==== 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-DEC-07 3BRQ . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ASCG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.U.SINGER,O.KAGAN,E.EVDOKIMOVA,J.OSIPIUK,A.JOACHIMIAK,A.M.E . 548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.2 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 . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 0 2 0 0 1 3 6 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 6 2 3 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 2 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 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 17 A T 0 0 144 0, 0.0 32,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.0 -13.4 50.2 10.6 2 18 A Q - 0 0 57 30,-0.2 32,-2.3 57,-0.1 2,-0.4 -0.433 360.0-135.3 -79.9 159.4 -13.2 51.1 14.3 3 19 A T E -a 34 0A 5 55,-0.3 57,-2.1 30,-0.2 58,-1.2 -0.953 7.0-155.3-121.3 135.9 -11.1 54.0 15.6 4 20 A L E -ab 35 61A 0 30,-3.1 32,-2.5 -2,-0.4 2,-0.4 -0.933 17.9-153.1-102.1 127.0 -8.7 54.3 18.4 5 21 A G E -ab 36 62A 0 56,-2.7 58,-2.9 -2,-0.5 2,-0.4 -0.844 5.3-160.7-104.3 142.7 -8.4 57.8 19.8 6 22 A L E -ab 37 63A 0 30,-2.6 32,-3.0 -2,-0.4 2,-0.6 -0.990 2.0-160.8-124.4 124.9 -5.2 59.0 21.5 7 23 A V E +ab 38 64A 0 56,-2.6 58,-2.7 -2,-0.4 2,-0.4 -0.942 22.5 159.4-106.6 118.8 -5.2 62.1 23.7 8 24 A V E - b 0 65A 0 30,-2.2 33,-0.3 -2,-0.6 32,-0.2 -0.936 37.0-125.1-141.3 119.9 -1.7 63.5 24.3 9 25 A T > - 0 0 0 56,-0.7 3,-1.9 -2,-0.4 4,-0.1 -0.283 21.0-124.6 -53.0 143.9 -0.9 67.1 25.4 10 26 A N G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.680 105.5 77.3 -73.6 -14.7 1.4 69.0 23.2 11 27 A T G 3 S+ 0 0 42 30,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.688 96.4 49.6 -64.7 -19.0 3.7 69.7 26.1 12 28 A L G < S+ 0 0 25 -3,-1.9 2,-2.5 1,-0.1 -1,-0.3 0.360 76.4 107.6 -97.9 3.7 4.8 66.0 25.4 13 29 A Y < 0 0 1 -3,-1.7 284,-0.2 1,-0.3 -1,-0.1 -0.376 360.0 360.0 -82.2 61.2 5.4 66.5 21.7 14 30 A H 0 0 126 -2,-2.5 -1,-0.3 283,-0.0 4,-0.1 0.203 360.0 360.0-152.9 360.0 9.1 66.3 22.2 15 ! 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 16 33 A Y > 0 0 72 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.6 9.7 58.9 23.3 17 34 A F H > + 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 360.0 53.3 -68.4 -44.3 6.9 60.8 21.7 18 35 A S H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 112.9 46.7 -50.8 -42.4 8.3 60.1 18.2 19 36 A E H > S+ 0 0 64 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.941 109.9 51.0 -68.0 -58.2 8.3 56.4 19.2 20 37 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.885 111.9 47.0 -48.7 -48.8 4.8 56.3 20.7 21 38 A L H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.967 114.8 46.0 -64.8 -46.4 3.3 57.9 17.6 22 39 A F H X S+ 0 0 33 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.942 120.2 39.7 -57.0 -50.0 5.1 55.6 15.2 23 40 A H H X S+ 0 0 41 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.834 112.7 51.7 -75.7 -39.6 4.3 52.5 17.2 24 41 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.932 115.7 44.3 -59.7 -45.5 0.7 53.3 18.2 25 42 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.4 -2,-0.2 0.952 114.6 48.1 -63.4 -50.2 -0.1 53.9 14.5 26 43 A R H X S+ 0 0 60 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.920 114.3 45.7 -55.8 -47.5 1.8 50.9 13.3 27 44 A X H X S+ 0 0 19 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.881 110.5 53.4 -67.8 -36.9 0.1 48.6 15.9 28 45 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 3,-0.6 0.936 111.1 47.6 -60.9 -42.5 -3.3 50.1 15.1 29 46 A E H ><5S+ 0 0 39 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.888 104.7 58.2 -67.3 -37.9 -2.7 49.3 11.3 30 47 A E H 3<5S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.755 111.8 44.2 -63.0 -19.2 -1.6 45.7 12.0 31 48 A K T <<5S- 0 0 93 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.345 119.4-110.3-107.2 1.5 -5.0 45.2 13.7 32 49 A G T < 5S+ 0 0 47 -3,-1.4 2,-0.3 1,-0.3 -30,-0.2 0.691 74.1 128.3 82.6 24.2 -7.0 47.0 11.0 33 50 A R < - 0 0 32 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.751 57.4-120.0-113.1 158.2 -8.0 50.1 13.0 34 51 A Q E -a 3 0A 14 -32,-2.3 -30,-3.1 -2,-0.3 2,-0.4 -0.828 21.2-146.5 -96.4 128.2 -7.7 53.8 12.5 35 52 A L E +a 4 0A 6 -2,-0.4 279,-2.1 -32,-0.2 2,-0.4 -0.840 17.7 180.0 -91.6 133.8 -5.6 56.0 14.9 36 53 A L E -aC 5 313A 0 -32,-2.5 -30,-2.6 -2,-0.4 2,-0.4 -1.000 10.2-156.9-128.9 132.3 -6.8 59.5 15.6 37 54 A L E -aC 6 312A 2 275,-2.6 275,-2.4 -2,-0.4 2,-0.3 -0.937 6.1-168.5-116.2 140.5 -5.0 61.8 18.0 38 55 A A E -aC 7 311A 1 -32,-3.0 -30,-2.2 -2,-0.4 2,-0.6 -0.894 27.2-113.5-119.6 153.0 -6.3 64.8 19.9 39 56 A D - 0 0 1 271,-0.7 -30,-0.3 -2,-0.3 271,-0.1 -0.723 13.5-161.2 -93.4 118.6 -4.3 67.5 21.8 40 57 A G > - 0 0 0 -2,-0.6 3,-0.9 -32,-0.2 -31,-0.3 0.571 31.3-169.4 -73.6 -11.3 -4.8 67.5 25.6 41 58 A K T 3 - 0 0 10 -33,-0.3 -30,-0.5 1,-0.2 -1,-0.2 -0.258 44.6 -38.5 63.7-129.7 -3.4 71.1 25.6 42 59 A H T 3 S+ 0 0 59 -33,-0.1 2,-0.3 -32,-0.1 -1,-0.2 -0.082 109.6 47.5-133.6 36.3 -2.6 72.7 28.9 43 60 A S S <> S- 0 0 35 -3,-0.9 4,-1.6 1,-0.1 26,-0.2 -0.965 75.5-112.8-168.2 155.7 -5.1 71.8 31.6 44 61 A A H > S+ 0 0 22 24,-0.3 4,-2.9 -2,-0.3 3,-0.4 0.934 118.7 55.1 -59.1 -49.3 -7.1 68.9 33.2 45 62 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 108.4 47.6 -51.1 -41.9 -10.3 70.4 31.7 46 63 A E H > S+ 0 0 52 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.816 111.2 49.7 -72.6 -28.7 -8.8 70.4 28.2 47 64 A E H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.942 113.0 47.7 -74.3 -47.4 -7.5 66.8 28.5 48 65 A R H X S+ 0 0 82 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.891 111.5 49.9 -51.6 -49.3 -11.0 65.8 29.7 49 66 A Q H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.772 106.4 57.7 -60.6 -32.1 -12.6 67.7 26.8 50 67 A A H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.936 107.1 47.2 -63.8 -48.4 -10.1 65.9 24.4 51 68 A I H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.927 114.0 46.4 -56.6 -50.6 -11.4 62.6 25.5 52 69 A Q H X S+ 0 0 71 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.884 109.4 56.0 -59.6 -41.4 -15.1 63.7 25.1 53 70 A Y H >X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 3,-0.5 0.985 108.9 45.9 -55.4 -58.1 -14.3 65.2 21.7 54 71 A L H 3<>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.3 -1,-0.2 0.828 112.5 51.2 -54.8 -41.9 -12.9 61.9 20.4 55 72 A L H ><5S+ 0 0 7 -4,-2.0 3,-1.5 3,-0.2 -1,-0.3 0.866 108.1 51.1 -57.8 -44.2 -15.9 60.0 21.8 56 73 A D H <<5S+ 0 0 109 -4,-2.5 -2,-0.2 -3,-0.5 -1,-0.2 0.675 104.7 57.3 -72.6 -18.7 -18.4 62.3 20.2 57 74 A L T 3<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.266 125.7-110.6 -86.3 5.2 -16.5 61.7 16.9 58 75 A R T < 5 + 0 0 207 -3,-1.5 -55,-0.3 1,-0.2 -3,-0.2 0.768 53.5 171.0 69.7 31.8 -17.4 58.1 17.6 59 76 A C < - 0 0 1 -5,-2.4 -1,-0.2 1,-0.1 -55,-0.2 -0.497 30.8-140.7 -59.3 143.7 -13.9 56.7 18.4 60 77 A D S S+ 0 0 54 -57,-2.1 2,-0.3 1,-0.2 -56,-0.2 0.761 76.1 5.8 -85.7 -26.2 -14.5 53.2 19.7 61 78 A A E -b 4 0A 0 -58,-1.2 -56,-2.7 22,-0.2 2,-0.4 -0.978 69.0-139.9-156.2 153.7 -11.8 53.3 22.5 62 79 A I E -bd 5 85A 0 22,-2.7 24,-2.8 -2,-0.3 2,-0.5 -0.964 8.6-168.2-124.8 135.7 -9.5 55.9 24.0 63 80 A X E -bd 6 86A 0 -58,-2.9 -56,-2.6 -2,-0.4 2,-0.4 -0.992 15.5-167.3-113.3 133.0 -5.9 56.0 25.2 64 81 A I E -bd 7 87A 0 22,-2.4 24,-3.0 -2,-0.5 -56,-0.2 -0.930 20.8-163.1-116.9 141.4 -4.7 59.0 27.1 65 82 A Y E -b 8 0A 25 -58,-2.7 -56,-0.7 -2,-0.4 -25,-0.1 -0.876 34.6-157.7-115.2 89.3 -1.2 60.0 28.1 66 83 A P + 0 0 0 0, 0.0 -22,-0.1 0, 0.0 -58,-0.0 -0.359 34.7 164.5 -79.6 150.4 -2.2 62.5 30.8 67 84 A R S S+ 0 0 62 -24,-0.1 -23,-0.1 -27,-0.1 -25,-0.0 0.471 84.6 22.5-122.7 -30.0 -0.2 65.4 32.2 68 85 A F S S+ 0 0 82 -25,-0.2 -24,-0.3 -24,-0.1 2,-0.1 0.785 98.4 87.5-115.1 -38.6 -2.8 67.4 34.1 69 86 A L S S- 0 0 8 -26,-0.2 2,-0.1 -25,-0.2 -24,-0.0 -0.405 70.8-135.4 -63.5 134.6 -5.7 65.1 34.9 70 87 A S > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.389 22.5-108.1 -85.4 171.3 -5.3 63.2 38.2 71 88 A V H > S+ 0 0 17 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.902 120.7 55.7 -69.8 -39.0 -6.1 59.5 38.7 72 89 A D H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.977 111.6 45.6 -52.7 -56.0 -9.2 60.2 40.7 73 90 A E H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.847 114.4 47.9 -50.8 -43.1 -10.3 62.3 37.7 74 91 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.882 108.4 53.2 -70.6 -40.2 -9.3 59.6 35.3 75 92 A D H X S+ 0 0 9 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.901 110.2 49.5 -62.8 -38.4 -11.0 56.8 37.2 76 93 A D H X S+ 0 0 105 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.862 107.6 52.2 -68.4 -40.5 -14.2 58.8 37.2 77 94 A I H < S+ 0 0 16 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.933 110.0 51.5 -57.3 -43.3 -14.0 59.4 33.4 78 95 A I H >< S+ 0 0 12 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.895 109.1 49.2 -58.7 -43.2 -13.6 55.6 33.0 79 96 A D H 3< S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.823 106.2 57.7 -68.8 -31.4 -16.8 55.0 35.2 80 97 A A T 3< S+ 0 0 76 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.2 0.401 104.3 58.7 -79.7 -0.7 -18.9 57.5 33.1 81 98 A H < - 0 0 48 -3,-1.1 4,-0.1 -4,-0.3 0, 0.0 -0.985 56.8-157.4-136.7 144.6 -18.3 55.7 29.8 82 99 A S S S+ 0 0 118 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.716 73.8 94.3 -87.7 -26.5 -18.9 52.3 28.3 83 100 A Q S S- 0 0 65 1,-0.1 -22,-0.2 -24,-0.1 2,-0.1 -0.455 94.4 -96.7 -61.7 136.4 -16.2 52.8 25.6 84 101 A P - 0 0 18 0, 0.0 -22,-2.7 0, 0.0 2,-0.4 -0.389 46.6-176.1 -51.3 123.5 -12.8 51.3 26.7 85 102 A I E +d 62 0A 2 -24,-0.2 2,-0.3 -4,-0.1 -22,-0.2 -0.999 4.6 175.6-130.8 126.7 -10.7 54.1 28.1 86 103 A X E -d 63 0A 0 -24,-2.8 -22,-2.4 -2,-0.4 2,-0.4 -0.890 19.8-137.4-134.0 164.3 -7.1 53.4 29.1 87 104 A V E -de 64 99A 0 11,-2.2 13,-2.3 -2,-0.3 2,-0.4 -0.951 8.0-148.6-128.8 132.9 -4.1 55.4 30.4 88 105 A L E S+ e 0 100A 0 -24,-3.0 13,-0.2 -2,-0.4 3,-0.1 -0.897 78.4 4.1-105.2 134.1 -0.5 55.2 29.4 89 106 A N S S+ 0 0 10 11,-3.0 2,-0.4 -2,-0.4 12,-0.2 0.651 107.0 93.7 73.2 24.4 2.3 56.0 32.0 90 107 A R - 0 0 48 10,-0.4 2,-0.6 -3,-0.3 10,-0.2 -0.991 69.4-131.1-146.3 143.1 0.1 56.5 35.0 91 108 A R - 0 0 160 -2,-0.4 2,-0.3 8,-0.1 5,-0.1 -0.877 21.6-149.8 -99.4 121.1 -1.0 54.1 37.6 92 109 A L - 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