==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 21-JAN-09 3FXR . COMPND 2 MOLECULE: LYSR TYPE REGULATOR OF TSAMBCD; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR D.MONFERRER,T.TRALAU,M.A.KERTESZ,A.KIKHNEY,D.SVERGUN,I.USON . 592 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 9.5 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 . 2 0.3 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 . 24 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 5 2 1 0 2 0 0 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 2 1 1 1 1 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 4 2 2 0 2 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 . 2 4 0 2 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 87 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.5 8.6 44.8 18.4 2 2 A L >> - 0 0 64 1,-0.1 4,-1.8 3,-0.1 3,-0.7 -0.174 360.0-132.7 -42.5 123.1 6.2 46.2 21.1 3 3 A K H 3> S+ 0 0 78 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 102.9 57.3 -55.6 -40.6 3.5 48.2 19.3 4 4 A L H 3> S+ 0 0 5 295,-0.4 4,-2.7 2,-0.2 -1,-0.3 0.879 106.4 49.5 -61.0 -37.2 3.8 51.2 21.6 5 5 A Q H <> S+ 0 0 62 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.885 110.1 52.2 -70.3 -33.8 7.4 51.6 20.7 6 6 A T H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.951 112.6 43.9 -59.1 -50.2 6.5 51.3 17.0 7 7 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.940 112.4 52.7 -64.6 -46.9 3.8 54.1 17.4 8 8 A Q H X S+ 0 0 80 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.863 109.4 50.8 -48.1 -42.6 6.2 56.2 19.5 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.896 106.8 51.9 -67.3 -41.2 8.8 55.8 16.6 10 10 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 107.9 53.2 -61.9 -40.4 6.3 56.9 14.0 11 11 A I H X S+ 0 0 20 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.939 112.4 44.8 -57.1 -46.9 5.6 60.0 16.1 12 12 A C H X S+ 0 0 7 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.884 109.5 55.7 -63.0 -40.9 9.4 60.6 16.1 13 13 A I H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.879 104.4 53.8 -60.8 -40.7 9.6 59.9 12.4 14 14 A E H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 115.0 40.9 -58.0 -39.9 7.0 62.6 11.7 15 15 A E H < S+ 0 0 127 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 126.1 29.1 -80.5 -42.3 9.1 65.1 13.6 16 16 A V H < S- 0 0 66 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.487 95.9-130.8-104.5 -5.7 12.7 64.3 12.5 17 17 A G S < S+ 0 0 27 -4,-1.9 39,-1.5 -5,-0.3 2,-0.3 0.634 71.3 87.6 74.3 18.8 12.0 63.0 9.0 18 18 A S > - 0 0 19 37,-0.2 4,-1.8 -6,-0.2 -2,-0.1 -0.946 56.7-156.3-154.8 129.4 14.0 59.7 9.1 19 19 A L H > S+ 0 0 37 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.923 105.5 51.0 -59.0 -50.9 13.4 56.1 10.2 20 20 A R H > S+ 0 0 156 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.944 112.1 46.1 -51.8 -54.6 17.1 55.7 10.7 21 21 A A H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.818 111.7 51.9 -61.5 -35.2 17.3 58.9 12.9 22 22 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 106.8 51.6 -70.9 -44.0 14.3 57.9 14.9 23 23 A A H <>S+ 0 0 0 -4,-2.5 5,-3.6 1,-0.2 -2,-0.2 0.865 111.8 47.8 -58.1 -39.7 15.6 54.4 15.8 24 24 A Q H <5S+ 0 0 151 -4,-1.7 3,-0.5 3,-0.2 -1,-0.2 0.840 111.3 51.6 -70.9 -33.3 18.9 55.9 17.0 25 25 A L H <5S+ 0 0 97 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.5 37.6 -71.5 -39.4 17.0 58.6 19.1 26 26 A L T <5S- 0 0 57 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.264 113.9-114.9 -97.8 10.7 14.8 56.1 20.9 27 27 A H T 5 + 0 0 177 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.902 68.0 141.5 52.9 48.7 17.6 53.5 21.2 28 28 A L < - 0 0 28 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.862 59.2 -98.0-115.0 153.8 15.8 51.0 18.9 29 29 A S > - 0 0 63 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.526 24.7-144.0 -69.7 131.0 17.3 48.7 16.3 30 30 A Q H > S+ 0 0 79 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.968 101.0 45.8 -61.7 -56.5 17.0 50.0 12.7 31 31 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.790 115.9 48.4 -56.0 -30.5 16.4 46.6 11.0 32 32 A A H > S+ 0 0 42 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.919 113.6 44.7 -76.7 -44.0 13.9 45.8 13.8 33 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.907 112.6 52.2 -63.1 -44.9 12.0 49.1 13.6 34 34 A S H X S+ 0 0 59 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 111.9 46.3 -58.3 -45.3 11.9 48.9 9.8 35 35 A A H X S+ 0 0 58 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.849 111.5 52.6 -66.0 -36.3 10.5 45.4 10.0 36 36 A A H X S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.944 110.7 45.4 -64.2 -50.3 7.9 46.5 12.6 37 37 A I H X S+ 0 0 4 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.938 114.1 50.6 -57.9 -47.7 6.6 49.4 10.5 38 38 A Q H X S+ 0 0 99 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.4 48.5 -54.3 -49.6 6.5 47.1 7.5 39 39 A Q H X S+ 0 0 126 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 112.6 48.9 -58.0 -46.3 4.6 44.5 9.4 40 40 A L H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 109.5 52.2 -59.6 -45.9 2.2 47.2 10.6 41 41 A E H X>S+ 0 0 32 -4,-2.9 4,-1.9 2,-0.2 5,-1.5 0.852 107.7 52.0 -57.3 -39.1 1.7 48.4 7.0 42 42 A D H <5S+ 0 0 97 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.904 111.8 45.8 -66.7 -42.9 0.9 44.9 5.8 43 43 A E H <5S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 117.4 44.1 -63.1 -37.7 -1.8 44.6 8.5 44 44 A L H <5S- 0 0 8 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.730 103.1-137.1 -79.6 -22.6 -3.1 48.1 7.6 45 45 A K T <5S+ 0 0 151 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.765 74.0 78.8 65.8 30.2 -2.8 47.3 3.9 46 46 A A S - 0 0 22 -11,-1.8 4,-2.4 -2,-0.2 5,-0.2 -0.246 36.0 -90.3 -73.5 178.4 1.6 59.3 3.4 60 60 A S H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.894 135.6 46.7 -55.4 -41.5 -2.0 60.4 3.4 61 61 A F H > S+ 0 0 43 -14,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.846 109.3 56.5 -70.0 -32.6 -2.8 57.1 5.2 62 62 A G H > S+ 0 0 0 -15,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.884 106.1 48.4 -65.4 -41.8 0.1 57.9 7.6 63 63 A Q H X S+ 0 0 118 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.874 113.3 47.7 -67.9 -37.9 -1.4 61.3 8.5 64 64 A A H X S+ 0 0 15 -4,-1.7 4,-0.8 1,-0.2 3,-0.4 0.922 114.8 46.0 -64.8 -45.5 -4.8 59.7 9.1 65 65 A F H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.840 101.9 65.4 -68.1 -36.4 -3.2 57.0 11.2 66 66 A M H X S+ 0 0 5 -4,-2.2 4,-3.4 1,-0.2 -1,-0.2 0.802 93.1 60.5 -61.3 -34.0 -1.0 59.3 13.3 67 67 A K H X S+ 0 0 131 -4,-0.9 4,-1.7 -3,-0.4 -1,-0.2 0.937 110.8 41.2 -58.7 -45.8 -3.9 61.0 14.9 68 68 A H H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.942 114.8 52.4 -64.0 -48.2 -5.0 57.7 16.4 69 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.887 107.2 52.2 -54.1 -44.6 -1.3 56.8 17.2 70 70 A R H X S+ 0 0 99 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.910 111.2 47.1 -61.5 -41.8 -0.8 60.1 19.0 71 71 A L H X S+ 0 0 27 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.849 111.3 50.6 -68.0 -37.1 -3.9 59.4 21.2 72 72 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.873 111.5 47.8 -68.9 -38.4 -2.9 55.8 21.9 73 73 A V H X S+ 0 0 17 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.940 115.0 46.5 -67.9 -44.6 0.6 56.9 23.0 74 74 A T H X S+ 0 0 41 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.904 110.7 51.2 -62.7 -44.4 -0.9 59.7 25.2 75 75 A E H X S+ 0 0 12 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.924 108.8 52.6 -61.6 -43.5 -3.5 57.4 26.8 76 76 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 110.3 47.7 -56.4 -44.4 -0.7 54.9 27.6 77 77 A R H X S+ 0 0 122 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.959 113.6 47.3 -63.3 -48.3 1.3 57.6 29.3 78 78 A R H X S+ 0 0 114 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.897 110.9 51.6 -60.6 -44.2 -1.8 58.8 31.3 79 79 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.942 110.7 47.7 -55.2 -50.8 -2.8 55.3 32.3 80 80 A Q H X S+ 0 0 66 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.870 114.1 48.9 -63.6 -33.5 0.7 54.6 33.7 81 81 A E H X S+ 0 0 104 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.899 110.2 48.8 -71.6 -44.1 0.5 58.0 35.5 82 82 A E H >X S+ 0 0 65 -4,-3.2 4,-2.4 2,-0.2 3,-0.5 0.979 117.5 41.2 -58.0 -54.6 -2.9 57.4 37.1 83 83 A I H 3X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.851 109.5 59.5 -66.4 -34.0 -2.0 54.0 38.3 84 84 A G H 3X S+ 0 0 22 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.852 110.4 43.3 -59.2 -36.9 1.5 55.2 39.4 85 85 A Q H < S+ 0 0 74 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.961 115.7 40.5 -62.2 -56.0 -0.9 52.4 48.2 91 91 A E H 3< S+ 0 0 33 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.782 109.0 62.3 -67.9 -28.8 2.7 51.3 48.6 92 92 A G T 3< S+ 0 0 13 -4,-1.6 30,-2.7 -5,-0.3 2,-0.3 0.303 99.2 62.5 -82.1 9.2 3.7 54.5 50.5 93 93 A H E < +b 122 0B 96 -3,-1.2 2,-0.4 28,-0.2 30,-0.2 -0.999 52.1 179.1-141.2 131.8 1.3 53.7 53.5 94 94 A I E -b 123 0B 1 28,-2.1 30,-2.4 -2,-0.3 2,-0.4 -1.000 3.6-176.0-129.0 132.9 1.1 51.0 56.1 95 95 A T E +b 124 0B 39 -2,-0.4 48,-2.4 28,-0.2 49,-0.8 -0.970 20.2 150.9-131.2 118.6 -1.4 50.8 58.9 96 96 A F E -bc 125 144B 0 28,-2.2 30,-1.9 -2,-0.4 2,-0.4 -0.869 36.6-126.5-142.3 170.4 -1.2 48.0 61.5 97 97 A A E -bc 126 145B 0 47,-1.5 49,-3.7 -2,-0.3 2,-0.4 -0.969 23.5-163.5-123.8 138.8 -1.9 47.0 65.1 98 98 A A E -bc 127 146B 2 28,-2.7 30,-1.4 -2,-0.4 49,-0.2 -0.943 19.0-121.5-126.5 144.5 0.5 45.5 67.5 99 99 A S > - 0 0 10 47,-2.0 4,-2.1 -2,-0.4 5,-0.2 -0.364 39.7-104.2 -65.5 157.6 0.4 43.6 70.8 100 100 A P H > S+ 0 0 29 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.879 119.7 50.5 -54.1 -45.2 2.2 45.1 73.9 101 101 A A H >>S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 5,-0.6 0.906 111.1 46.6 -62.9 -46.3 5.1 42.7 73.7 102 102 A I H 4>S+ 0 0 1 1,-0.2 5,-3.4 2,-0.2 -1,-0.2 0.887 112.9 52.1 -60.4 -38.7 5.8 43.3 69.9 103 103 A A H <5S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.690 113.7 42.8 -72.6 -21.8 5.5 47.0 70.6 104 104 A L H <5S+ 0 0 56 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.716 133.3 8.4 -98.9 -24.9 8.0 46.9 73.4 105 105 A A T X5S+ 0 0 26 -4,-1.7 4,-0.8 -5,-0.1 -3,-0.2 0.726 129.0 35.2-122.3 -62.1 10.7 44.6 71.9 106 106 A A H > S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.886 116.6 37.1 -51.3 -46.7 11.5 49.5 67.8 109 109 A L H X S+ 0 0 104 -4,-0.8 4,-1.7 -3,-0.5 5,-0.2 0.877 117.7 52.8 -73.6 -36.9 14.4 47.5 66.2 110 110 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.938 106.9 52.5 -58.8 -47.9 12.2 46.4 63.3 111 111 A L H X S+ 0 0 53 -4,-4.0 4,-2.0 1,-0.2 -1,-0.2 0.850 107.1 51.3 -62.6 -38.0 11.1 50.0 62.6 112 112 A A H X S+ 0 0 52 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.2 0.965 116.4 39.1 -61.3 -54.3 14.7 51.4 62.4 113 113 A S H >X S+ 0 0 27 -4,-1.7 4,-1.7 1,-0.2 3,-1.0 0.913 114.4 55.0 -62.7 -47.3 15.9 48.7 59.9 114 114 A F H 3X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.899 102.4 56.1 -50.6 -48.2 12.7 48.8 58.0 115 115 A A H 3< S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.651 105.6 51.4 -70.0 -18.6 12.9 52.5 57.3 116 116 A R H << S+ 0 0 190 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.910 115.6 40.6 -77.4 -46.2 16.3 52.2 55.7 117 117 A E H < S+ 0 0 93 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.786 130.9 29.5 -70.8 -30.1 15.1 49.5 53.3 118 118 A F S >< S+ 0 0 33 -4,-2.8 3,-0.9 -5,-0.2 -1,-0.3 -0.677 72.4 162.7-131.4 77.5 11.8 51.2 52.7 119 119 A P T 3 + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.625 67.4 57.7 -76.6 -16.4 12.5 55.0 53.1 120 120 A D T 3 S+ 0 0 147 2,-0.1 2,-0.5 -29,-0.0 -5,-0.0 0.189 82.3 103.8-102.4 18.2 9.4 56.4 51.4 121 121 A V < - 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