==== 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 04-JUN-01 1JBG . COMPND 2 MOLECULE: TRANSCRIPTION ACTIVATOR OF MULTIDRUG-EFFLUX TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.H.GODSEY,A.A.NEYFAKH,R.G.BRENNAN . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 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 . 6 5.7 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 . 1 0.9 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 . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A K 0 0 153 0, 0.0 2,-0.5 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0 -18.3 -0.4 24.7 38.4 2 3 A Y E -A 40 0A 50 38,-1.9 38,-2.0 4,-0.0 2,-0.1 -0.904 360.0-142.8-113.3 126.8 -0.1 28.5 38.9 3 4 A Q E >> -A 39 0A 69 -2,-0.5 4,-1.7 36,-0.2 3,-1.0 -0.403 35.6-101.2 -78.2 156.9 -0.3 31.1 36.1 4 5 A V H 3> S+ 0 0 16 34,-0.8 4,-2.4 1,-0.3 5,-0.2 0.891 123.7 52.6 -43.7 -49.8 1.9 34.2 36.2 5 6 A K H 3> S+ 0 0 152 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.850 105.5 55.2 -60.2 -34.1 -0.9 36.3 37.5 6 7 A Q H X> S+ 0 0 89 -3,-1.0 4,-2.7 2,-0.2 3,-0.7 0.966 111.1 42.8 -64.1 -50.6 -1.7 33.9 40.4 7 8 A V H 3X>S+ 0 0 2 -4,-1.7 4,-3.7 1,-0.3 5,-0.7 0.916 106.3 58.9 -63.8 -43.3 1.9 33.9 41.8 8 9 A A H 3X5S+ 0 0 16 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.3 0.819 113.6 44.9 -53.8 -26.0 2.3 37.7 41.4 9 10 A E H <<5S+ 0 0 149 -4,-0.9 -2,-0.3 -3,-0.7 -1,-0.2 0.954 115.0 43.2 -78.9 -59.2 -0.8 37.5 43.7 10 11 A I H <5S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.892 125.4 34.2 -53.8 -49.2 0.4 34.9 46.2 11 12 A S H <5S- 0 0 43 -4,-3.7 -1,-0.2 2,-0.2 -3,-0.2 0.852 95.8-131.8 -78.5 -39.2 3.9 36.3 46.4 12 13 A G << + 0 0 66 -4,-0.9 2,-0.4 -5,-0.7 -4,-0.1 0.528 63.7 136.2 92.9 6.8 3.1 40.0 46.1 13 14 A V - 0 0 18 -6,-0.4 -1,-0.5 1,-0.1 -2,-0.2 -0.719 60.7-107.5 -89.5 139.4 5.9 40.1 43.5 14 15 A S > - 0 0 57 -2,-0.4 4,-2.8 1,-0.1 5,-0.1 -0.224 12.2-129.5 -65.7 154.4 5.1 42.1 40.5 15 16 A I H > S+ 0 0 80 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.944 112.9 54.7 -67.7 -50.0 4.5 40.4 37.1 16 17 A R H > S+ 0 0 200 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 112.1 44.1 -48.0 -51.1 7.0 42.7 35.5 17 18 A T H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.966 112.1 51.2 -60.2 -53.8 9.5 41.6 38.1 18 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.842 108.8 52.8 -52.5 -36.3 8.6 37.9 37.8 19 20 A H H X S+ 0 0 79 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.952 104.3 55.0 -64.1 -50.5 9.0 38.2 34.0 20 21 A H H X S+ 0 0 90 -4,-2.2 4,-1.3 -5,-0.2 6,-0.3 0.866 106.0 53.8 -50.5 -40.4 12.5 39.7 34.5 21 22 A Y H ><>S+ 0 0 5 -4,-1.9 5,-1.7 2,-0.2 6,-0.9 0.952 107.7 47.9 -61.0 -51.5 13.3 36.5 36.5 22 23 A D H ><5S+ 0 0 30 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.918 110.5 56.4 -53.5 -42.7 12.2 34.2 33.7 23 24 A N H 3<5S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 109.3 41.8 -63.0 -29.5 14.3 36.4 31.4 24 25 A I T <<5S- 0 0 40 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.134 111.9-115.7-106.9 20.3 17.5 36.0 33.3 25 26 A E T < 5S+ 0 0 133 -3,-1.5 3,-0.3 2,-0.2 -3,-0.2 0.623 83.6 123.3 58.1 13.5 17.0 32.3 33.9 26 27 A L S - 0 0 39 4,-3.4 3,-0.7 -2,-0.3 6,-0.1 -0.090 39.6 -99.2 -68.2 178.9 -0.7 26.1 29.2 34 35 A D T 3 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.697 125.8 50.7 -75.9 -17.0 -2.1 24.9 26.0 35 36 A A T 3 S- 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.450 127.4 -96.5 -96.5 -3.7 -2.3 28.6 24.7 36 37 A G S < S+ 0 0 45 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.594 73.6 145.4 100.6 12.2 1.3 29.3 25.6 37 38 A Y - 0 0 132 1,-0.1 -4,-3.4 -34,-0.0 -1,-0.3 -0.629 54.0-106.2 -83.2 141.8 0.9 30.9 29.1 38 39 A R E - B 0 32A 58 -2,-0.3 -34,-0.8 -6,-0.2 2,-0.4 -0.429 33.4-158.3 -72.5 139.2 3.7 30.2 31.6 39 40 A L E -AB 3 31A 34 -8,-1.8 -8,-0.9 -36,-0.2 -9,-0.9 -0.947 0.7-151.2-122.3 144.3 3.0 27.8 34.4 40 41 A Y E -A 2 0A 2 -38,-2.0 -38,-1.9 -2,-0.4 -8,-0.0 -0.906 4.5-144.9-119.2 138.7 4.7 27.5 37.8 41 42 A S > - 0 0 29 -2,-0.4 4,-0.8 -40,-0.2 -1,-0.0 -0.093 30.0-112.2 -83.7-170.8 5.2 24.5 40.1 42 43 A D H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.1 5,-0.1 0.701 123.5 56.3 -93.7 -25.5 5.3 24.6 43.9 43 44 A A H > S+ 0 0 69 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.765 104.7 55.6 -70.8 -27.6 8.9 23.7 43.7 44 45 A D H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.894 109.5 42.6 -70.0 -43.0 9.0 26.9 41.6 45 46 A L H X S+ 0 0 38 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.877 107.3 62.2 -68.9 -36.0 7.4 28.8 44.4 46 47 A E H X S+ 0 0 118 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.788 109.3 42.0 -57.1 -29.1 9.8 27.0 46.7 47 48 A R H X S+ 0 0 57 -4,-0.8 4,-2.7 -3,-0.4 -2,-0.2 0.900 106.4 58.4 -85.0 -46.6 12.5 28.7 44.7 48 49 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.859 105.8 55.8 -50.1 -35.0 10.8 32.2 44.5 49 50 A Q H X S+ 0 0 124 -4,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.939 105.2 47.3 -65.0 -49.0 11.0 31.9 48.2 50 51 A Q H X S+ 0 0 75 -4,-1.0 4,-2.9 -3,-0.2 3,-0.5 0.958 113.8 51.5 -55.8 -49.7 14.7 31.4 48.4 51 52 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 -2,-0.2 0.905 107.9 48.8 -50.0 -55.8 15.1 34.3 46.0 52 53 A L H X S+ 0 0 62 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.760 113.6 49.9 -58.2 -29.7 13.0 36.7 48.0 53 54 A F H X S+ 0 0 79 -4,-1.7 4,-2.2 -3,-0.5 -2,-0.2 0.922 110.8 44.4 -78.9 -48.9 14.9 35.8 51.0 54 55 A F H X>S+ 0 0 6 -4,-2.9 5,-2.2 1,-0.2 4,-1.1 0.925 114.3 53.5 -59.9 -38.7 18.4 36.2 49.6 55 56 A K H ><5S+ 0 0 89 -4,-3.0 3,-0.7 -5,-0.3 -1,-0.2 0.916 108.2 48.9 -60.4 -42.3 17.1 39.4 48.1 56 57 A E H 3<5S+ 0 0 168 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 107.2 57.0 -63.4 -37.2 15.9 40.5 51.6 57 58 A I H 3<5S- 0 0 50 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.692 128.6 -91.7 -68.6 -25.0 19.3 39.7 53.1 58 59 A G T <<5S+ 0 0 47 -4,-1.1 -3,-0.2 -3,-0.7 2,-0.1 0.431 75.3 141.3 126.7 0.1 21.1 42.0 50.6 59 60 A F < - 0 0 13 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.453 47.6-124.6 -77.9 144.8 22.1 39.9 47.6 60 61 A R > - 0 0 159 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.572 32.7-104.0 -84.4 151.2 21.9 41.3 44.0 61 62 A L H > S+ 0 0 36 1,-0.2 4,-1.6 -2,-0.2 3,-0.2 0.843 118.4 52.7 -43.7 -40.1 19.8 39.4 41.5 62 63 A D H > S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 105.0 48.2 -67.6 -49.4 23.0 38.0 39.9 63 64 A E H > S+ 0 0 68 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.743 111.3 55.5 -65.4 -17.0 24.8 36.6 42.9 64 65 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.875 98.6 59.9 -77.2 -40.9 21.5 34.9 43.8 65 66 A K H X S+ 0 0 74 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.896 109.5 46.0 -52.8 -42.9 21.4 33.3 40.4 66 67 A E H >X S+ 0 0 57 -4,-1.5 3,-1.7 1,-0.2 4,-1.4 0.989 108.2 50.8 -61.8 -80.8 24.7 31.6 41.3 67 68 A M H 3< S+ 0 0 24 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.709 102.6 64.2 -24.7 -52.7 23.9 30.3 44.8 68 69 A L H 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.828 112.4 27.5 -48.2 -49.4 20.7 28.6 43.7 69 70 A D H << S+ 0 0 113 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.870 89.1 113.8 -86.9 -38.6 22.0 26.0 41.4 70 71 A H >< - 0 0 36 -4,-1.4 3,-0.6 2,-0.1 -4,-0.0 -0.005 67.4-127.0 -36.9 132.7 25.5 25.5 42.8 71 72 A P T 3 S+ 0 0 125 0, 0.0 2,-2.8 0, 0.0 -1,-0.0 0.934 90.1 18.3 -48.2-108.9 25.8 21.9 44.2 72 73 A N T 3 S- 0 0 106 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.426 87.1-178.3 -72.5 69.2 27.0 21.6 47.8 73 74 A F < - 0 0 73 -2,-2.8 2,-0.9 -3,-0.6 -5,-0.0 -0.493 24.0-133.5 -72.9 140.2 26.2 25.3 48.5 74 75 A D > + 0 0 100 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.740 27.5 173.8-102.7 91.4 27.0 26.5 52.0 75 76 A R H > S+ 0 0 127 -2,-0.9 4,-2.8 1,-0.2 5,-0.4 0.951 81.0 51.6 -55.6 -58.8 24.1 28.5 53.5 76 77 A K H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.9 49.2 -46.3 -44.8 25.5 28.9 56.9 77 78 A A H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 111.2 46.5 -60.7 -53.1 28.7 30.2 55.2 78 79 A A H X S+ 0 0 13 -4,-2.4 4,-3.1 2,-0.2 3,-0.3 0.941 114.2 47.3 -56.6 -53.2 27.0 32.7 52.9 79 80 A L H X S+ 0 0 49 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.894 113.7 48.1 -57.9 -41.4 24.7 34.1 55.6 80 81 A Q H X S+ 0 0 101 -4,-2.1 4,-0.6 -5,-0.4 -1,-0.2 0.742 112.9 50.0 -71.9 -22.3 27.7 34.4 58.0 81 82 A S H X S+ 0 0 65 -4,-1.5 4,-1.9 -3,-0.3 3,-0.3 0.902 111.6 46.9 -79.3 -44.9 29.6 36.1 55.2 82 83 A Q H X S+ 0 0 16 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.895 105.1 59.6 -62.4 -45.9 26.8 38.5 54.4 83 84 A K H X S+ 0 0 133 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.860 108.8 46.1 -56.0 -29.8 26.4 39.4 58.0 84 85 A E H X S+ 0 0 130 -4,-0.6 4,-2.1 -3,-0.3 -1,-0.2 0.889 109.3 52.5 -79.2 -40.3 30.0 40.5 57.9 85 86 A I H X S+ 0 0 90 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.922 112.7 46.1 -56.7 -47.7 29.6 42.4 54.8 86 87 A L H X S+ 0 0 77 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.897 108.1 55.8 -62.7 -45.9 26.6 44.3 56.3 87 88 A M H X S+ 0 0 117 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.870 112.0 43.5 -58.9 -35.4 28.5 44.9 59.5 88 89 A K H X S+ 0 0 147 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 111.8 52.4 -76.0 -41.7 31.2 46.6 57.5 89 90 A K H X S+ 0 0 37 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.898 112.5 48.7 -58.4 -36.2 28.7 48.5 55.3 90 91 A K H >X S+ 0 0 162 -4,-3.2 4,-2.3 2,-0.2 3,-0.7 0.973 108.7 49.1 -67.4 -54.0 27.2 49.7 58.6 91 92 A Q H 3X S+ 0 0 96 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.853 108.0 57.1 -56.3 -34.0 30.4 50.8 60.3 92 93 A R H 3X S+ 0 0 144 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.913 106.7 48.3 -64.1 -40.4 31.2 52.7 57.2 93 94 A M H < S+ 0 0 168 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.903 112.3 44.7 -61.3 -41.9 32.1 66.9 63.4 103 104 A T H 3< S+ 0 0 83 -4,-1.6 2,-1.0 -5,-0.3 3,-0.3 0.858 102.8 67.2 -68.5 -38.2 31.7 69.3 60.6 104 105 A L T 3< S+ 0 0 123 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.126 76.7 87.5 -76.9 35.4 28.3 70.4 61.9 105 106 A L < 0 0 130 -2,-1.0 -1,-0.3 -3,-0.6 -2,-0.1 -0.165 360.0 360.0-123.8 35.4 30.0 72.0 64.9 106 107 A S 0 0 164 -3,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.081 360.0 360.0-176.8 360.0 30.6 75.3 63.1