==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 21-JAN-03 1NQ4 . COMPND 2 MOLECULE: OXYTETRACYCLINE POLYKETIDE SYNTHASE ACYL CARRIER . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RIMOSUS; . AUTHOR S.C.FINDLOW,C.WINSOR,T.J.SIMPSON,J.CROSBY,M.P.CRUMP . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 56.8 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 . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.2 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 2 0 0 0 0 0 0 0 1 1 1 0 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 0 174 0, 0.0 2,-0.2 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0-176.2 63.1 12.5 5.3 2 2 A T - 0 0 110 1,-0.1 79,-0.1 80,-0.0 80,-0.0 -0.537 360.0-117.7 -78.4 141.6 65.6 12.6 2.4 3 3 A L - 0 0 104 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.290 33.9-106.1 -59.3-164.0 65.4 9.9 -0.2 4 4 A L - 0 0 3 70,-0.2 2,-0.3 71,-0.0 -1,-0.1 -0.860 24.8-158.2-129.9 165.6 68.2 7.3 -0.8 5 5 A T > - 0 0 69 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.873 35.0-105.7-137.8 170.6 70.9 6.7 -3.4 6 6 A L H > S+ 0 0 51 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.906 119.9 56.0 -63.0 -42.4 73.1 3.9 -4.7 7 7 A S H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 108.5 50.8 -60.1 -29.8 76.1 5.3 -2.9 8 8 A D H > S+ 0 0 55 -3,-0.3 4,-2.4 2,-0.2 5,-0.4 0.993 111.1 42.0 -70.7 -65.9 74.1 5.2 0.3 9 9 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.796 115.7 54.8 -51.7 -31.7 72.9 1.6 0.2 10 10 A L H X S+ 0 0 23 -4,-2.1 4,-3.1 -5,-0.2 -1,-0.2 0.963 109.3 43.2 -68.9 -53.4 76.4 0.6 -1.0 11 11 A T H X S+ 0 0 36 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.958 114.0 49.7 -57.6 -54.6 78.3 2.2 1.9 12 12 A L H X S+ 0 0 27 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.873 114.7 46.8 -54.4 -34.4 75.9 0.9 4.6 13 13 A L H X S+ 0 0 3 -4,-1.3 4,-2.9 -5,-0.4 5,-0.3 0.905 111.6 51.1 -71.9 -40.3 76.3 -2.5 2.9 14 14 A R H X>S+ 0 0 69 -4,-3.1 4,-3.0 1,-0.2 5,-2.1 0.916 109.6 49.5 -61.1 -44.8 80.1 -1.9 2.9 15 15 A E H <5S+ 0 0 93 -4,-3.7 -1,-0.2 3,-0.2 -2,-0.2 0.907 111.5 50.6 -61.1 -42.0 80.1 -1.1 6.6 16 16 A C H <5S+ 0 0 45 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.973 115.3 39.7 -59.6 -57.8 78.0 -4.2 7.3 17 17 A A H <5S- 0 0 57 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.874 111.9-122.6 -60.7 -37.7 80.3 -6.5 5.4 18 18 A G T <5 + 0 0 56 -4,-3.0 -3,-0.2 -5,-0.3 -4,-0.1 0.727 55.7 153.6 98.6 28.9 83.3 -4.6 6.7 19 19 A E < - 0 0 86 -5,-2.1 3,-0.1 -6,-0.2 -1,-0.1 -0.122 51.1-123.8 -79.1-178.5 84.9 -3.7 3.4 20 20 A E S S+ 0 0 175 1,-0.2 2,-0.2 2,-0.0 3,-0.1 -0.131 90.9 45.3-120.0 35.6 87.1 -0.7 2.7 21 21 A E S > S- 0 0 104 -10,-0.1 3,-0.8 -11,-0.1 -1,-0.2 -0.658 72.2-134.1-178.6 117.7 85.0 0.9 -0.1 22 22 A S T 3 S+ 0 0 28 1,-0.3 2,-0.4 -2,-0.2 3,-0.2 0.832 111.7 32.4 -42.3 -40.3 81.3 1.5 -0.4 23 23 A I T 3 + 0 0 32 1,-0.1 -1,-0.3 3,-0.1 3,-0.3 -0.690 69.0 149.3-123.7 77.8 81.5 0.1 -3.9 24 24 A D < + 0 0 87 -3,-0.8 -1,-0.1 -2,-0.4 -2,-0.1 0.816 68.3 68.7 -76.7 -32.2 84.3 -2.5 -3.8 25 25 A L S S- 0 0 76 -3,-0.2 -1,-0.2 -4,-0.2 3,-0.2 0.811 114.7-113.6 -56.5 -30.2 82.5 -4.6 -6.6 26 26 A G - 0 0 62 -3,-0.3 -1,-0.1 1,-0.1 -3,-0.1 -0.428 51.5 -70.6 129.0 -58.4 83.4 -1.8 -9.0 27 27 A G S S+ 0 0 34 -2,-0.0 2,-1.9 0, 0.0 3,-0.4 0.083 108.0 96.7 159.7 -29.2 80.1 -0.2 -10.0 28 28 A D + 0 0 146 1,-0.2 0, 0.0 -3,-0.2 0, 0.0 -0.366 64.5 87.1 -83.7 59.4 78.4 -2.8 -12.2 29 29 A V + 0 0 6 -2,-1.9 -1,-0.2 2,-0.0 3,-0.2 0.012 49.6 100.5-145.0 28.8 76.4 -4.2 -9.3 30 30 A E S S+ 0 0 63 -3,-0.4 41,-1.3 1,-0.2 -2,-0.1 0.750 97.1 29.8 -86.8 -26.6 73.3 -2.0 -9.3 31 31 A D S S+ 0 0 117 38,-0.1 2,-0.4 39,-0.1 -1,-0.2 0.007 99.6 105.2-120.8 26.8 71.1 -4.5 -11.2 32 32 A V S S- 0 0 46 -3,-0.2 5,-0.1 1,-0.0 -3,-0.0 -0.915 77.4-106.1-111.9 133.1 72.9 -7.7 -9.9 33 33 A A >> - 0 0 35 -2,-0.4 4,-1.4 36,-0.1 3,-0.7 -0.145 27.3-116.8 -54.3 148.6 71.3 -9.9 -7.2 34 34 A F H 3>>S+ 0 0 11 34,-2.7 5,-2.8 1,-0.3 4,-1.8 0.880 119.8 48.0 -54.4 -40.5 72.8 -9.7 -3.7 35 35 A D H 345S+ 0 0 129 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.741 106.9 58.4 -72.8 -23.1 73.8 -13.3 -4.0 36 36 A A H <45S+ 0 0 67 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.6 39.4 -78.4 -24.0 75.3 -12.6 -7.4 37 37 A L H <5S- 0 0 42 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.743 129.5 -87.1 -96.1 -27.0 77.6 -10.0 -6.1 38 38 A G T <5S+ 0 0 53 -4,-1.8 -3,-0.2 1,-0.4 2,-0.2 0.310 84.2 127.1 138.2 -6.0 78.6 -11.8 -2.8 39 39 A Y < - 0 0 23 -5,-2.8 -1,-0.4 -6,-0.2 -2,-0.1 -0.549 32.9-172.9 -82.0 146.7 75.9 -10.8 -0.3 40 40 A D - 0 0 115 -2,-0.2 -1,-0.2 -5,-0.0 -5,-0.1 0.849 43.9 -99.5 -99.1 -73.6 74.0 -13.5 1.6 41 41 A S S > S+ 0 0 79 -7,-0.1 4,-3.8 -6,-0.0 5,-0.2 0.048 105.7 77.6 176.6 -40.4 71.2 -11.9 3.6 42 42 A L H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.905 102.3 44.1 -55.6 -43.6 72.4 -11.7 7.2 43 43 A A H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 114.4 49.5 -68.4 -41.0 74.5 -8.6 6.2 44 44 A L H > S+ 0 0 13 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.909 105.7 57.7 -63.5 -41.6 71.5 -7.2 4.3 45 45 A L H X S+ 0 0 125 -4,-3.8 4,-1.3 1,-0.2 -1,-0.2 0.897 111.0 43.1 -54.8 -42.6 69.3 -7.8 7.2 46 46 A N H X S+ 0 0 100 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.943 115.7 47.1 -69.6 -49.0 71.5 -5.6 9.3 47 47 A T H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.938 111.6 50.5 -58.1 -48.8 71.9 -2.9 6.6 48 48 A V H X S+ 0 0 21 -4,-3.9 4,-2.7 1,-0.2 -1,-0.2 0.843 106.9 57.1 -58.8 -33.2 68.2 -2.9 5.9 49 49 A G H X S+ 0 0 24 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.917 106.7 47.0 -64.3 -44.1 67.7 -2.5 9.7 50 50 A R H X S+ 0 0 148 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.854 113.2 50.1 -66.5 -34.7 69.8 0.7 9.8 51 51 A I H X>S+ 0 0 7 -4,-2.0 4,-3.7 2,-0.2 5,-0.9 0.942 107.9 50.6 -69.4 -48.2 68.0 2.1 6.8 52 52 A E H <5S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 121.5 36.6 -60.8 -25.7 64.5 1.5 8.2 53 53 A R H <5S+ 0 0 203 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.828 121.7 42.9 -93.8 -38.9 65.7 3.3 11.3 54 54 A D H <5S+ 0 0 79 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.886 131.1 26.4 -73.7 -40.1 67.9 5.9 9.8 55 55 A Y T <5S- 0 0 39 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.1 0.721 99.0-134.5 -93.8 -25.9 65.5 6.7 7.0 56 56 A G < + 0 0 58 -5,-0.9 -4,-0.2 1,-0.2 2,-0.2 0.880 44.0 165.0 73.3 38.2 62.3 5.6 8.9 57 57 A V + 0 0 26 -6,-0.4 -1,-0.2 1,-0.1 20,-0.1 -0.546 16.1 157.3 -87.6 154.3 60.9 3.7 5.9 58 58 A Q + 0 0 163 -2,-0.2 3,-0.2 18,-0.2 -1,-0.1 -0.074 19.7 133.9-173.0 57.5 58.1 1.2 6.3 59 59 A L S S- 0 0 99 1,-0.3 2,-0.3 17,-0.1 3,-0.1 0.877 86.6 -14.7 -79.6 -39.3 56.2 0.5 3.0 60 60 A G > - 0 0 26 1,-0.1 3,-2.3 16,-0.0 -1,-0.3 -0.841 48.7-140.7-168.7 127.1 56.2 -3.3 3.5 61 61 A D T > S+ 0 0 134 1,-0.3 3,-1.0 -2,-0.3 4,-0.2 0.796 107.0 61.3 -59.1 -28.3 58.2 -5.7 5.7 62 62 A D T >> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.489 75.4 94.1 -78.9 -0.5 58.3 -8.0 2.6 63 63 A A H <> S+ 0 0 14 -3,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.856 82.2 55.7 -57.9 -33.1 60.3 -5.3 0.8 64 64 A V H <4 S+ 0 0 78 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.795 104.8 54.5 -69.0 -28.3 63.4 -7.1 2.0 65 65 A E H <4 S+ 0 0 157 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.988 113.9 36.2 -68.8 -60.9 62.1 -10.3 0.4 66 66 A K H < S+ 0 0 150 -4,-1.8 2,-0.9 1,-0.1 3,-0.2 0.817 94.3 103.3 -61.9 -30.2 61.5 -9.0 -3.1 67 67 A A < + 0 0 7 -4,-1.9 -33,-0.1 -5,-0.3 -1,-0.1 -0.378 33.9 145.1 -58.9 98.7 64.6 -6.8 -2.7 68 68 A T + 0 0 72 -2,-0.9 -34,-2.7 -35,-0.1 -1,-0.2 0.691 63.4 38.5-106.7 -30.2 67.2 -8.8 -4.7 69 69 A T S >> S- 0 0 22 -36,-0.2 4,-1.3 -3,-0.2 3,-0.5 -0.686 87.2-111.3-114.7 170.7 69.2 -5.9 -6.1 70 70 A P H 3> S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.901 117.0 61.8 -69.8 -37.6 70.3 -2.6 -4.5 71 71 A R H 3> S+ 0 0 90 -41,-1.3 4,-1.8 1,-0.2 5,-0.1 0.770 100.9 57.5 -57.5 -24.3 68.0 -0.6 -6.8 72 72 A A H <> S+ 0 0 16 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.982 109.8 39.0 -70.2 -58.4 65.2 -2.6 -5.1 73 73 A L H X S+ 0 0 11 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.932 119.4 48.2 -56.6 -48.1 66.0 -1.6 -1.5 74 74 A I H X S+ 0 0 10 -4,-2.9 4,-3.9 1,-0.2 5,-0.3 0.895 111.8 51.0 -60.2 -40.2 66.7 2.0 -2.7 75 75 A E H X S+ 0 0 126 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.931 109.7 48.7 -63.5 -45.7 63.5 2.0 -4.7 76 76 A M H X S+ 0 0 65 -4,-3.0 4,-1.1 2,-0.2 -1,-0.2 0.877 117.2 43.4 -61.6 -37.3 61.5 0.8 -1.7 77 77 A T H X S+ 0 0 5 -4,-2.4 4,-2.8 -5,-0.2 3,-0.5 0.966 114.8 46.3 -72.2 -54.1 63.2 3.5 0.4 78 78 A N H X S+ 0 0 35 -4,-3.9 4,-2.7 1,-0.3 5,-0.2 0.849 112.6 53.2 -56.7 -34.5 62.9 6.3 -2.2 79 79 A A H X S+ 0 0 45 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.3 0.837 109.8 48.2 -69.3 -33.7 59.3 5.3 -2.7 80 80 A S H X>S+ 0 0 12 -4,-1.1 4,-1.0 -3,-0.5 5,-0.9 0.917 114.4 44.3 -73.1 -44.9 58.7 5.6 1.0 81 81 A L H ><5S+ 0 0 25 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.942 117.4 44.4 -65.3 -48.0 60.3 9.0 1.3 82 82 A T H 3<5S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 105.6 63.8 -65.2 -32.5 58.6 10.3 -1.8 83 83 A G H 3<5S- 0 0 48 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.812 96.5-145.2 -60.7 -29.8 55.4 8.8 -0.6 84 84 A A T <<5 - 0 0 77 -4,-1.0 -3,-0.1 -3,-0.8 -2,-0.1 0.960 57.9 -54.2 61.8 52.8 55.5 11.1 2.3 85 85 A S S