==== 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 05-FEB-08 2ZHH . COMPND 2 MOLECULE: REDOX-SENSITIVE TRANSCRIPTIONAL ACTIVATOR SOXR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.WATANABE,A.KITA,K.KOBAYASHI,K.MIKI . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 78.3 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 . 3 2.5 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 . 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 . 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 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 10 A A 0 0 78 0, 0.0 41,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -80.7 45.0 -8.9 -4.3 2 11 A L E -A 41 0A 94 39,-0.2 2,-0.4 40,-0.1 39,-0.2 -0.909 360.0-157.0-107.3 120.4 43.5 -10.6 -7.3 3 12 A L E -A 40 0A 4 37,-2.7 37,-3.2 -2,-0.6 41,-0.0 -0.771 16.6-123.3 -98.2 138.4 43.4 -14.4 -7.3 4 13 A T >> - 0 0 42 -2,-0.4 4,-2.4 35,-0.2 3,-0.8 -0.370 29.8-110.8 -72.3 154.2 43.1 -16.5 -10.5 5 14 A P H 3> S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.948 122.8 51.1 -50.9 -48.1 40.1 -18.9 -10.6 6 15 A G H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.761 109.6 51.4 -59.4 -28.2 42.6 -21.8 -10.3 7 16 A E H <> S+ 0 0 92 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.932 107.8 47.9 -75.3 -51.5 44.1 -20.1 -7.2 8 17 A V H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 6,-0.2 0.917 114.9 52.1 -55.0 -41.5 40.9 -19.5 -5.3 9 18 A A H >X>S+ 0 0 8 -4,-2.2 3,-2.0 -5,-0.3 4,-1.4 0.986 108.8 44.1 -57.2 -69.2 40.2 -23.1 -6.1 10 19 A K H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.741 119.8 45.1 -50.1 -28.4 43.4 -24.8 -4.9 11 20 A R H 3<5S+ 0 0 139 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.495 116.0 43.8 -97.0 -7.0 43.3 -22.6 -1.7 12 21 A S H <<5S- 0 0 20 -3,-2.0 -2,-0.2 -4,-0.8 -3,-0.2 0.386 106.1-123.5-113.9 -3.0 39.6 -23.1 -1.0 13 22 A G T <5S+ 0 0 61 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.654 72.5 111.8 70.7 17.6 39.6 -26.9 -1.7 14 23 A V S > - 0 0 62 -2,-0.3 4,-1.2 1,-0.1 3,-1.0 -0.224 31.3-118.0 -64.0 154.2 36.9 -27.3 -8.1 16 25 A V H >> S+ 0 0 52 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.917 116.0 63.6 -58.8 -41.8 36.9 -24.3 -10.3 17 26 A S H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.774 98.5 55.6 -51.8 -32.3 33.6 -25.4 -11.6 18 27 A A H <> S+ 0 0 17 -3,-1.0 4,-4.2 2,-0.2 5,-0.3 0.896 101.7 54.0 -70.2 -42.5 32.2 -24.9 -8.1 19 28 A L H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.832 109.3 51.7 -60.5 -29.6 33.3 -21.3 -8.0 20 29 A H H >X S+ 0 0 83 -4,-1.5 4,-2.2 2,-0.2 3,-1.7 0.971 111.9 44.3 -66.1 -56.0 31.3 -21.0 -11.3 21 30 A F H >X S+ 0 0 99 -4,-2.3 4,-2.5 1,-0.3 3,-1.0 0.967 111.3 52.3 -51.0 -59.3 28.4 -22.6 -9.6 22 31 A Y H 3<>S+ 0 0 18 -4,-4.2 5,-2.6 1,-0.3 6,-1.4 0.619 112.5 49.2 -54.8 -10.5 28.9 -20.4 -6.5 23 32 A E H X45S+ 0 0 43 -3,-1.7 3,-0.8 -5,-0.3 -1,-0.3 0.747 106.9 52.3 -98.2 -31.9 28.9 -17.5 -9.1 24 33 A S H <<5S+ 0 0 83 -4,-2.2 -2,-0.2 -3,-1.0 -3,-0.2 0.893 108.5 50.0 -69.5 -43.7 25.7 -18.6 -10.9 25 34 A K T 3<5S- 0 0 116 -4,-2.5 -1,-0.3 -5,-0.2 -3,-0.1 0.274 120.1-119.6 -77.8 13.1 23.8 -18.7 -7.6 26 35 A G T < 5S+ 0 0 55 -3,-0.8 -3,-0.2 -5,-0.2 -2,-0.1 0.894 75.2 128.8 48.2 54.3 25.3 -15.3 -7.2 27 36 A L S + 0 0 110 1,-0.0 4,-2.4 5,-0.0 -2,-0.0 -0.941 49.9 4.7-169.9 147.8 39.8 -8.2 -17.9 34 43 A S T 4 S- 0 0 103 -2,-0.3 4,-0.0 2,-0.2 -2,-0.0 0.815 141.5 -5.2 37.3 59.9 41.7 -8.4 -21.3 35 44 A G T 4 S- 0 0 58 1,-0.1 -1,-0.2 2,-0.1 3,-0.2 0.873 129.7 -59.8 93.0 51.6 39.5 -10.9 -23.1 36 45 A N T 4 S+ 0 0 94 1,-0.2 2,-1.8 -4,-0.0 -2,-0.2 0.600 80.0 171.0 48.6 21.2 37.1 -11.7 -20.2 37 46 A Q < - 0 0 102 -4,-2.4 -1,-0.2 -5,-0.1 -6,-0.1 -0.378 25.2-149.2 -62.0 84.0 40.2 -12.9 -18.2 38 47 A R + 0 0 60 -2,-1.8 2,-0.3 -6,-0.2 -6,-0.1 0.141 22.7 174.0 -52.6 167.1 38.3 -13.4 -14.9 39 48 A R - 0 0 72 -35,-0.1 -8,-1.8 -34,-0.1 2,-0.2 -0.943 17.3-136.9-171.9 155.3 39.7 -13.0 -11.5 40 49 A Y E -A 3 0A 0 -37,-3.2 -37,-2.7 -2,-0.3 2,-0.3 -0.748 20.3-110.3-119.6 168.7 38.6 -13.0 -7.8 41 50 A K E > -A 2 0A 103 -12,-0.4 3,-1.7 -2,-0.2 4,-0.4 -0.719 29.9-108.7-101.6 149.9 39.4 -10.9 -4.7 42 51 A R T > S+ 0 0 120 -41,-1.5 3,-1.9 -2,-0.3 4,-0.4 0.864 116.2 54.4 -34.7 -63.8 41.2 -11.9 -1.5 43 52 A D T >> S+ 0 0 74 1,-0.3 3,-1.8 2,-0.2 4,-1.1 0.789 85.6 84.7 -46.8 -35.0 38.1 -12.0 0.7 44 53 A V H <> S+ 0 0 7 -3,-1.7 4,-2.1 1,-0.3 5,-0.3 0.771 82.4 61.0 -41.1 -35.7 36.4 -14.5 -1.7 45 54 A L H <> S+ 0 0 34 -3,-1.9 4,-2.4 -4,-0.4 -1,-0.3 0.948 101.3 54.6 -57.9 -46.5 38.3 -17.4 0.0 46 55 A R H <> S+ 0 0 111 -3,-1.8 4,-2.6 -4,-0.4 -1,-0.2 0.872 108.1 48.4 -52.6 -46.0 36.4 -16.3 3.2 47 56 A Y H X S+ 0 0 57 -4,-1.1 4,-3.9 2,-0.2 -2,-0.2 0.989 112.6 45.0 -59.7 -63.6 33.0 -16.6 1.5 48 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.825 111.8 55.5 -50.1 -36.3 33.5 -20.0 -0.1 49 58 A A H X S+ 0 0 48 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.3 0.983 112.8 40.8 -60.1 -54.6 34.9 -21.0 3.2 50 59 A I H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 -2,-0.3 0.903 111.4 57.4 -59.7 -44.5 31.7 -19.9 4.8 51 60 A I H X S+ 0 0 0 -4,-3.9 4,-2.9 1,-0.2 -1,-0.2 0.935 107.4 47.4 -53.1 -50.6 29.6 -21.3 2.0 52 61 A K H X S+ 0 0 81 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.944 111.7 49.2 -57.1 -51.6 31.0 -24.8 2.6 53 62 A I H X S+ 0 0 68 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.968 111.3 51.8 -51.0 -55.2 30.5 -24.6 6.3 54 63 A A H <>S+ 0 0 0 -4,-3.2 5,-1.8 1,-0.3 4,-0.4 0.895 111.5 45.1 -46.1 -53.2 26.9 -23.5 5.6 55 64 A Q H ><5S+ 0 0 80 -4,-2.9 3,-2.0 1,-0.3 -1,-0.3 0.932 111.3 53.5 -59.7 -45.4 26.3 -26.4 3.3 56 65 A R H 3<5S+ 0 0 221 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.872 104.8 55.6 -58.2 -33.5 27.9 -28.7 5.8 57 66 A I T 3<5S- 0 0 36 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.567 121.9-109.9 -76.0 -7.3 25.4 -27.3 8.4 58 67 A G T < 5 + 0 0 34 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.416 64.4 152.9 95.8 -2.2 22.6 -28.3 6.0 59 68 A I < - 0 0 6 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.426 51.2-111.0 -65.0 127.1 21.5 -24.8 5.0 60 69 A P > - 0 0 63 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 -0.280 24.4-118.0 -58.6 145.4 19.9 -24.9 1.5 61 70 A L H > S+ 0 0 39 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.804 111.6 52.0 -55.4 -34.8 22.0 -23.1 -1.1 62 71 A A H >> S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 3,-1.2 0.996 103.1 54.3 -65.1 -63.5 19.4 -20.5 -1.8 63 72 A T H 3> S+ 0 0 39 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.633 100.2 67.9 -46.9 -15.3 18.9 -19.4 1.8 64 73 A I H 3X S+ 0 0 0 -4,-0.7 4,-1.2 -3,-0.2 -1,-0.3 0.979 101.3 42.8 -68.6 -58.5 22.7 -18.9 1.7 65 74 A G H << S+ 0 0 24 -3,-1.2 3,-0.4 -4,-1.1 -2,-0.2 0.890 110.8 56.7 -54.0 -44.0 22.4 -16.0 -0.7 66 75 A E H >X S+ 0 0 150 -4,-1.5 3,-1.6 1,-0.3 4,-0.6 0.930 111.0 42.0 -55.5 -48.3 19.4 -14.6 1.2 67 76 A A H 3< S+ 0 0 19 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.661 108.0 63.3 -72.7 -13.9 21.5 -14.4 4.4 68 77 A F T 3< S+ 0 0 45 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.315 93.1 67.9 -88.3 6.1 24.3 -13.1 2.1 69 78 A G T <4 0 0 63 -3,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.796 360.0 360.0 -93.2 -36.8 22.0 -10.2 1.5 70 79 A V < 0 0 141 -4,-0.6 -2,-0.1 -3,-0.1 -3,-0.1 0.975 360.0 360.0 -78.7 360.0 22.1 -8.6 4.9 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 85 A T 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.8 34.2 -6.9 5.0 73 86 A L - 0 0 21 1,-0.1 2,-0.1 2,-0.1 0, 0.0 0.845 360.0-175.8 37.1 51.2 32.9 -10.2 6.4 74 87 A S >> - 0 0 69 1,-0.1 4,-2.1 4,-0.0 3,-0.9 -0.338 45.2-102.0 -71.5 154.6 33.9 -9.1 9.9 75 88 A A H 3> S+ 0 0 72 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.737 125.9 64.2 -49.4 -20.3 33.5 -11.5 12.8 76 89 A K H 3> S+ 0 0 69 2,-0.2 4,-1.1 1,-0.1 -1,-0.3 0.963 104.2 41.7 -67.0 -54.0 30.4 -9.3 13.4 77 90 A E H X> S+ 0 0 35 -3,-0.9 3,-1.3 1,-0.2 4,-1.0 0.955 113.6 52.9 -57.3 -53.6 28.8 -10.4 10.2 78 91 A W H 3X S+ 0 0 77 -4,-2.1 4,-3.0 1,-0.3 5,-0.4 0.886 98.3 65.3 -49.2 -44.3 29.9 -14.0 10.7 79 92 A K H 3X S+ 0 0 46 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.3 0.900 105.7 47.8 -46.3 -43.3 28.2 -13.9 14.1 80 93 A Q H XX S+ 0 0 97 -3,-1.3 3,-2.1 -4,-1.1 4,-1.8 0.980 116.1 34.7 -61.7 -84.3 25.0 -13.5 12.1 81 94 A L H 3X S+ 0 0 10 -4,-1.0 4,-2.2 1,-0.3 5,-0.2 0.843 117.4 58.5 -37.6 -46.7 25.1 -16.1 9.4 82 95 A S H 3X S+ 0 0 37 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.3 0.856 112.7 38.0 -53.1 -41.5 26.8 -18.4 11.9 83 96 A S H X S+ 0 0 102 -4,-2.2 4,-1.4 1,-0.2 3,-0.8 0.958 106.1 60.6 -62.2 -51.0 16.6 -30.0 12.1 93 106 A I H >X S+ 0 0 75 -4,-3.1 4,-1.8 1,-0.3 3,-0.5 0.870 108.2 45.2 -40.9 -49.7 18.4 -31.9 14.8 94 107 A H H 3X S+ 0 0 116 -4,-2.2 4,-3.0 1,-0.2 -1,-0.3 0.787 102.2 64.3 -66.8 -34.5 15.2 -32.1 16.8 95 108 A T H X S+ 0 0 20 -4,-2.1 3,-1.0 -5,-0.2 4,-0.8 0.780 91.8 79.3 -56.6 -32.9 6.7 -48.3 16.4 107 120 A I H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.914 97.0 40.7 -43.3 -62.9 9.5 -50.9 16.6 108 121 A G H 3< S+ 0 0 78 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.724 117.8 55.1 -62.2 -18.9 7.8 -53.3 19.0 109 122 A C H << + 0 0 80 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.921 63.6 179.3 -77.0 -92.9 4.5 -52.7 17.1 110 123 A G < + 0 0 61 -4,-0.8 -3,-0.1 3,-0.0 -4,-0.1 0.750 41.2 120.6 93.4 27.2 4.9 -53.5 13.5 111 124 A C - 0 0 76 -5,-0.2 3,-0.2 2,-0.1 -5,-0.0 0.825 49.0-163.7 -87.6 -33.8 1.3 -52.8 12.4 112 125 A L - 0 0 110 1,-0.2 2,-0.4 -6,-0.1 3,-0.0 0.896 18.9-169.7 49.0 43.4 2.4 -50.1 10.0 113 126 A S > - 0 0 32 1,-0.2 4,-2.3 2,-0.0 -1,-0.2 -0.547 25.1-151.8 -70.9 117.7 -1.2 -49.0 10.0 114 127 A R T 4 S+ 0 0 201 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.871 98.3 51.6 -53.7 -37.0 -1.9 -46.5 7.3 115 128 A S T 4 S+ 0 0 95 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.949 128.4 6.0 -68.6 -52.7 -4.6 -45.3 9.6 116 129 A D T 4 S+ 0 0 76 1,-0.0 -2,-0.2 -5,-0.0 -1,-0.1 0.679 86.4 112.3-114.7 -16.0 -2.8 -44.8 12.9 117 130 A C >< - 0 0 6 -4,-2.3 3,-4.1 1,-0.2 4,-0.2 -0.444 51.3-151.4 -67.9 99.8 1.0 -45.3 12.8 118 131 A P G > S+ 0 0 63 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.754 96.0 61.3 -36.8 -40.4 2.8 -41.9 13.4 119 132 A L G 3 S+ 0 0 57 1,-0.3 -16,-0.1 -17,-0.3 -2,-0.1 0.806 101.1 57.1 -59.3 -26.1 5.8 -43.0 11.2 120 133 A R G < 0 0 116 -3,-4.1 -1,-0.3 1,-0.2 -3,-0.1 0.273 360.0 360.0 -89.4 10.1 3.3 -43.2 8.5 121 134 A N < 0 0 134 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.429 360.0 360.0-145.4 360.0 2.1 -39.6 8.8