==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-DEC-09 2KR5 . COMPND 2 MOLECULE: AFLATOXIN BIOSYNTHESIS POLYKETIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS PARASITICUS; . AUTHOR P.WATTANA-AMORN,C.WILLIAMS,E.PLOSKON,R.J.COX,T.J.SIMPSON,J.C . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 66.3 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 . 2 2.2 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.4 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 1 0 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 . 1 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 A 0 0 98 0, 0.0 4,-0.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 128.9 -14.0 -0.4 4.4 2 2 A M + 0 0 166 87,-0.2 3,-0.0 0, 0.0 86,-0.0 0.988 360.0 2.4 62.7 80.4 -15.6 0.6 7.7 3 3 A A S S+ 0 0 72 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.672 129.6 32.3 72.1 123.1 -16.2 -2.9 9.0 4 4 A K S S- 0 0 165 80,-0.1 80,-0.1 85,-0.0 0, 0.0 0.670 70.1-152.5 68.5 126.2 -15.0 -5.7 6.7 5 5 A G - 0 0 34 78,-0.3 79,-0.2 79,-0.1 78,-0.1 0.324 24.4-101.2 -95.7-131.3 -11.9 -5.3 4.6 6 6 A V - 0 0 84 76,-0.4 77,-0.2 75,-0.3 76,-0.1 0.578 35.5-137.3-123.1 -75.9 -11.1 -6.9 1.3 7 7 A G - 0 0 46 75,-2.9 2,-0.3 74,-0.2 76,-0.2 0.513 17.3-168.0 108.0 105.6 -8.7 -9.8 1.5 8 8 A V - 0 0 20 1,-0.0 2,-0.1 52,-0.0 -2,-0.0 -0.838 20.5-116.8-119.4 158.2 -5.8 -10.4 -0.9 9 9 A S > - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.350 35.9-101.6 -83.7 172.9 -3.6 -13.4 -1.5 10 10 A N H > S+ 0 0 128 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.692 123.6 64.6 -70.2 -16.8 0.2 -13.4 -1.0 11 11 A E H > S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.930 105.5 41.2 -66.3 -47.7 0.4 -13.1 -4.7 12 12 A K H > S+ 0 0 83 1,-0.2 4,-1.4 -3,-0.2 -2,-0.2 0.798 111.0 59.2 -69.0 -27.6 -1.3 -9.7 -4.5 13 13 A L H X S+ 0 0 52 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.739 107.4 46.4 -69.7 -24.8 1.0 -9.2 -1.5 14 14 A D H X S+ 0 0 109 -4,-0.8 4,-0.8 -3,-0.5 -2,-0.2 0.818 109.5 53.7 -83.3 -32.8 3.9 -9.7 -3.8 15 15 A A H X S+ 0 0 20 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.778 103.9 56.0 -76.1 -27.3 2.6 -7.4 -6.5 16 16 A V H >X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 3,-0.6 0.898 97.5 61.3 -70.6 -40.7 2.1 -4.5 -4.2 17 17 A M H 3X S+ 0 0 42 -4,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.814 103.2 50.8 -61.5 -31.1 5.7 -4.4 -3.0 18 18 A R H 3X S+ 0 0 154 -4,-0.8 4,-1.8 2,-0.2 -1,-0.3 0.805 109.6 49.5 -78.7 -27.8 7.0 -3.7 -6.5 19 19 A V H > - 0 0 55 -2,-0.5 3,-2.3 1,-0.1 4,-0.6 -0.282 21.3-121.0 -55.7 141.8 14.7 -1.3 -3.8 28 28 A L G >4 S+ 0 0 70 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.831 114.1 58.6 -54.1 -34.1 12.5 -4.3 -3.4 29 29 A E G 34 S+ 0 0 158 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.595 109.5 44.0 -75.4 -10.4 15.4 -6.2 -1.7 30 30 A E G <4 S+ 0 0 126 -3,-2.3 2,-1.1 2,-0.1 -1,-0.3 0.407 82.1 116.3-110.0 -3.9 15.5 -3.5 0.9 31 31 A L << + 0 0 16 -3,-0.8 2,-0.3 -4,-0.6 -10,-0.0 -0.562 40.2 154.1 -74.3 99.3 11.8 -3.3 1.5 32 32 A T > - 0 0 64 -2,-1.1 3,-2.2 1,-0.0 43,-0.2 -0.811 61.2-104.9-121.7 164.5 11.4 -4.4 5.0 33 33 A D T 3 S+ 0 0 72 1,-0.3 42,-0.4 -2,-0.3 43,-0.3 0.613 117.1 71.9 -66.0 -9.9 8.7 -3.7 7.7 34 34 A D T 3 S+ 0 0 132 40,-0.1 -1,-0.3 41,-0.1 2,-0.1 0.676 77.5 99.6 -74.9 -19.6 11.3 -1.4 9.2 35 35 A S < - 0 0 9 -3,-2.2 40,-1.1 -5,-0.1 2,-0.5 -0.431 62.2-155.8 -71.5 143.1 10.7 1.0 6.3 36 36 A N B > -A 74 0A 48 38,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.970 13.8-151.8-128.4 117.9 8.4 3.9 7.0 37 37 A F H >>S+ 0 0 4 36,-1.9 5,-2.5 -2,-0.5 4,-0.6 0.876 103.0 44.1 -55.4 -39.7 6.5 5.7 4.3 38 38 A A H 45S+ 0 0 58 35,-0.6 -1,-0.3 3,-0.2 3,-0.1 0.811 112.5 52.6 -75.2 -29.2 6.5 8.9 6.2 39 39 A D H 45S+ 0 0 121 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 108.1 51.0 -74.8 -31.1 10.2 8.5 7.2 40 40 A M H <5S- 0 0 80 -4,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.628 120.3-110.6 -81.0 -14.7 11.1 8.0 3.6 41 41 A G T <5 - 0 0 43 -4,-0.6 2,-0.9 -5,-0.3 -3,-0.2 0.894 44.1-177.2 86.7 42.9 9.3 11.2 2.7 42 42 A I < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 -18,-0.1 -0.667 16.8-155.5 -75.5 107.3 6.4 9.8 0.7 43 43 A D > - 0 0 108 -2,-0.9 4,-2.9 1,-0.1 5,-0.3 -0.174 31.5 -93.6 -80.2 175.2 4.5 12.9 -0.4 44 44 A S H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.876 124.5 53.7 -52.9 -42.9 0.9 13.4 -1.4 45 45 A L H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.981 114.4 37.1 -58.4 -61.6 1.8 12.8 -5.0 46 46 A S H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 114.9 53.7 -61.2 -47.1 3.5 9.4 -4.5 47 47 A S H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 21,-0.8 0.786 113.2 44.8 -62.4 -27.4 1.2 8.1 -1.9 48 48 A M H X S+ 0 0 99 -4,-1.5 4,-1.7 -3,-0.5 -1,-0.2 0.865 110.6 53.3 -80.4 -39.9 -1.8 8.8 -4.2 49 49 A V H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.902 106.4 54.1 -62.8 -42.2 -0.1 7.3 -7.2 50 50 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.966 112.1 41.1 -56.8 -58.2 0.6 4.1 -5.3 51 51 A G H X S+ 0 0 3 -4,-1.2 4,-0.9 15,-0.3 12,-0.2 0.761 113.3 56.7 -65.3 -23.7 -3.0 3.4 -4.3 52 52 A S H >X S+ 0 0 23 -4,-1.7 4,-2.0 2,-0.2 3,-0.9 0.931 104.8 50.0 -69.6 -45.7 -4.0 4.6 -7.7 53 53 A R H 3X>S+ 0 0 60 -4,-2.8 4,-2.1 1,-0.3 5,-1.7 0.825 101.6 65.1 -61.3 -32.0 -1.9 1.9 -9.4 54 54 A F H 3<>S+ 0 0 0 -4,-1.7 6,-3.4 1,-0.2 5,-1.1 0.897 108.6 39.2 -53.7 -40.6 -3.5 -0.6 -7.0 55 55 A R H <<5S+ 0 0 100 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.867 127.0 32.2 -81.0 -37.8 -6.7 0.1 -8.8 56 56 A E H <5S+ 0 0 153 -4,-2.0 -3,-0.2 3,-0.1 -2,-0.2 0.937 128.9 29.2 -87.9 -52.4 -5.4 0.3 -12.3 57 57 A D T <5S+ 0 0 96 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.892 137.6 23.3 -80.4 -42.2 -2.5 -2.1 -12.5 58 58 A L T > - 0 0 29 -2,-0.7 4,-2.5 -16,-0.1 3,-1.2 -0.940 29.0-153.9-118.3 129.0 -3.2 7.7 0.5 68 68 A L T 34 S+ 0 0 1 -21,-0.8 -26,-0.1 -2,-0.5 -30,-0.1 0.405 93.5 70.4 -76.2 3.0 -0.2 6.0 2.1 69 69 A F T 34 S+ 0 0 95 -25,-0.1 -1,-0.2 -32,-0.1 -25,-0.1 0.650 121.0 5.9 -93.7 -17.7 0.7 9.4 3.6 70 70 A I T <4 S+ 0 0 143 -3,-1.2 -2,-0.2 -26,-0.1 -4,-0.0 0.607 132.3 47.1-132.3 -37.4 -2.3 9.5 6.0 71 71 A D S < S+ 0 0 88 -4,-2.5 2,-0.3 2,-0.1 -3,-0.2 0.496 118.5 35.3 -95.8 -2.8 -4.1 6.2 5.9 72 72 A C + 0 0 7 -5,-0.4 3,-0.1 1,-0.1 6,-0.0 -0.961 53.5 175.3-147.2 157.8 -1.0 4.1 6.1 73 73 A T + 0 0 82 1,-0.3 -36,-1.9 -2,-0.3 -35,-0.6 0.576 63.1 23.9-129.9 -73.4 2.3 4.5 7.9 74 74 A T B > S-A 36 0A 49 -38,-0.2 4,-0.6 -37,-0.1 -1,-0.3 -0.206 83.1-101.4 -90.2-171.6 4.8 1.6 7.7 75 75 A V H >> S+ 0 0 10 -40,-1.1 4,-1.9 -42,-0.4 3,-0.9 0.911 121.5 52.5 -79.5 -44.3 5.1 -1.1 5.1 76 76 A R H 3> S+ 0 0 148 -43,-0.3 4,-3.1 1,-0.3 5,-0.4 0.836 99.6 66.2 -59.1 -32.7 3.4 -3.8 7.1 77 77 A A H 3> S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.865 105.3 42.7 -56.7 -37.2 0.5 -1.4 7.6 78 78 A L H X S+ 0 0 33 -4,-1.9 3,-0.7 1,-0.2 4,-0.6 0.964 113.8 38.3 -53.9 -61.3 0.3 -5.4 3.9 80 80 A D H >X>S+ 0 0 63 -4,-3.1 4,-4.0 1,-0.2 3,-1.3 0.875 107.7 67.2 -59.0 -37.8 -2.2 -6.1 6.7 81 81 A F H 3<5S+ 0 0 71 -4,-1.4 -75,-0.3 -5,-0.4 -1,-0.2 0.844 91.4 62.3 -52.7 -39.7 -4.5 -3.4 5.3 82 82 A M H <<5S+ 0 0 1 -4,-1.5 -75,-2.9 -3,-0.7 -76,-0.4 0.846 119.7 24.3 -55.9 -38.5 -5.0 -5.5 2.2 83 83 A L H <<5S- 0 0 77 -3,-1.3 -78,-0.3 -4,-0.6 -77,-0.3 0.837 96.6-136.3 -94.7 -42.4 -6.6 -8.3 4.3 84 84 A G T ><5 + 0 0 29 -4,-4.0 3,-0.5 -79,-0.2 -3,-0.2 0.847 47.3 151.8 85.3 41.1 -7.8 -6.2 7.3 85 85 A S T 3 < + 0 0 102 -5,-0.8 -4,-0.1 1,-0.2 -5,-0.1 0.320 66.4 62.4 -91.5 8.7 -6.6 -8.6 9.9 86 86 A G T 3 S- 0 0 49 -6,-0.2 -1,-0.2 3,-0.1 -5,-0.1 0.702 86.7-152.1 -95.3 -27.6 -6.1 -5.8 12.4 87 87 A D < + 0 0 133 -3,-0.5 -2,-0.1 2,-0.1 -3,-0.0 0.867 42.5 147.9 52.4 41.2 -9.8 -4.9 12.4 88 88 A A 0 0 108 1,-0.3 -1,-0.1 -85,-0.0 -3,-0.0 0.699 360.0 360.0 -76.2 -20.1 -8.8 -1.4 13.2 89 89 A G 0 0 80 -5,-0.1 -1,-0.3 -87,-0.0 -87,-0.2 -0.887 360.0 360.0-177.2 360.0 -11.8 -0.0 11.3