 3> S+ 0 0 109 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.819 106.9 63.6 -62.3 -30.5 2.6 10.3 4.2 63 63 A D H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.827 106.0 46.0 -61.6 -32.2 2.1 12.8 1.4 64 64 A V H X> S+ 0 0 34 -3,-1.0 3,-1.9 2,-0.2 4,-0.9 0.915 106.7 55.5 -77.8 -48.6 3.0 10.0 -1.0 65 65 A A H 3< S+ 0 0 2 -4,-1.7 3,-0.4 1,-0.3 -2,-0.2 0.831 109.8 47.7 -58.3 -32.9 0.8 7.3 0.5 66 66 A G T 3< S+ 0 0 32 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.492 105.7 61.3 -86.1 -1.5 -2.2 9.6 0.1 67 67 A R T <4 S+ 0 0 189 -3,-1.9 2,-0.2 -5,-0.1 -2,-0.2 0.627 74.8 108.9 -98.5 -17.6 -1.2 10.4 -3.5 68 68 A V < - 0 0 12 -4,-0.9 -33,-0.1 -3,-0.4 -23,-0.1 -0.426 46.5-169.3 -69.6 125.0 -1.4 6.8 -4.9 69 69 A D S S+ 0 0 97 -2,-0.2 -34,-0.8 1,-0.2 -1,-0.2 0.873 73.6 20.3 -78.5 -43.4 -4.4 6.3 -7.2 70 70 A T S >> S- 0 0 14 -36,-0.1 4,-1.3 -35,-0.1 3,-1.0 -0.894 79.0-115.2-126.8 155.4 -4.1 2.6 -7.5 71 71 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -39,-0.2 0.720 113.0 72.0 -60.3 -21.1 -2.4 -0.1 -5.3 72 72 A R H 3> S+ 0 0 123 -41,-2.3 4,-2.8 2,-0.2 5,-0.2 0.925 99.5 44.3 -56.0 -45.9 -0.2 -0.7 -8.4 73 73 A E H <> S+ 0 0 99 -3,-1.0 4,-2.2 -42,-0.3 -1,-0.2 0.885 113.0 50.7 -68.8 -40.0 1.5 2.6 -7.6 74 74 A L H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.923 112.7 47.8 -63.3 -45.3 1.7 1.8 -3.9 75 75 A L H X S+ 0 0 25 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.957 112.5 46.9 -59.2 -55.2 3.3 -1.6 -4.8 76 76 A D H X S+ 0 0 106 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.838 107.9 59.0 -60.1 -36.1 5.8 -0.1 -7.3 77 77 A L H X S+ 0 0 53 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.958 112.9 36.3 -56.8 -53.1 6.7 2.6 -4.7 78 78 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.835 114.1 56.3 -77.2 -30.4 7.8 0.1 -2.1 79 79 A N H X S+ 0 0 41 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.909 112.8 43.5 -65.3 -39.5 9.3 -2.4 -4.6 80 80 A G H X S+ 0 0 26 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.948 113.4 51.0 -66.6 -48.0 11.5 0.4 -5.8 81 81 A A H >< S+ 0 0 32 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.909 110.6 49.1 -54.3 -47.1 12.2 1.5 -2.3 82 82 A L H >X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 3,-1.2 0.843 104.6 59.3 -63.2 -35.5 13.2 -2.0 -1.3 83 83 A A H 3< S+ 0 0 67 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 114.8 35.8 -68.4 -25.9 15.5 -2.3 -4.3 84 84 A E T << S+ 0 0 163 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.213 118.8 54.9-107.6 14.8 17.5 0.6 -3.1 85 85 A A T <4 0 0 58 -3,-1.2 -2,-0.2 -5,-0.1 -3,-0.2 0.815 360.0 360.0-109.4 -54.8 17.0 -0.3 0.6 86 86 A A < 0 0 72 -4,-2.3 -3,-0.1 -84,-0.1 -4,-0.1 0.277 360.0 360.0-150.6 360.0 18.3 -3.9 1.0