==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR/INHIBITOR 13-JUN-11 3SFI . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TET . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FLIPO,M.DESROSES,N.LECAT-GUILLET,B.VILLEMAGNE,N.BLONDIAUX, . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 79.2 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 1 1 1 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 1 0 1 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 22 A G > 0 0 66 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.1 63.5 -16.8 -6.3 2 23 A D H > + 0 0 109 2,-0.2 4,-1.8 1,-0.1 5,-0.2 0.797 360.0 66.9 -78.0 -35.3 60.0 -15.4 -6.2 3 24 A D H > S+ 0 0 115 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.746 96.4 55.8 -63.4 -24.1 59.9 -15.2 -10.0 4 25 A R H >> S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.925 102.7 52.7 -73.6 -48.6 60.0 -19.0 -10.3 5 26 A E H 3X S+ 0 0 65 -4,-0.6 4,-2.3 1,-0.3 -2,-0.2 0.910 109.9 51.2 -50.1 -45.2 56.9 -19.5 -8.1 6 27 A L H 3X S+ 0 0 81 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.786 107.6 53.0 -62.4 -30.1 55.1 -17.1 -10.4 7 28 A A H S+ 0 0 34 1,-0.2 3,-1.6 2,-0.2 26,-0.0 0.875 119.6 61.6 -64.4 -39.9 44.6 -31.3 -13.3 22 43 A A T 3 S+ 0 0 78 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.871 104.5 47.0 -49.8 -45.3 44.7 -35.1 -13.6 23 44 A D T 3 S+ 0 0 100 -3,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.262 96.4 88.5 -91.6 16.3 46.5 -34.9 -17.0 24 45 A I < - 0 0 2 -3,-1.6 2,-0.3 4,-0.0 23,-0.1 -0.961 64.9-160.9-109.7 127.7 49.0 -32.3 -15.7 25 46 A S > - 0 0 46 -2,-0.5 4,-2.2 1,-0.1 3,-0.4 -0.785 31.1-118.1-104.2 150.2 52.1 -33.7 -14.1 26 47 A V H > S+ 0 0 14 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.864 119.4 55.2 -46.2 -40.3 54.5 -32.1 -11.7 27 48 A D H > S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.895 103.9 53.0 -64.4 -41.8 57.1 -32.7 -14.4 28 49 A D H > S+ 0 0 44 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.918 111.8 47.0 -50.6 -49.5 54.9 -30.8 -17.0 29 50 A L H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.867 113.0 47.4 -65.3 -40.5 54.8 -27.9 -14.5 30 51 A A H X>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.9 0.955 111.9 49.8 -64.9 -56.4 58.5 -27.9 -13.8 31 52 A K H ><5S+ 0 0 147 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.958 112.9 47.6 -38.9 -65.9 59.4 -28.1 -17.6 32 53 A G H 3<5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.7 49.4 -51.2 -38.1 57.1 -25.1 -18.3 33 54 A A H 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.557 113.1-120.0 -85.2 -6.3 58.5 -23.1 -15.5 34 55 A G T <<5S+ 0 0 69 -3,-2.0 2,-0.2 -4,-0.9 -3,-0.2 0.776 79.0 101.6 74.9 32.1 62.0 -23.8 -16.6 35 56 A I S - 0 0 60 -2,-0.2 4,-2.6 -3,-0.1 3,-0.2 -0.468 34.1-104.2 -97.2 171.0 63.5 -29.2 -12.4 37 58 A R H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.939 120.9 48.5 -59.5 -48.4 61.1 -31.5 -10.6 38 59 A P H 4 S+ 0 0 96 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.821 110.1 52.5 -66.2 -23.9 62.9 -31.3 -7.3 39 60 A T H >> S+ 0 0 39 2,-0.2 3,-1.9 -3,-0.2 4,-0.9 0.934 102.4 59.7 -73.1 -42.1 63.1 -27.5 -7.5 40 61 A F H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 3,-1.7 0.905 101.8 55.4 -39.7 -53.1 59.3 -27.4 -8.1 41 62 A Y H 3< S+ 0 0 101 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 94.4 65.6 -67.0 -16.8 58.9 -29.2 -4.7 42 63 A F H <4 S+ 0 0 164 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.863 112.7 34.3 -67.8 -34.0 60.8 -26.5 -3.0 43 64 A Y H << S+ 0 0 40 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.1 0.819 129.2 18.4 -90.1 -34.5 57.9 -24.1 -3.9 44 65 A F < - 0 0 8 -4,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.993 58.3-140.7-139.8 144.0 54.8 -26.3 -3.7 45 66 A P S S- 0 0 100 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.772 84.4 -11.7 -67.8 -27.8 54.0 -29.7 -2.1 46 67 A S S > S- 0 0 34 -6,-0.1 4,-0.5 1,-0.1 3,-0.1 -0.923 70.4 -95.9-163.1 174.9 51.9 -30.9 -5.0 47 68 A K H > S+ 0 0 42 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 0.805 123.0 59.0 -73.7 -23.7 50.2 -30.0 -8.2 48 69 A E H > S+ 0 0 91 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.735 99.1 55.3 -81.0 -27.0 47.1 -29.6 -6.1 49 70 A A H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.638 104.2 56.5 -75.1 -23.9 48.7 -27.0 -4.0 50 71 A V H X S+ 0 0 1 -4,-0.5 4,-2.7 -3,-0.4 -2,-0.2 0.951 106.8 47.6 -70.8 -53.6 49.4 -25.1 -7.2 51 72 A L H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.891 110.8 53.3 -49.2 -44.1 45.7 -25.1 -8.0 52 73 A L H X S+ 0 0 40 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.876 109.1 46.7 -63.6 -46.1 44.9 -23.9 -4.5 53 74 A T H X S+ 0 0 41 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.942 114.0 49.6 -61.9 -46.1 47.2 -21.0 -4.7 54 75 A L H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.913 112.3 45.9 -55.0 -47.7 45.8 -20.1 -8.1 55 76 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.910 110.4 56.6 -65.5 -36.9 42.2 -20.4 -6.9 56 77 A D H X S+ 0 0 67 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.842 106.4 47.4 -63.1 -37.3 43.2 -18.4 -3.9 57 78 A R H X S+ 0 0 129 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.878 113.6 48.0 -73.4 -37.6 44.5 -15.5 -5.9 58 79 A V H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.947 113.9 46.0 -64.1 -49.7 41.4 -15.4 -8.2 59 80 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.886 114.2 48.5 -66.4 -40.3 39.0 -15.5 -5.3 60 81 A N H X S+ 0 0 48 -4,-1.8 4,-3.4 -5,-0.3 -1,-0.2 0.881 109.0 53.2 -65.5 -38.3 40.9 -12.9 -3.4 61 82 A Q H X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 112.5 44.7 -60.5 -45.8 41.0 -10.7 -6.6 62 83 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.932 113.7 51.0 -59.5 -46.9 37.1 -11.0 -6.8 63 84 A D H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.958 111.8 45.8 -57.6 -52.0 36.9 -10.3 -3.1 64 85 A M H X S+ 0 0 106 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.928 110.2 53.5 -58.9 -43.7 39.1 -7.2 -3.4 65 86 A A H X S+ 0 0 35 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.948 109.4 49.9 -58.1 -44.1 37.2 -6.0 -6.4 66 87 A L H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.883 107.5 52.9 -60.9 -43.9 33.9 -6.3 -4.4 67 88 A Q H X S+ 0 0 85 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.906 106.2 54.7 -51.7 -46.0 35.4 -4.3 -1.4 68 89 A T H X S+ 0 0 84 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 110.1 47.1 -55.1 -47.2 36.3 -1.4 -3.8 69 90 A L H < S+ 0 0 48 -4,-1.7 5,-0.4 1,-0.2 -1,-0.2 0.918 111.6 50.2 -57.0 -50.8 32.7 -1.3 -4.9 70 91 A A H < S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.781 114.7 43.0 -58.1 -35.1 31.4 -1.4 -1.4 71 92 A E H < S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.805 116.2 46.9 -86.8 -35.1 33.7 1.5 -0.2 72 93 A N S < S- 0 0 108 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 -0.834 89.4-141.5-109.5 87.5 33.2 3.8 -3.3 73 94 A P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.310 11.0-136.1 -56.9 103.6 29.4 3.8 -4.0 74 95 A A - 0 0 58 -2,-0.5 2,-0.7 -5,-0.4 7,-0.0 -0.443 25.4-120.3 -60.0 132.4 28.7 3.8 -7.8 75 96 A D + 0 0 165 -2,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.681 66.8 86.3 -93.2 106.1 25.9 6.4 -8.4 76 97 A T S S- 0 0 70 -2,-0.7 2,-0.1 3,-0.0 0, 0.0 -0.913 73.7 -51.4-175.5-178.9 23.0 4.8 -9.9 77 98 A D > - 0 0 82 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.395 55.7-101.2 -80.7 163.6 19.7 2.9 -9.6 78 99 A R H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.862 120.8 55.3 -48.6 -43.4 19.2 -0.3 -7.6 79 100 A E H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 109.9 44.1 -63.2 -48.2 19.4 -2.4 -10.8 80 101 A N H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.867 108.9 56.9 -65.2 -36.6 22.7 -1.1 -11.9 81 102 A M H X S+ 0 0 65 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.953 111.3 43.0 -55.3 -53.1 24.2 -1.3 -8.4 82 103 A W H X S+ 0 0 19 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.917 113.1 52.4 -64.1 -43.9 23.4 -5.0 -8.2 83 104 A R H X S+ 0 0 48 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.901 105.7 54.9 -54.9 -48.3 24.6 -5.6 -11.8 84 105 A T H X S+ 0 0 44 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.891 110.9 46.3 -53.1 -40.3 27.9 -3.9 -11.0 85 106 A G H >X S+ 0 0 15 -4,-1.7 4,-0.8 2,-0.2 3,-0.6 0.921 113.3 45.9 -73.8 -43.8 28.4 -6.4 -8.1 86 107 A I H >X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 3,-1.0 0.932 106.7 62.7 -63.3 -36.2 27.5 -9.5 -10.1 87 108 A N H 3X S+ 0 0 51 -4,-3.3 4,-2.8 -5,-0.3 5,-0.3 0.795 92.3 64.7 -59.4 -26.6 29.8 -8.1 -12.8 88 109 A V H S+ 0 0 28 -3,-1.0 4,-2.3 -4,-0.8 5,-0.6 0.883 115.0 53.1 -79.5 -41.7 32.4 -12.2 -10.3 90 111 A F H X5S+ 0 0 31 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.912 118.6 37.6 -61.0 -44.3 31.4 -12.6 -14.0 91 112 A E H X5S+ 0 0 94 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.906 118.3 46.9 -70.1 -48.9 34.5 -10.6 -15.0 92 113 A T H ><5S+ 0 0 10 -4,-2.3 3,-0.7 -5,-0.3 4,-0.2 0.987 122.7 33.3 -64.9 -55.6 36.9 -11.9 -12.5 93 114 A F H ><5S+ 0 0 4 -4,-2.3 3,-1.6 1,-0.2 7,-0.3 0.875 114.1 60.0 -69.0 -35.2 36.1 -15.6 -12.9 94 115 A G H 3< S+ 0 0 37 -3,-1.6 4,-2.9 -4,-0.2 -1,-0.2 -0.311 70.6 149.7-138.7 54.8 40.2 -17.2 -15.2 97 118 A K H > S+ 0 0 71 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.824 71.5 48.3 -65.0 -42.5 37.9 -20.0 -16.6 98 119 A A H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.937 115.1 45.8 -64.5 -46.3 40.4 -22.9 -16.3 99 120 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 115.5 47.3 -64.1 -46.5 41.3 -22.0 -12.7 100 121 A T H X S+ 0 0 2 -4,-2.9 4,-2.4 -7,-0.3 -2,-0.2 0.972 114.2 46.0 -49.8 -59.4 37.6 -21.5 -11.8 101 122 A R H X S+ 0 0 95 -4,-3.1 4,-2.2 1,-0.3 -2,-0.2 0.908 118.0 42.7 -61.5 -44.2 36.5 -24.8 -13.5 102 123 A A H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.822 111.5 54.9 -67.3 -35.0 39.4 -26.7 -11.9 103 124 A G H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.835 108.1 50.2 -71.2 -30.2 38.9 -25.0 -8.6 104 125 A Q H >< S+ 0 0 32 -4,-2.4 3,-1.7 -5,-0.2 4,-0.4 0.965 110.9 47.6 -69.0 -48.5 35.3 -26.1 -8.6 105 126 A A H >< S+ 0 0 70 -4,-2.2 3,-1.2 1,-0.3 4,-0.3 0.861 104.7 59.8 -65.8 -30.8 36.1 -29.7 -9.4 106 127 A A T 3X S+ 0 0 12 -4,-2.0 4,-2.8 1,-0.3 8,-0.3 0.468 84.6 81.3 -77.1 1.1 38.8 -29.9 -6.7 107 128 A R T <4 S+ 0 0 87 -3,-1.7 -1,-0.3 1,-0.2 7,-0.2 0.845 91.1 50.9 -67.6 -36.1 36.2 -29.1 -4.1 108 129 A A T <4 S+ 0 0 100 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.748 123.1 30.8 -66.8 -24.3 35.1 -32.7 -4.1 109 130 A T T 4 S+ 0 0 119 -4,-0.3 2,-0.5 1,-0.2 -2,-0.2 0.680 111.3 58.6-116.7 -33.3 38.7 -33.8 -3.6 110 131 A S X - 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