==== 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 14-SEP-07 2RAE . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, ACRR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR R.ZHANG,T.SKARINA,O.KAGAN,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMI . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 74.1 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 2 0 0 0 1 0 1 2 0 1 0 0 0 0 0 0 1 0 0 1 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 11 A I 0 0 53 0, 0.0 96,-0.2 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 -57.5 10.3 37.9 42.8 2 12 A G + 0 0 42 91,-0.1 4,-0.1 94,-0.1 91,-0.1 0.715 360.0 126.0 69.7 23.6 6.5 38.1 42.0 3 13 A R + 0 0 206 2,-0.1 3,-0.1 94,-0.0 90,-0.0 0.909 48.8 62.0 -82.4 -47.3 7.2 40.3 39.0 4 14 A R S S- 0 0 179 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.297 96.0 -77.6 -89.2 163.7 5.5 38.7 36.0 5 15 A P - 0 0 119 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.310 62.2 -96.5 -58.3 142.4 1.8 37.9 35.2 6 16 A S - 0 0 95 -3,-0.1 2,-0.2 -4,-0.1 3,-0.0 -0.356 37.0-154.0 -72.7 139.6 0.6 34.8 37.1 7 17 A T > - 0 0 69 -3,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.467 33.3-102.9 -97.2 171.9 0.6 31.5 35.3 8 18 A T H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.943 123.0 47.3 -59.0 -44.5 -1.6 28.5 36.1 9 19 A Q H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 114.2 43.5 -66.6 -41.9 1.4 26.8 37.8 10 20 A D H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.825 113.3 53.6 -81.2 -26.3 2.4 29.8 39.9 11 21 A R H X S+ 0 0 99 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.800 108.3 49.9 -71.1 -29.8 -1.3 30.5 40.7 12 22 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.922 110.5 51.0 -69.6 -44.8 -1.6 26.8 42.0 13 23 A S H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.937 110.3 49.1 -54.9 -49.5 1.4 27.3 44.1 14 24 A T H X S+ 0 0 53 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 113.0 44.3 -62.6 -46.3 0.1 30.5 45.6 15 25 A V H X S+ 0 0 33 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.900 114.1 53.6 -66.8 -36.1 -3.4 29.1 46.5 16 26 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.944 108.6 47.6 -56.6 -53.6 -1.6 26.0 47.9 17 27 A I H X S+ 0 0 5 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.882 111.7 50.2 -57.6 -41.8 0.7 28.1 50.1 18 28 A E H X S+ 0 0 79 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 113.5 46.7 -64.6 -43.0 -2.3 30.1 51.4 19 29 A L H X>S+ 0 0 30 -4,-2.6 4,-3.2 1,-0.2 5,-0.5 0.958 112.7 48.2 -59.2 -53.1 -4.1 26.8 52.1 20 30 A F H X5S+ 0 0 2 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.807 113.1 49.1 -58.7 -36.2 -1.1 25.2 53.8 21 31 A T H <5S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.931 116.8 39.9 -69.8 -47.5 -0.6 28.3 55.9 22 32 A E H <5S+ 0 0 154 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.888 133.4 21.3 -69.2 -44.0 -4.3 28.6 57.0 23 33 A Q H <5S- 0 0 89 -4,-3.2 -3,-0.2 -5,-0.2 4,-0.2 0.563 114.8-102.5-102.2 -14.8 -5.0 24.8 57.6 24 34 A G X< - 0 0 30 -4,-1.2 4,-0.8 -5,-0.5 -3,-0.2 0.100 28.7 -95.9 96.9 149.3 -1.5 23.5 58.1 25 35 A F T >4 S+ 0 0 13 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.934 120.8 40.9 -66.3 -50.7 0.6 21.6 55.5 26 36 A D T 34 S+ 0 0 131 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.824 111.1 59.1 -73.4 -28.4 -0.1 18.0 56.6 27 37 A A T 34 S+ 0 0 71 -4,-0.2 2,-0.5 -7,-0.1 -1,-0.2 0.673 93.9 78.5 -70.4 -18.5 -3.8 18.8 57.1 28 38 A T S << S- 0 0 1 -4,-0.8 2,-0.1 -3,-0.8 -8,-0.0 -0.806 71.4-149.6 -98.3 128.3 -4.2 19.9 53.5 29 39 A S > - 0 0 47 -2,-0.5 4,-1.5 1,-0.1 3,-0.2 -0.475 26.5-115.2 -89.8 162.1 -4.6 17.3 50.7 30 40 A V H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.860 117.9 59.7 -64.5 -29.2 -3.4 17.6 47.1 31 41 A D H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.860 102.0 51.8 -68.0 -33.4 -7.2 17.4 46.2 32 42 A E H > S+ 0 0 67 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 109.6 49.3 -68.0 -39.9 -8.0 20.5 48.3 33 43 A V H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.937 112.7 48.3 -63.1 -46.6 -5.2 22.4 46.5 34 44 A A H ><>S+ 0 0 2 -4,-2.4 5,-1.9 2,-0.2 3,-0.7 0.966 116.2 41.8 -57.1 -56.6 -6.6 21.3 43.1 35 45 A E H ><5S+ 0 0 151 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.947 112.9 52.6 -59.6 -50.4 -10.2 22.1 44.0 36 46 A A H 3<5S+ 0 0 61 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.778 112.2 49.5 -51.5 -26.6 -9.2 25.4 45.6 37 47 A S T <<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.408 113.1-120.2 -94.2 -1.6 -7.3 26.1 42.3 38 48 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.3 -4,-0.3 -3,-0.2 0.834 76.2 108.2 63.2 35.1 -10.3 25.2 40.1 39 49 A I S - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.520 34.4-114.0 -83.3 156.1 -8.5 18.5 38.2 41 51 A R H > S+ 0 0 130 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.771 120.3 58.8 -64.1 -24.3 -5.8 16.6 40.2 42 52 A R H > S+ 0 0 220 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.912 105.3 47.9 -64.7 -45.5 -4.6 15.5 36.7 43 53 A T H > S+ 0 0 46 -3,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.903 113.3 48.9 -63.7 -38.3 -4.0 19.1 35.8 44 54 A L H >X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.7 0.888 108.5 51.5 -66.5 -41.8 -2.2 19.7 39.2 45 55 A F H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 100.7 63.9 -75.3 -18.0 0.1 16.6 38.8 46 56 A R H 3< S+ 0 0 180 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.870 113.8 33.6 -62.2 -37.8 1.0 17.9 35.4 47 57 A Y H << S+ 0 0 59 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.1 0.750 128.0 32.8 -93.1 -30.7 2.6 20.9 37.1 48 58 A F < - 0 0 2 -4,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.994 57.7-156.5-128.9 131.5 3.8 19.3 40.4 49 59 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.703 81.3 0.6 -71.5 -18.9 5.1 15.7 40.9 50 60 A S S > S- 0 0 31 1,-0.1 4,-0.6 -20,-0.0 3,-0.3 -0.934 75.1 -98.3-156.1 175.3 4.1 15.9 44.6 51 61 A K T >4 S+ 0 0 42 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.854 118.8 60.4 -69.7 -39.2 2.7 17.8 47.4 52 62 A N T 34 S+ 0 0 44 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.748 99.6 57.0 -63.4 -24.2 6.2 18.8 48.5 53 63 A A T >> S+ 0 0 9 -3,-0.3 3,-1.6 1,-0.2 4,-0.9 0.765 86.0 81.4 -72.6 -26.3 6.8 20.5 45.2 54 64 A I G X< S+ 0 0 0 -3,-0.9 3,-1.0 -4,-0.6 -37,-0.2 0.875 88.9 50.2 -57.7 -44.7 3.8 22.9 45.5 55 65 A P G 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.742 104.6 59.2 -61.9 -24.5 5.5 25.5 47.7 56 66 A W G <4 S- 0 0 21 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.697 87.1-170.9 -79.9 -18.5 8.5 25.7 45.4 57 67 A G << - 0 0 8 -3,-1.0 2,-1.3 -4,-0.9 3,-0.2 -0.345 60.9 -16.7 67.6-144.2 6.3 26.8 42.5 58 68 A D S >> S+ 0 0 48 1,-0.2 4,-1.6 2,-0.1 3,-0.6 -0.610 76.8 161.4 -92.7 74.6 8.0 27.0 39.1 59 69 A F H 3> + 0 0 24 -2,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.812 67.8 62.4 -69.4 -33.1 11.5 26.9 40.5 60 70 A D H 3> S+ 0 0 124 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 104.0 48.6 -55.2 -40.2 13.0 25.9 37.2 61 71 A A H <> S+ 0 0 41 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.910 111.6 49.6 -69.8 -41.6 11.8 29.1 35.6 62 72 A H H X S+ 0 0 40 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.930 111.1 50.0 -58.1 -49.6 13.3 31.1 38.6 63 73 A L H X S+ 0 0 22 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.830 107.4 53.5 -61.8 -35.7 16.5 29.3 38.2 64 74 A A H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.827 108.5 50.1 -68.7 -33.9 16.6 30.0 34.4 65 75 A E H X S+ 0 0 48 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.920 111.1 48.2 -66.3 -46.4 16.2 33.8 35.1 66 76 A M H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.929 112.7 49.0 -59.7 -42.9 19.0 33.8 37.6 67 77 A R H X S+ 0 0 137 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 112.2 47.0 -64.7 -44.9 21.2 31.9 35.2 68 78 A A H X S+ 0 0 60 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.882 112.3 51.7 -66.0 -38.0 20.4 34.3 32.3 69 79 A Q H >X S+ 0 0 39 -4,-2.6 4,-1.2 2,-0.2 3,-0.5 0.974 111.9 45.2 -59.4 -54.3 21.0 37.3 34.6 70 80 A L H 3< S+ 0 0 5 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.877 115.7 47.5 -57.6 -38.1 24.4 35.9 35.7 71 81 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.718 111.0 51.7 -77.2 -23.9 25.3 35.1 32.0 72 82 A A H << S+ 0 0 80 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.582 83.5 106.3 -89.6 -13.2 24.2 38.6 30.8 73 83 A Q S < S- 0 0 44 -4,-1.2 4,-0.1 -3,-0.3 9,-0.0 -0.493 85.9-101.4 -64.8 131.6 26.3 40.5 33.4 74 84 A P > - 0 0 76 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.275 22.9-131.3 -53.3 143.1 29.3 42.1 31.7 75 85 A D T 3 S+ 0 0 129 1,-0.3 4,-0.1 -4,-0.1 -2,-0.1 0.486 99.5 76.6 -81.8 -4.6 32.5 40.2 32.2 76 86 A D T 3 S+ 0 0 133 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.178 81.2 93.7 -82.9 17.0 34.4 43.3 33.2 77 87 A I S < S- 0 0 42 -3,-0.8 5,-0.1 -4,-0.1 -4,-0.0 -0.909 87.5-101.8-117.3 136.3 32.6 43.0 36.6 78 88 A P > - 0 0 71 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.207 26.6-125.3 -59.3 149.6 34.1 41.3 39.6 79 89 A I H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.889 108.9 56.1 -64.3 -41.1 32.7 37.8 40.3 80 90 A V H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.859 105.7 51.7 -60.2 -36.8 31.7 38.6 43.9 81 91 A D H > S+ 0 0 77 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 108.4 51.5 -69.6 -39.0 29.6 41.6 42.6 82 92 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.944 111.4 47.9 -54.7 -48.7 27.9 39.2 40.2 83 93 A L H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 112.2 48.5 -63.1 -45.6 27.1 36.9 43.1 84 94 A T H X S+ 0 0 33 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.918 109.7 51.9 -58.1 -48.0 25.8 39.7 45.3 85 95 A A H X S+ 0 0 26 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.917 113.0 44.9 -57.5 -48.7 23.5 41.1 42.6 86 96 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.897 112.2 51.5 -60.6 -46.6 22.0 37.6 42.0 87 97 A L H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.928 117.3 39.8 -56.1 -43.4 21.6 36.9 45.7 88 98 A L H < S+ 0 0 52 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.899 117.5 45.8 -80.1 -43.1 19.8 40.2 46.2 89 99 A Q H >< S+ 0 0 93 -4,-2.9 3,-1.8 -5,-0.2 -3,-0.2 0.920 110.7 50.7 -64.1 -48.7 17.7 40.4 43.1 90 100 A F T 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.428 114.6 43.6 -85.0 5.1 16.3 36.8 43.2 91 101 A N T 3 S+ 0 0 17 -3,-0.5 2,-0.5 -4,-0.3 -1,-0.3 0.148 93.5 110.3-117.4 15.6 15.2 37.1 46.7 92 102 A A < + 0 0 49 -3,-1.8 -3,-0.0 80,-0.1 -4,-0.0 -0.802 41.7 172.8 -98.4 123.9 13.8 40.6 46.0 93 103 A F - 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