==== 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 09-JAN-08 3BWG . COMPND 2 MOLECULE: UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATO . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR K.TAN,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 675 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 476 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 28.7 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 48 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.0 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 3 0 1 9 2 0 0 0 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 0 3 2 0 5 0 1 9 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 3 0 0 1 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 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 5 A Q > 0 0 145 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.2 -7.3 9.6 23.9 2 6 A Q H > + 0 0 135 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.641 360.0 60.3 -80.0 -17.9 -8.8 6.1 23.4 3 7 A I H > S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.914 98.3 56.4 -68.6 -44.7 -9.6 7.4 19.8 4 8 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.839 106.7 51.4 -51.2 -39.1 -5.9 7.9 19.3 5 9 A T H X S+ 0 0 83 -4,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.905 109.7 47.3 -66.4 -47.7 -5.5 4.2 20.2 6 10 A E H X S+ 0 0 86 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.946 113.2 49.3 -59.3 -49.2 -8.2 3.1 17.6 7 11 A I H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.944 112.3 48.0 -51.3 -51.9 -6.5 5.3 15.0 8 12 A E H X S+ 0 0 66 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.881 112.6 48.7 -57.8 -41.2 -3.1 3.8 15.9 9 13 A T H X S+ 0 0 63 -4,-2.7 4,-3.5 2,-0.2 -2,-0.2 0.943 110.2 51.3 -61.2 -51.3 -4.7 0.3 15.7 10 14 A Y H X S+ 0 0 64 -4,-3.4 4,-1.8 2,-0.2 -2,-0.2 0.858 108.4 52.4 -48.9 -44.2 -6.2 1.3 12.3 11 15 A I H <>S+ 0 0 16 -4,-2.5 5,-2.3 -5,-0.2 -1,-0.2 0.935 115.6 39.7 -60.5 -46.7 -2.8 2.4 11.2 12 16 A E H ><5S+ 0 0 129 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.859 111.6 58.4 -67.9 -38.1 -1.3 -1.1 12.2 13 17 A E H 3<5S+ 0 0 134 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 113.2 38.5 -60.3 -37.9 -4.4 -2.9 10.9 14 18 A H T 3<5S- 0 0 101 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.310 104.4-128.5 -98.8 7.0 -3.7 -1.4 7.4 15 19 A Q T < 5 - 0 0 158 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.899 41.3-173.8 44.4 46.0 0.0 -1.7 7.6 16 20 A L < - 0 0 29 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.1 -0.385 10.0-141.4 -69.5 152.1 0.3 1.9 6.6 17 21 A Q > - 0 0 110 1,-0.1 3,-1.8 -3,-0.1 45,-0.3 -0.665 33.3 -70.6-110.9 163.8 3.8 3.4 6.0 18 22 A Q T 3 S+ 0 0 55 46,-0.5 45,-0.2 1,-0.2 -1,-0.1 -0.280 118.4 17.0 -47.8 134.3 5.4 6.7 6.8 19 23 A G T 3 S+ 0 0 36 43,-3.5 -1,-0.2 1,-0.3 2,-0.2 0.196 86.7 130.4 87.9 -17.8 3.9 9.5 4.6 20 24 A D < - 0 0 64 -3,-1.8 42,-2.6 42,-0.2 2,-0.3 -0.512 62.2-109.1 -78.2 144.7 0.8 7.7 3.5 21 25 A K B -A 61 0A 122 40,-0.2 40,-0.2 -2,-0.2 3,-0.1 -0.563 20.4-140.1 -86.2 130.7 -2.2 9.9 4.0 22 26 A L - 0 0 7 38,-2.9 38,-0.4 -2,-0.3 3,-0.1 -0.392 44.1 -80.1 -74.3 156.3 -5.0 9.3 6.6 23 27 A P - 0 0 35 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.237 64.6 -85.2 -54.1 152.1 -8.6 9.9 5.7 24 28 A V >> - 0 0 89 -3,-0.1 4,-1.7 1,-0.1 3,-1.1 -0.150 45.4 -95.0 -56.0 151.3 -9.6 13.5 5.7 25 29 A L H 3> S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.791 122.7 48.2 -28.9 -55.4 -10.7 15.2 9.0 26 30 A E H 3> S+ 0 0 109 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.795 107.1 55.6 -69.9 -29.3 -14.5 14.8 8.4 27 31 A T H <> S+ 0 0 72 -3,-1.1 4,-2.8 1,-0.2 3,-0.3 0.907 108.6 49.4 -67.2 -37.6 -14.1 11.1 7.5 28 32 A L H X S+ 0 0 3 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.843 104.2 57.3 -68.7 -36.9 -12.4 10.5 10.9 29 33 A X H <>S+ 0 0 24 -4,-1.6 5,-2.5 1,-0.2 -1,-0.2 0.796 118.4 33.8 -64.9 -27.2 -15.1 12.3 12.9 30 34 A A H <5S+ 0 0 79 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.743 111.4 62.1 -95.8 -32.1 -17.6 9.9 11.5 31 35 A Q H <5S+ 0 0 74 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.710 122.6 23.7 -60.9 -24.2 -15.2 6.9 11.4 32 36 A F T <5S- 0 0 32 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.356 109.1-119.5-124.8 -1.2 -14.9 7.2 15.2 33 37 A E T 5 + 0 0 182 1,-0.2 2,-0.3 -5,-0.2 -3,-0.2 0.922 67.1 121.1 62.5 53.7 -18.2 9.0 15.9 34 38 A V < - 0 0 44 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.937 61.4 -87.3-143.8 165.3 -16.9 12.2 17.5 35 39 A S > - 0 0 70 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 0.031 37.3-114.2 -59.4 169.0 -16.8 16.0 17.3 36 40 A K H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.985 113.8 44.8 -70.0 -66.3 -14.3 18.1 15.3 37 41 A S H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.742 113.8 56.5 -53.7 -24.0 -12.3 19.9 18.1 38 42 A T H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.935 107.6 44.4 -68.6 -51.9 -12.3 16.5 19.8 39 43 A I H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.4 -2,-0.2 0.832 110.2 55.1 -66.2 -32.2 -10.6 14.7 16.9 40 44 A T H X S+ 0 0 45 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.882 108.8 48.6 -69.5 -37.3 -8.1 17.5 16.4 41 45 A K H X S+ 0 0 82 -4,-1.2 4,-1.5 -5,-0.3 -2,-0.2 0.855 108.8 53.4 -62.7 -38.9 -7.1 17.1 20.1 42 46 A S H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.769 112.4 45.8 -66.1 -29.1 -6.8 13.3 19.5 43 47 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.792 104.3 60.4 -81.5 -36.8 -4.5 14.2 16.6 44 48 A E H X S+ 0 0 122 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.856 108.1 47.2 -56.0 -40.9 -2.5 16.7 18.7 45 49 A L H X S+ 0 0 48 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.938 109.4 51.1 -65.5 -52.6 -1.6 13.8 20.9 46 50 A L H <>S+ 0 0 1 -4,-1.3 5,-3.2 2,-0.2 6,-0.9 0.821 112.4 47.9 -58.5 -33.2 -0.7 11.5 18.1 47 51 A E H ><5S+ 0 0 51 -4,-2.0 3,-1.6 2,-0.2 -1,-0.2 0.948 110.8 48.7 -72.8 -51.2 1.7 14.1 16.7 48 52 A Q H 3<5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.2 52.9 -49.1 -37.2 3.3 14.9 20.1 49 53 A K T 3<5S- 0 0 46 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.616 116.3-115.5 -76.4 -16.5 3.6 11.1 20.3 50 54 A G T < 5S+ 0 0 6 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.658 84.8 114.9 82.3 18.8 5.4 10.7 16.8 51 55 A A S > -B 59 0A 32 4,-2.3 3,-2.6 -2,-0.4 4,-2.0 -0.952 34.6-115.7-132.6 115.5 1.1 19.7 7.0 56 60 A R T 34 S+ 0 0 245 -2,-0.4 4,-0.0 1,-0.3 -2,-0.0 -0.260 98.7 7.5 -55.4 123.0 -1.4 22.5 6.7 57 61 A G T 34 S+ 0 0 84 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.490 124.5 64.9 82.2 5.8 -3.3 22.2 3.4 58 62 A S T <4 S- 0 0 70 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.633 99.8-115.1-111.6 -51.6 -1.8 18.8 2.4 59 63 A G E < - B 0 55A 21 -4,-2.0 -4,-2.3 2,-0.0 2,-0.4 -0.991 31.1 -53.2 152.1-161.5 -3.1 16.5 5.1 60 64 A I E - B 0 54A 23 -38,-0.4 -38,-2.9 -2,-0.3 2,-0.4 -0.990 51.8-165.7-126.6 134.5 -2.4 14.3 8.0 61 65 A F E -AB 21 53A 28 -8,-2.7 -8,-2.6 -2,-0.4 -40,-0.2 -0.938 22.5-110.6-134.0 133.4 0.2 11.6 7.4 62 66 A V E - B 0 52A 0 -42,-2.6 -43,-3.5 -2,-0.4 2,-0.5 -0.386 27.9-152.0 -68.3 143.3 1.3 8.5 9.2 63 67 A R + 0 0 9 -12,-2.6 2,-0.3 -45,-0.2 -45,-0.1 -0.985 29.4 148.0-119.7 125.2 4.7 8.6 10.8 64 68 A K - 0 0 91 -2,-0.5 -46,-0.5 -12,-0.0 2,-0.1 -0.838 36.8-138.0-160.6 114.8 6.7 5.4 11.2 65 69 A H - 0 0 41 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.440 20.4-131.5 -72.2 157.4 10.4 4.8 11.1 66 70 A K + 0 0 118 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.284 66.9 105.7-100.2 10.2 11.5 1.6 9.1 67 71 A R - 0 0 47 2,-0.0 2,-0.3 3,-0.0 3,-0.2 -0.609 51.6-149.9 -93.6 153.2 13.9 -0.0 11.6 68 72 A K + 0 0 174 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.787 68.7 37.5-112.3 161.5 13.3 -3.2 13.8 69 73 A G S S+ 0 0 47 -2,-0.3 2,-0.4 1,-0.2 148,-0.2 0.604 77.4 132.4 82.6 14.0 14.7 -4.2 17.2 70 74 A Y - 0 0 32 -3,-0.2 2,-0.4 146,-0.1 148,-0.3 -0.850 49.1-141.2-106.3 137.5 14.8 -0.7 18.8 71 75 A I E -c 218 0B 30 146,-3.3 148,-1.9 -2,-0.4 2,-0.4 -0.779 29.2-114.9 -91.6 129.9 13.4 -0.0 22.3 72 76 A S E -c 219 0B 37 -2,-0.4 148,-0.2 146,-0.2 6,-0.1 -0.533 19.8-149.3 -68.2 124.2 11.6 3.3 22.5 73 77 A L S S+ 0 0 16 146,-2.7 2,-0.6 -2,-0.4 -1,-0.2 0.926 83.1 61.3 -57.7 -44.9 13.7 5.5 24.9 74 78 A L S > S- 0 0 12 145,-0.4 3,-1.9 1,-0.2 4,-0.5 -0.790 83.1-138.3 -96.5 118.6 10.6 7.5 26.2 75 79 A S G > S+ 0 0 51 -2,-0.6 3,-1.2 1,-0.3 2,-0.6 0.877 100.8 47.5 -42.3 -57.0 8.1 5.2 27.9 76 80 A N G 3 S+ 0 0 119 1,-0.2 -1,-0.3 378,-0.1 -3,-0.1 -0.021 93.8 76.9 -84.1 36.2 5.1 6.9 26.3 77 81 A Q G < 0 0 25 -3,-1.9 -1,-0.2 -2,-0.6 -2,-0.2 0.559 360.0 360.0-110.9 -19.4 6.4 6.9 22.7 78 82 A G < 0 0 82 -3,-1.2 -1,-0.2 -4,-0.5 -7,-0.0 -0.989 360.0 360.0-126.5 360.0 5.7 3.2 22.1 79 ! 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 80 89 A D 0 0 186 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.7 6.7 -8.0 21.3 81 90 A F - 0 0 99 2,-0.0 2,-1.4 39,-0.0 39,-0.0 -0.904 360.0-146.1 -82.9 111.2 9.7 -7.4 23.5 82 91 A N + 0 0 89 -2,-0.8 39,-2.2 2,-0.0 2,-0.5 -0.644 29.9 176.6 -80.4 88.6 9.4 -10.4 25.9 83 92 A V E +J 120 0C 46 -2,-1.4 2,-0.2 37,-0.2 37,-0.2 -0.847 9.6 172.8-108.4 123.0 10.8 -8.8 29.1 84 93 A T E -J 119 0C 76 35,-1.7 35,-3.4 -2,-0.5 2,-0.4 -0.759 17.1-139.8-118.8 165.3 11.0 -10.4 32.5 85 94 A S E -J 118 0C 20 61,-0.5 2,-0.6 33,-0.2 33,-0.2 -0.987 8.7-153.0-132.6 140.6 12.6 -9.4 35.9 86 95 A K E -J 117 0C 129 31,-3.2 31,-2.7 -2,-0.4 2,-0.5 -0.956 26.0-140.4-104.0 117.0 14.5 -10.9 38.7 87 96 A V E +J 116 0C 27 -2,-0.6 29,-0.2 29,-0.2 3,-0.1 -0.700 25.1 175.0 -79.3 120.5 13.9 -9.0 41.8 88 97 A I E - 0 0 50 27,-2.7 2,-0.3 -2,-0.5 28,-0.2 0.853 66.7 -0.6 -88.1 -48.1 17.1 -8.6 43.9 89 98 A E E +J 115 0C 66 26,-1.8 26,-2.4 2,-0.0 -1,-0.4 -0.992 55.5 172.1-145.2 147.8 15.8 -6.3 46.7 90 99 A L E +J 114 0C 47 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.865 25.3 127.6-156.8 123.3 12.6 -4.6 47.6 91 100 A D E -J 113 0C 59 22,-1.7 22,-2.5 -2,-0.3 2,-0.5 -0.946 56.6 -95.2-159.5 177.0 12.0 -2.8 50.9 92 101 A V E +J 112 0C 67 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.952 54.2 158.1-105.3 133.3 10.9 0.4 52.7 93 102 A R E -J 111 0C 84 18,-2.2 18,-2.6 -2,-0.5 3,-0.0 -0.930 47.2 -99.4-152.0 153.2 13.9 2.6 53.5 94 103 A K - 0 0 115 -2,-0.3 16,-0.1 16,-0.2 14,-0.1 -0.578 55.8-104.2 -73.0 147.2 14.7 6.2 54.3 95 104 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.453 24.3-120.4 -76.2 153.9 16.1 7.9 51.1 96 105 A T > - 0 0 65 1,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.475 39.7-100.5 -69.3 157.0 19.8 8.6 50.6 97 106 A P H > S+ 0 0 44 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.836 125.7 53.5 -48.9 -35.7 20.5 12.3 50.1 98 107 A E H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.862 110.6 44.6 -67.6 -40.8 20.6 11.6 46.3 99 108 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.927 112.7 52.0 -69.6 -39.2 17.2 9.9 46.2 100 109 A A H X>S+ 0 0 8 -4,-2.8 5,-2.5 1,-0.2 4,-0.9 0.920 111.0 47.7 -66.1 -40.4 15.7 12.6 48.4 101 110 A E H <5S+ 0 0 49 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.904 113.5 46.7 -66.1 -42.4 17.0 15.4 46.1 102 111 A N H <5S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 118.8 40.4 -69.8 -30.4 15.7 13.6 42.9 103 112 A L H <5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.470 108.2-123.9 -93.0 -4.5 12.2 12.9 44.4 104 113 A N T <5 + 0 0 119 -4,-0.9 2,-0.3 -3,-0.2 -3,-0.2 0.918 65.6 130.1 61.3 47.7 12.0 16.3 46.0 105 114 A I < - 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