==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 10-AUG-07 2QWT . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM VANBAALENII PYR-1; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,J.ADAMS,R.ROMERO,D.SMITH, . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 79.6 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 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 3 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 2 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 4 A P > 0 0 118 0, 0.0 4,-1.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -59.2 23.9 27.3 -6.3 2 5 A L H > + 0 0 147 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.757 360.0 58.7 -70.6 -28.8 20.8 29.5 -5.5 3 6 A R H > S+ 0 0 207 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 108.3 44.2 -53.8 -48.7 19.1 26.1 -6.0 4 7 A A H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.767 107.8 56.4 -77.9 -30.5 21.3 24.8 -3.2 5 8 A D H X S+ 0 0 59 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.946 110.8 46.0 -55.8 -52.0 20.8 27.8 -1.0 6 9 A A H X S+ 0 0 35 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.919 111.6 51.6 -57.9 -48.3 17.0 27.1 -1.2 7 10 A A H X S+ 0 0 62 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.877 113.2 44.5 -58.1 -42.3 17.6 23.4 -0.6 8 11 A R H X S+ 0 0 114 -4,-2.2 4,-2.4 2,-0.2 -1,-0.3 0.884 113.3 53.1 -65.2 -39.3 19.7 24.3 2.5 9 12 A N H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.944 110.0 43.4 -69.1 -44.8 17.1 26.8 3.6 10 13 A R H X S+ 0 0 98 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.864 112.7 52.3 -70.8 -32.4 14.1 24.5 3.5 11 14 A A H X S+ 0 0 41 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.894 110.0 50.9 -65.5 -41.5 15.9 21.6 5.2 12 15 A R H X S+ 0 0 86 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.953 112.3 45.7 -54.9 -52.6 16.9 24.1 7.9 13 16 A V H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.919 111.6 51.8 -60.7 -45.1 13.3 25.2 8.3 14 17 A L H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.908 111.4 47.2 -59.5 -42.0 11.9 21.6 8.3 15 18 A E H X S+ 0 0 116 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 113.9 46.2 -72.1 -42.0 14.3 20.5 11.0 16 19 A V H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.902 113.5 50.0 -60.1 -43.8 13.6 23.5 13.2 17 20 A A H X S+ 0 0 0 -4,-3.0 4,-3.5 2,-0.2 5,-0.3 0.916 108.5 53.6 -65.8 -39.1 9.8 23.0 12.6 18 21 A Y H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.948 112.1 44.0 -54.7 -51.5 10.2 19.3 13.5 19 22 A D H X S+ 0 0 81 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.853 115.1 49.0 -63.5 -40.4 11.9 20.3 16.8 20 23 A T H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-1.7 0.915 112.3 47.6 -67.0 -43.5 9.3 23.0 17.4 21 24 A F H <5S+ 0 0 2 -4,-3.5 -2,-0.2 3,-0.2 -1,-0.2 0.920 112.5 51.9 -62.2 -38.0 6.4 20.7 16.7 22 25 A A H <5S+ 0 0 30 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.977 123.5 23.0 -64.4 -55.0 8.0 18.1 19.0 23 26 A A H <5S+ 0 0 82 -4,-2.4 -3,-0.2 2,-0.1 -2,-0.2 0.935 139.6 11.1 -84.4 -52.0 8.5 20.3 22.0 24 27 A E T <5S- 0 0 103 -4,-1.7 3,-0.4 -5,-0.3 2,-0.3 0.792 87.1-153.4-102.6 -34.5 6.0 23.2 21.9 25 28 A G > < - 0 0 16 -5,-2.8 3,-0.7 1,-0.2 -1,-0.2 -0.687 52.5 -22.8 101.2-150.4 3.5 22.4 19.1 26 29 A L T 3 S+ 0 0 55 -2,-0.3 -1,-0.2 1,-0.2 -5,-0.1 0.448 113.4 83.5 -85.5 -6.7 1.4 24.7 16.8 27 30 A G T 3 + 0 0 77 -3,-0.4 -1,-0.2 -6,-0.1 -2,-0.1 0.727 68.2 94.7 -65.4 -23.8 1.4 27.6 19.2 28 31 A V S < S- 0 0 13 -3,-0.7 5,-0.0 -8,-0.1 -8,-0.0 -0.545 80.2-120.0 -76.7 126.7 4.9 28.9 17.9 29 32 A P >> - 0 0 75 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.294 13.9-120.6 -67.0 151.5 4.6 31.5 15.2 30 33 A M H 3> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.800 113.2 63.6 -53.2 -35.4 6.0 31.0 11.8 31 34 A D H 3> S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.846 106.4 41.4 -56.7 -42.8 8.1 34.2 12.5 32 35 A E H <> S+ 0 0 34 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.820 112.7 52.7 -81.0 -34.9 9.9 32.5 15.4 33 36 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.919 111.6 49.9 -54.6 -47.9 10.2 29.3 13.4 34 37 A A H ><>S+ 0 0 2 -4,-2.9 5,-0.9 1,-0.2 3,-0.9 0.969 111.1 48.1 -57.2 -50.1 11.8 31.6 10.7 35 38 A R H ><5S+ 0 0 175 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.766 109.2 50.9 -62.3 -33.3 14.1 33.2 13.3 36 39 A R H 3<5S+ 0 0 98 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.685 107.5 54.6 -82.1 -18.5 15.4 29.9 14.7 37 40 A A T <<5S- 0 0 2 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.497 112.3-119.5 -86.5 -6.2 16.2 28.6 11.3 38 41 A G T < 5S+ 0 0 59 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.995 80.2 101.7 58.9 63.0 18.4 31.6 10.5 39 42 A V S > - 0 0 41 -2,-0.3 4,-1.3 -3,-0.1 3,-0.6 -0.554 31.8-111.7 -92.0 162.4 13.4 35.3 7.1 41 44 A A H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.795 110.6 57.6 -64.8 -32.0 9.7 34.8 7.3 42 45 A G H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 104.5 54.2 -73.1 -29.7 8.8 35.3 3.6 43 46 A T H <> S+ 0 0 51 -3,-0.6 4,-1.5 2,-0.2 5,-0.3 0.892 108.6 47.0 -64.3 -46.6 11.1 32.6 2.6 44 47 A V H >X S+ 0 0 0 -4,-1.3 4,-5.0 1,-0.2 3,-0.7 0.972 115.4 47.8 -55.8 -53.9 9.4 30.2 5.0 45 48 A Y H 3< S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 104.5 59.8 -60.4 -33.8 6.1 31.4 3.6 46 49 A R H 3< S+ 0 0 205 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 121.7 26.0 -62.2 -36.8 7.4 31.0 -0.1 47 50 A H H << S+ 0 0 47 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.805 136.0 35.3 -90.7 -37.9 8.0 27.3 0.5 48 51 A F < + 0 0 3 -4,-5.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.811 65.1 177.9-123.9 90.7 5.4 27.0 3.2 49 52 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.741 73.7 18.7 -65.8 -28.1 2.4 29.3 2.4 50 53 A T S > S- 0 0 73 -3,-0.1 4,-1.1 1,-0.1 5,-0.1 -0.880 81.1-110.4-133.7 169.6 0.6 28.2 5.5 51 54 A K H > S+ 0 0 32 -2,-0.3 4,-2.7 2,-0.2 3,-0.2 0.880 115.7 53.8 -65.6 -42.7 1.3 26.4 8.8 52 55 A Q H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 105.3 55.2 -65.0 -27.0 -0.4 23.2 7.9 53 56 A A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.832 108.5 48.5 -71.7 -33.5 1.7 23.0 4.7 54 57 A L H X S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.2 5,-0.2 0.943 110.7 51.5 -63.9 -51.8 4.8 23.2 6.9 55 58 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.892 112.5 45.3 -51.9 -44.7 3.3 20.5 9.1 56 59 A V H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.943 112.3 50.7 -72.5 -38.5 2.7 18.3 6.1 57 60 A A H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.846 110.9 49.3 -62.5 -35.3 6.2 19.0 4.7 58 61 A V H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.932 109.8 53.1 -64.3 -45.9 7.7 18.1 8.1 59 62 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.906 111.6 43.5 -55.9 -47.8 5.7 14.9 8.0 60 63 A E H X S+ 0 0 38 -4,-2.2 4,-2.7 54,-0.2 5,-0.2 0.942 114.6 50.9 -59.8 -50.8 6.9 13.8 4.5 61 64 A D H X S+ 0 0 32 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.895 109.9 48.6 -56.4 -45.8 10.5 14.7 5.4 62 65 A R H X S+ 0 0 44 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.878 110.4 51.3 -64.0 -40.7 10.5 12.8 8.7 63 66 A V H X S+ 0 0 24 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.4 46.9 -59.8 -46.2 9.1 9.7 6.9 64 67 A R H X S+ 0 0 146 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 111.3 52.5 -63.6 -39.7 11.9 10.0 4.3 65 68 A R H X S+ 0 0 131 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.832 106.2 51.5 -65.3 -38.2 14.4 10.4 7.1 66 69 A I H X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.913 111.4 49.5 -63.0 -41.1 13.2 7.3 8.9 67 70 A V H X S+ 0 0 34 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.890 113.0 45.9 -65.9 -38.0 13.6 5.3 5.6 68 71 A D H X S+ 0 0 95 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.896 107.7 57.4 -72.1 -39.0 17.1 6.7 5.0 69 72 A H H X S+ 0 0 70 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.946 104.2 52.7 -53.1 -52.1 18.1 6.0 8.6 70 73 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.878 111.0 46.4 -49.0 -49.0 17.3 2.3 8.2 71 74 A R H X S+ 0 0 160 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.824 112.2 50.2 -66.4 -35.9 19.5 2.0 5.0 72 75 A T H X S+ 0 0 87 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.937 111.1 51.0 -65.9 -45.7 22.4 3.9 6.7 73 76 A L H X>S+ 0 0 12 -4,-3.1 4,-3.3 2,-0.2 5,-0.8 0.886 106.2 52.6 -57.8 -43.5 22.0 1.5 9.7 74 77 A L H X5S+ 0 0 42 -4,-2.1 4,-1.1 3,-0.2 -1,-0.2 0.930 116.0 42.1 -59.8 -47.4 22.1 -1.6 7.4 75 78 A A H <5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.968 122.5 37.9 -56.9 -56.8 25.4 -0.2 6.0 76 79 A A H <5S+ 0 0 71 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.784 130.8 24.6 -73.1 -36.3 26.9 0.9 9.2 77 80 A E H <5S- 0 0 99 -4,-3.3 4,-0.4 -5,-0.2 -3,-0.2 0.623 105.1-126.3-104.8 -21.8 25.8 -1.8 11.6 78 81 A G >X< - 0 0 17 -4,-1.1 4,-1.9 -5,-0.8 3,-0.7 -0.002 33.8 -69.1 86.5 162.3 25.3 -4.7 9.2 79 82 A P H 3> S+ 0 0 68 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.870 126.6 61.0 -58.9 -41.6 22.4 -7.0 8.5 80 83 A G H 34 S+ 0 0 14 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.840 120.2 16.7 -48.6 -48.5 22.8 -8.7 11.9 81 84 A E H <> S+ 0 0 60 -3,-0.7 4,-2.0 -4,-0.4 5,-0.2 0.495 95.7 93.4-112.7 -10.5 22.3 -5.7 14.2 82 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.838 84.9 54.5 -62.8 -35.2 20.6 -3.0 12.1 83 86 A L H X S+ 0 0 0 -4,-0.5 4,-2.3 46,-0.3 -1,-0.2 0.923 108.5 49.1 -63.7 -45.9 17.0 -4.0 13.1 84 87 A F H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 113.3 46.2 -60.7 -45.7 17.8 -3.7 16.8 85 88 A V H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.889 112.7 51.3 -60.6 -40.7 19.5 -0.3 16.4 86 89 A F H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.920 110.1 47.4 -65.5 -39.3 16.6 0.9 14.3 87 90 A M H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.912 112.0 50.1 -72.7 -42.0 13.9 -0.2 16.8 88 91 A R H X S+ 0 0 110 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.915 110.9 50.7 -60.1 -43.1 15.8 1.4 19.7 89 92 A D H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.787 107.7 51.7 -61.8 -37.4 16.1 4.6 17.6 90 93 A M H X S+ 0 0 33 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.906 111.9 49.1 -64.7 -39.1 12.3 4.6 16.9 91 94 A V H >< S+ 0 0 74 -4,-2.0 3,-1.6 2,-0.2 4,-0.3 0.969 110.7 47.5 -64.0 -58.4 11.8 4.2 20.7 92 95 A R H >< S+ 0 0 217 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.914 113.7 50.2 -46.0 -45.1 14.2 7.1 21.6 93 96 A S H 3X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.533 81.5 98.1 -82.8 0.2 12.4 9.3 18.9 94 97 A A H S+ 0 0 77 -3,-0.6 4,-1.1 -4,-0.3 -1,-0.2 0.901 112.3 45.7 -58.7 -45.6 8.4 11.8 22.2 96 99 A A H >> S+ 0 0 24 -4,-0.3 4,-1.3 -3,-0.3 3,-0.7 0.947 112.6 47.9 -63.0 -49.5 9.4 13.9 19.2 97 100 A D H 3X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.748 103.8 63.9 -71.8 -28.0 7.2 12.0 16.7 98 101 A Y H 3X S+ 0 0 166 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.855 102.8 48.6 -39.2 -51.1 4.3 12.4 19.3 99 102 A G H <>S+ 0 0 5 -4,-2.3 5,-2.9 1,-0.2 3,-0.7 0.855 112.4 52.1 -66.5 -33.9 -0.9 16.6 12.1 105 108 A V H ><5S+ 0 0 86 -4,-3.4 3,-3.1 1,-0.2 -2,-0.2 0.900 96.1 64.5 -67.3 -42.2 -4.0 16.0 14.2 106 109 A G T 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.654 108.5 43.9 -59.2 -13.7 -4.6 19.7 14.9 107 110 A Y T < 5S- 0 0 73 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.227 119.0-109.8-113.7 11.5 -5.3 20.0 11.2 108 111 A G T < 5S+ 0 0 70 -3,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.830 74.5 139.8 60.7 34.0 -7.4 16.9 10.9 109 112 A L < - 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