==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-APR-12 4ESB . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, PADR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR G.FIBRIANSAH,A.T.KOVACS,O.P.KUIPERS,A.M.W.H.THUNNISSEN . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 74.8 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 . 11 10.7 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 1.0 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 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 1 0 0 0 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 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 3 A S > 0 0 83 0, 0.0 4,-0.6 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 1.3 15.2 19.9 -10.1 2 4 A Q T 4 + 0 0 143 1,-0.2 4,-0.2 2,-0.2 3,-0.0 0.762 360.0 42.3 -67.0 -26.5 14.6 16.9 -7.8 3 5 A M T >> S+ 0 0 137 2,-0.2 3,-1.4 1,-0.2 4,-1.1 0.769 97.5 72.0 -93.9 -31.1 16.6 18.5 -5.0 4 6 A L T 34 S+ 0 0 58 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.764 96.0 57.8 -51.5 -25.9 15.3 22.1 -5.4 5 7 A K T 3X S+ 0 0 115 -4,-0.6 4,-0.6 1,-0.2 3,-0.3 0.754 94.2 64.1 -79.9 -26.1 12.1 20.6 -3.9 6 8 A G T <4 S+ 0 0 63 -3,-1.4 4,-0.3 1,-0.2 3,-0.2 0.910 114.8 30.1 -60.6 -42.5 13.9 19.5 -0.7 7 9 A V T X S+ 0 0 35 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.344 96.5 91.8-101.4 3.9 14.7 23.1 0.2 8 10 A L H > S+ 0 0 8 -3,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.885 83.1 53.0 -71.9 -40.1 11.7 24.8 -1.4 9 11 A E H X S+ 0 0 35 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.902 111.3 48.5 -59.7 -41.4 9.4 24.6 1.7 10 12 A G H > S+ 0 0 6 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 111.0 48.4 -67.9 -38.1 12.1 26.3 3.8 11 13 A C H X S+ 0 0 33 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.824 109.9 53.3 -73.6 -31.6 12.8 29.0 1.2 12 14 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.903 109.6 48.2 -65.4 -42.9 9.0 29.7 1.1 13 15 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.909 110.9 51.7 -63.8 -41.6 8.9 30.0 4.8 14 16 A Y H X S+ 0 0 112 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.952 112.2 45.0 -58.5 -50.9 11.9 32.4 4.7 15 17 A I H >X S+ 0 0 27 -4,-2.3 4,-1.4 1,-0.2 3,-0.7 0.928 115.4 46.0 -61.4 -48.4 10.3 34.6 2.1 16 18 A I H 3< S+ 0 0 5 -4,-2.5 58,-0.4 1,-0.2 -1,-0.2 0.831 107.5 58.8 -64.5 -32.5 6.9 34.7 3.8 17 19 A S H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.784 110.5 43.5 -66.5 -25.4 8.6 35.4 7.2 18 20 A Q H << S+ 0 0 127 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.716 128.2 9.4 -94.5 -24.3 10.1 38.5 5.7 19 21 A E S < S- 0 0 87 -4,-1.4 -1,-0.3 -5,-0.1 2,-0.3 -0.915 71.8-114.8-161.3 129.5 7.1 39.8 3.9 20 22 A E + 0 0 61 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.486 49.0 176.3 -57.4 123.4 3.4 39.1 3.6 21 23 A V E -A 72 0A 0 51,-1.1 51,-2.6 -2,-0.3 2,-0.2 -0.980 27.7-132.2-137.3 147.8 2.9 38.0 0.0 22 24 A Y E > -A 71 0A 52 -2,-0.3 4,-2.5 49,-0.2 3,-0.2 -0.515 43.8 -91.3 -91.3 168.4 0.0 36.7 -2.2 23 25 A G H > S+ 0 0 14 47,-0.5 4,-2.1 1,-0.2 5,-0.2 0.847 123.6 41.8 -48.8 -51.7 0.4 33.6 -4.4 24 26 A Y H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 114.1 52.9 -67.6 -39.7 1.6 35.3 -7.6 25 27 A E H > S+ 0 0 39 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.887 109.4 51.4 -59.9 -40.6 3.9 37.6 -5.7 26 28 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.956 110.9 44.1 -63.1 -53.8 5.4 34.6 -4.0 27 29 A S H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.811 110.6 56.4 -66.6 -30.9 6.2 32.5 -7.1 28 30 A T H X S+ 0 0 54 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.947 109.3 45.8 -63.0 -48.1 7.5 35.6 -8.9 29 31 A K H X S+ 0 0 67 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.906 111.9 52.2 -60.6 -42.0 10.0 36.1 -6.1 30 32 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.6 0.928 110.6 48.5 -60.3 -45.7 10.9 32.4 -6.2 31 33 A N H ><5S+ 0 0 61 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.926 111.5 48.4 -56.9 -48.1 11.5 32.6 -10.0 32 34 A K H 3<5S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.558 107.8 55.4 -79.2 -7.6 13.7 35.7 -9.7 33 35 A H T <<5S- 0 0 151 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.290 132.4 -86.0-103.6 6.9 15.8 34.2 -6.9 34 36 A G T < 5S+ 0 0 47 -3,-1.5 2,-1.6 -4,-0.2 -3,-0.2 0.395 93.4 120.3 113.0 -0.4 16.6 31.1 -9.1 35 37 A F > < + 0 0 24 -5,-2.7 3,-1.3 1,-0.2 -1,-0.1 -0.564 34.4 166.8 -87.4 72.4 13.7 28.6 -8.7 36 38 A T T 3 + 0 0 120 -2,-1.6 -1,-0.2 1,-0.3 -5,-0.1 0.680 64.0 57.4 -67.4 -19.9 13.0 28.9 -12.4 37 39 A F T 3 S+ 0 0 68 -3,-0.2 -1,-0.3 2,-0.0 5,-0.1 0.642 83.2 103.7 -87.0 -15.0 10.7 25.8 -12.5 38 40 A V < + 0 0 5 -3,-1.3 2,-0.3 -11,-0.1 3,-0.0 -0.373 40.0 167.6 -75.4 146.7 8.2 27.0 -9.9 39 41 A S > - 0 0 59 -2,-0.1 4,-2.1 1,-0.1 5,-0.3 -0.933 51.2-102.7-143.7 165.9 4.7 28.3 -10.9 40 42 A E H > S+ 0 0 96 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.891 124.2 52.0 -57.0 -37.6 1.6 29.0 -8.8 41 43 A G H 4 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.859 110.3 45.8 -67.3 -37.7 0.2 25.8 -10.2 42 44 A S H 4 S+ 0 0 60 1,-0.2 -1,-0.2 -3,-0.2 4,-0.2 0.804 120.1 37.3 -80.6 -30.4 3.2 23.6 -9.3 43 45 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.1 3,-0.5 0.507 91.4 93.5 -96.8 -6.3 3.6 24.9 -5.7 44 46 A Y H X S+ 0 0 122 -4,-1.0 4,-2.3 -5,-0.3 5,-0.2 0.918 84.4 49.2 -55.1 -50.0 -0.1 25.3 -5.0 45 47 A P H > S+ 0 0 79 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.821 110.6 52.7 -61.8 -29.6 -0.5 21.8 -3.4 46 48 A L H > S+ 0 0 30 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.867 108.6 49.7 -71.0 -37.1 2.5 22.6 -1.2 47 49 A L H X S+ 0 0 6 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.866 109.0 52.1 -67.9 -37.2 0.9 25.9 -0.1 48 50 A L H X S+ 0 0 79 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.858 113.3 45.0 -65.3 -35.2 -2.3 24.0 0.8 49 51 A R H X S+ 0 0 106 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.887 107.5 55.1 -78.9 -40.9 -0.4 21.6 2.9 50 52 A M H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 6,-1.1 0.822 111.4 48.5 -61.7 -29.9 1.8 24.1 4.6 51 53 A Q H ><5S+ 0 0 40 -4,-1.4 3,-1.7 3,-0.2 -1,-0.2 0.898 107.7 52.5 -73.0 -43.4 -1.5 25.8 5.7 52 54 A K H 3<5S+ 0 0 158 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.780 110.5 49.1 -66.7 -25.6 -3.0 22.5 6.9 53 55 A E T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.347 115.4-120.9 -94.0 4.5 0.1 22.0 9.0 54 56 A K T < 5S+ 0 0 143 -3,-1.7 24,-0.4 2,-0.2 23,-0.3 0.791 76.8 124.9 66.3 31.5 -0.3 25.5 10.3 55 57 A L S - 0 0 20 4,-1.3 3,-2.2 -2,-0.3 -1,-0.1 -0.374 26.0-103.8 -82.0 161.4 -3.8 45.7 -1.3 64 66 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.756 129.3 47.0 -53.0 -22.4 -1.9 49.0 -1.4 65 67 A L T 3 S- 0 0 149 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.421 121.7-108.7-101.3 -2.0 -4.0 49.5 -4.6 66 68 A G S < S+ 0 0 42 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 -0.381 78.0 116.8 112.7 -55.0 -7.3 48.4 -3.1 67 69 A P - 0 0 69 0, 0.0 -4,-1.3 0, 0.0 2,-0.4 -0.235 68.2-116.5 -59.0 137.5 -8.3 45.0 -4.5 68 70 A K E + B 0 62A 161 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.597 38.8 177.7 -82.6 128.0 -8.5 42.4 -1.8 69 71 A R E - B 0 61A 94 -8,-2.3 -8,-1.8 -2,-0.4 2,-1.1 -0.806 37.6-106.0-124.2 163.9 -6.0 39.5 -2.1 70 72 A K E - B 0 60A 85 -2,-0.3 -47,-0.5 -10,-0.2 2,-0.3 -0.765 41.9-169.9 -94.0 93.6 -5.2 36.4 -0.0 71 73 A Y E -AB 22 59A 26 -12,-1.8 -12,-2.6 -2,-1.1 2,-0.4 -0.644 11.2-139.8 -86.0 139.9 -1.9 37.3 1.7 72 74 A Y E -AB 21 58A 13 -51,-2.6 -51,-1.1 -2,-0.3 2,-0.3 -0.819 19.6-178.7-101.6 136.9 0.1 34.6 3.5 73 75 A H E - B 0 57A 58 -16,-2.7 -16,-2.7 -2,-0.4 2,-0.2 -0.926 29.0-106.2-128.2 160.9 1.9 35.1 6.8 74 76 A I E - B 0 56A 25 -58,-0.4 -18,-0.3 -2,-0.3 2,-0.1 -0.572 27.4-139.0 -88.4 143.4 4.0 32.8 8.9 75 77 A T > - 0 0 25 -20,-2.3 4,-2.2 -2,-0.2 5,-0.2 -0.445 29.3-105.0 -90.7 170.9 2.8 31.2 12.2 76 78 A D H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 126.0 50.8 -59.9 -45.0 4.8 30.7 15.3 77 79 A K H > S+ 0 0 99 -23,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.893 109.5 51.5 -57.4 -40.9 5.1 27.0 14.5 78 80 A G H > S+ 0 0 0 -24,-0.4 4,-1.8 -23,-0.2 -1,-0.2 0.860 108.5 50.5 -65.8 -37.4 6.2 28.0 11.0 79 81 A L H X S+ 0 0 70 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 107.4 53.3 -67.6 -42.3 8.9 30.3 12.5 80 82 A E H X S+ 0 0 108 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.936 112.1 45.6 -54.9 -47.0 10.2 27.6 14.8 81 83 A Q H X S+ 0 0 63 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.817 106.9 58.4 -70.3 -32.0 10.5 25.3 11.8 82 84 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.891 105.8 49.9 -62.4 -39.6 12.2 28.0 9.7 83 85 A E H X S+ 0 0 88 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 108.5 52.2 -66.9 -40.2 14.9 28.2 12.4 84 86 A E H X S+ 0 0 108 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.916 110.6 49.0 -58.4 -43.8 15.4 24.5 12.2 85 87 A F H X S+ 0 0 51 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.910 108.8 51.6 -63.9 -44.0 15.7 24.8 8.4 86 88 A K H X S+ 0 0 79 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.875 113.4 45.7 -61.0 -38.0 18.3 27.6 8.7 87 89 A Q H X S+ 0 0 127 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.953 115.2 44.8 -71.3 -51.1 20.4 25.5 11.1 88 90 A S H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.923 113.6 52.0 -56.7 -45.7 20.2 22.3 9.1 89 91 A W H X S+ 0 0 126 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.888 108.0 48.4 -62.5 -43.3 20.9 24.1 5.8 90 92 A G H X S+ 0 0 32 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.819 113.4 50.5 -67.6 -29.6 24.1 25.9 7.1 91 93 A M H X S+ 0 0 125 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.972 116.0 38.0 -69.7 -57.9 25.3 22.6 8.4 92 94 A V H X S+ 0 0 67 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.884 115.2 55.0 -62.6 -41.6 24.8 20.6 5.2 93 95 A S H X S+ 0 0 29 -4,-2.9 4,-2.5 -5,-0.3 5,-0.3 0.948 112.2 43.1 -56.8 -51.0 25.9 23.5 3.0 94 96 A T H X S+ 0 0 80 -4,-1.7 4,-2.0 -5,-0.2 5,-0.2 0.918 115.9 49.1 -60.6 -45.9 29.2 23.8 4.9 95 97 A T H X S+ 0 0 91 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.940 117.1 38.4 -62.1 -51.6 29.7 20.0 4.9 96 98 A V H X S+ 0 0 64 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.909 116.0 51.5 -68.8 -43.5 29.0 19.4 1.3 97 99 A N H < S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.861 110.4 48.4 -65.2 -37.4 30.7 22.5 -0.0 98 100 A N H >< S+ 0 0 110 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.896 112.8 50.0 -66.8 -39.7 33.9 21.8 1.9 99 101 A L H >< S+ 0 0 131 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.931 101.9 58.8 -64.4 -48.5 34.0 18.2 0.6 100 102 A L T 3< S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.273 102.4 57.3 -72.4 14.8 33.5 19.0 -3.1 101 103 A Q T < S+ 0 0 138 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.142 74.4 101.8-135.2 38.7 36.7 21.0 -3.1 102 104 A G < 0 0 63 -3,-1.0 -2,-0.1 0, 0.0 -3,-0.1 0.921 360.0 360.0 -87.8 -52.6 39.2 18.5 -1.9 103 105 A E 0 0 236 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.786 360.0 360.0 76.6 360.0 41.1 17.4 -5.0