==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 22-DEC-08 3FMY . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR MQSA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR R.PAGE,B.L.BROWN,J.M.ARRUDA,W.PETI . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 65.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.0 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 1 0 1 0 1 0 1 0 0 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 66 A A 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.6 9.8 4.0 -10.6 2 67 A E - 0 0 67 1,-0.1 2,-0.2 44,-0.0 47,-0.1 -0.376 360.0-145.6 -59.0 136.9 12.9 6.0 -9.5 3 68 A T - 0 0 106 -2,-0.1 2,-0.3 40,-0.0 -1,-0.1 -0.684 10.3-156.1-109.2 168.4 15.1 3.8 -7.4 4 69 A V - 0 0 26 -2,-0.2 45,-0.0 40,-0.0 3,-0.0 -0.994 20.2-117.5-145.2 136.6 17.3 4.6 -4.5 5 70 A A >> - 0 0 51 -2,-0.3 4,-1.5 1,-0.1 3,-1.0 -0.616 22.4-132.2 -73.7 134.9 20.4 3.0 -2.9 6 71 A P H 3> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.877 108.4 59.6 -53.2 -34.9 19.8 1.8 0.7 7 72 A E H 3> S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.816 101.0 54.5 -64.0 -32.0 23.1 3.5 1.6 8 73 A F H <> S+ 0 0 48 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.901 105.7 52.2 -67.2 -40.6 21.6 6.8 0.5 9 74 A I H X S+ 0 0 1 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.943 111.4 46.6 -60.6 -48.2 18.6 6.3 2.8 10 75 A V H X S+ 0 0 38 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.928 110.9 53.7 -59.1 -45.6 20.9 5.7 5.7 11 76 A K H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.931 112.7 41.2 -55.7 -50.7 23.0 8.7 4.8 12 77 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.930 113.3 53.0 -70.0 -43.0 20.1 11.2 4.7 13 78 A R H <>S+ 0 0 28 -4,-2.6 5,-2.2 -5,-0.2 -1,-0.2 0.926 113.4 43.8 -56.4 -45.8 18.4 9.7 7.8 14 79 A K H ><5S+ 0 0 133 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 0.902 108.6 57.5 -69.1 -37.7 21.6 10.1 9.8 15 80 A K H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.2 48.8 -56.7 -34.8 22.2 13.6 8.4 16 81 A L T 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.373 113.1-123.3 -86.1 1.0 18.8 14.6 9.8 17 82 A S T < 5 + 0 0 104 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.858 61.8 146.0 56.0 40.7 19.7 13.0 13.2 18 83 A L < - 0 0 6 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.1 -0.847 46.1-133.0-104.8 145.6 16.6 10.7 13.0 19 84 A T > - 0 0 67 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.458 33.7-106.8 -80.1 166.0 16.2 7.2 14.3 20 85 A Q H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 14,-0.4 0.914 123.7 52.1 -58.2 -40.2 14.7 4.6 12.1 21 86 A K H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.7 46.4 -62.5 -46.4 11.6 4.8 14.2 22 87 A E H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 112.3 50.4 -61.9 -44.4 11.4 8.6 13.9 23 88 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.913 109.3 51.0 -61.0 -43.4 12.0 8.4 10.1 24 89 A S H X S+ 0 0 5 -4,-2.5 4,-1.7 -5,-0.2 6,-0.4 0.900 112.3 47.5 -63.3 -38.7 9.2 5.8 9.7 25 90 A E H < S+ 0 0 120 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.9 40.6 -65.3 -46.2 6.8 8.1 11.7 26 91 A I H < S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.944 127.2 30.7 -68.5 -49.6 7.7 11.2 9.8 27 92 A F H < S- 0 0 25 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.700 104.3-134.0 -87.9 -20.6 7.9 9.7 6.3 28 93 A G < + 0 0 30 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.216 60.4 123.9 90.3 176.0 5.3 6.9 6.6 29 94 A G S S- 0 0 48 -4,-0.1 3,-0.2 4,-0.1 -4,-0.1 0.298 82.4 -74.6 113.7 -7.4 5.5 3.3 5.6 30 95 A G > - 0 0 46 -6,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.178 64.0 -59.9 100.6 167.0 4.7 1.7 9.0 31 96 A V T 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 -7,-0.2 0.812 134.3 36.4 -55.8 -42.7 6.8 1.1 12.2 32 97 A N T 3> S+ 0 0 102 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.147 83.3 115.4 -97.7 15.1 9.6 -1.0 10.6 33 98 A A H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.939 79.0 40.2 -53.4 -57.5 9.6 0.9 7.2 34 99 A F H > S+ 0 0 0 -14,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.850 109.2 60.4 -68.3 -31.4 13.2 2.3 7.5 35 100 A S H > S+ 0 0 34 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.933 112.6 40.0 -56.0 -46.0 14.6 -0.8 9.0 36 101 A R H ><>S+ 0 0 107 -4,-2.1 5,-2.1 1,-0.2 3,-0.6 0.901 113.9 52.5 -70.0 -43.4 13.5 -2.6 5.8 37 102 A Y H ><5S+ 0 0 16 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.909 107.3 52.0 -59.1 -41.1 14.4 0.2 3.4 38 103 A E H 3<5S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.665 108.7 50.9 -76.3 -16.4 18.0 0.4 4.8 39 104 A K T <<5S- 0 0 147 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.375 114.5-118.5 -89.8 -3.9 18.4 -3.4 4.3 40 105 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.650 82.1 119.6 74.3 16.3 17.2 -3.0 0.6 41 106 A N S > - 0 0 116 1,-0.1 4,-2.1 -17,-0.1 3,-0.9 -0.286 40.1-111.5 -55.2 144.7 7.2 5.2 -1.7 46 111 A P H 3> S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.856 119.5 53.0 -50.7 -38.8 8.1 7.6 -4.6 47 112 A S H 3> S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.819 105.8 53.5 -67.2 -33.3 7.3 10.6 -2.4 48 113 A T H <> S+ 0 0 8 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.944 109.7 47.9 -64.3 -45.4 9.6 9.3 0.3 49 114 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 115.0 45.2 -57.0 -50.5 12.5 9.0 -2.1 50 115 A K H X S+ 0 0 102 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.903 112.9 49.8 -65.6 -38.6 11.9 12.5 -3.5 51 116 A L H X S+ 0 0 60 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.897 109.8 51.5 -67.1 -39.9 11.5 14.0 -0.1 52 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.899 108.7 51.6 -61.8 -38.9 14.7 12.4 1.1 53 118 A R H X S+ 0 0 96 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.909 110.8 48.0 -65.1 -39.1 16.5 13.8 -2.0 54 119 A V H X S+ 0 0 64 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.937 112.6 48.5 -62.7 -47.0 15.2 17.3 -1.2 55 120 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.800 102.8 61.7 -67.2 -28.6 16.3 17.0 2.4 56 121 A D H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 115.6 33.5 -61.8 -38.7 19.7 15.7 1.5 57 122 A K H < S+ 0 0 152 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.792 135.0 26.7 -83.9 -31.8 20.3 19.1 -0.3 58 123 A H >< + 0 0 91 -4,-2.4 3,-2.1 -5,-0.1 -1,-0.2 -0.598 65.9 166.9-133.9 66.3 18.2 21.2 2.1 59 124 A P G > + 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.761 69.8 73.3 -61.3 -22.6 18.3 19.5 5.5 60 125 A E G > S+ 0 0 115 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.748 78.4 77.9 -61.8 -21.9 16.9 22.6 7.2 61 126 A L G X> S+ 0 0 45 -3,-2.1 3,-1.6 1,-0.3 4,-0.6 0.650 70.2 83.1 -64.6 -11.2 13.5 21.8 5.6 62 127 A L H X> S+ 0 0 18 -3,-2.0 4,-2.1 1,-0.3 3,-1.4 0.899 83.4 62.3 -56.1 -33.1 13.1 19.1 8.3 63 128 A N H <4 S+ 0 0 147 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 100.3 52.9 -68.3 -15.5 11.8 22.0 10.5 64 129 A E H <4 S+ 0 0 158 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.640 119.4 30.9 -90.0 -14.8 9.0 22.5 8.0 65 130 A I H << 0 0 67 -3,-1.4 -2,-0.2 -4,-0.6 -3,-0.1 0.622 360.0 360.0-119.3 -18.8 7.8 18.9 8.1 66 131 A R < 0 0 176 -4,-2.1 -40,-0.0 -5,-0.1 -4,-0.0 -0.377 360.0 360.0 -76.0 360.0 8.4 17.3 11.5