==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 16-OCT-09 2KPJ . COMPND 2 MOLECULE: SOS-RESPONSE TRANSCRIPTIONAL REPRESSOR, LEXA; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE ATCC 33656; . AUTHOR Y.WU,A.ELETSKY,D.LEE,A.GHOSH,W.BUCHWALD,Q.ZHANG,H.JANJUA, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 57.4 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 . 0 0.0 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 . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 1 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.3 19.5 5.6 9.4 2 2 A V + 0 0 154 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.995 360.0 155.1 60.4 66.7 18.5 8.7 7.4 3 3 A K - 0 0 125 3,-0.0 2,-0.4 4,-0.0 -1,-0.2 -0.967 48.8-111.3-126.3 141.8 15.6 7.0 5.7 4 4 A D > - 0 0 72 -2,-0.4 4,-1.3 1,-0.2 5,-0.1 -0.595 18.9-150.2 -74.5 126.1 12.4 8.6 4.3 5 5 A K H > S+ 0 0 154 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.846 92.8 60.7 -67.2 -34.4 9.4 7.6 6.4 6 6 A Q H > S+ 0 0 76 1,-0.2 4,-3.2 2,-0.2 3,-0.3 0.939 106.0 45.5 -59.7 -49.3 7.0 7.7 3.4 7 7 A K H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 111.3 54.7 -63.3 -30.2 8.9 5.0 1.5 8 8 A A H X S+ 0 0 23 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.813 112.3 43.0 -72.3 -31.1 9.0 3.0 4.8 9 9 A I H X S+ 0 0 28 -4,-1.9 4,-3.1 -3,-0.3 5,-0.3 0.931 112.8 51.4 -76.3 -49.2 5.2 3.3 5.0 10 10 A F H X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.917 114.9 42.8 -53.5 -49.1 4.6 2.6 1.3 11 11 A S H X S+ 0 0 9 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.913 112.5 54.1 -65.6 -42.4 6.8 -0.5 1.5 12 12 A E H X S+ 0 0 104 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.931 115.2 39.5 -56.0 -48.7 5.2 -1.6 4.8 13 13 A N H X S+ 0 0 4 -4,-3.1 4,-1.4 55,-0.3 -2,-0.2 0.937 118.4 47.1 -67.9 -48.0 1.7 -1.3 3.3 14 14 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 3,-0.4 0.934 110.1 52.7 -60.0 -48.2 2.7 -2.8 -0.0 15 15 A N H X S+ 0 0 49 -4,-3.5 4,-3.0 1,-0.2 -1,-0.2 0.813 102.4 61.5 -58.5 -32.4 4.6 -5.7 1.6 16 16 A S H < S+ 0 0 30 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.2 0.944 109.3 39.8 -59.2 -48.6 1.5 -6.5 3.7 17 17 A Y H >< S+ 0 0 74 -4,-1.4 3,-0.6 -3,-0.4 4,-0.4 0.896 116.8 50.3 -69.4 -40.4 -0.6 -7.2 0.5 18 18 A I H >< S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.937 109.8 49.0 -63.1 -47.0 2.3 -9.0 -1.2 19 19 A A T 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.547 104.5 61.4 -73.5 -7.2 3.0 -11.3 1.8 20 20 A K T < S+ 0 0 165 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.2 0.564 98.4 71.9 -90.4 -11.6 -0.7 -12.0 1.9 21 21 A S S < S- 0 0 49 -3,-1.6 -3,-0.0 -4,-0.4 0, 0.0 -0.645 75.1-141.8 -99.8 159.1 -0.5 -13.5 -1.5 22 22 A E S S+ 0 0 197 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.336 75.0 101.3-100.9 4.4 1.2 -16.8 -2.5 23 23 A K S S- 0 0 93 -5,-0.2 -2,-0.2 1,-0.1 -3,-0.0 -0.762 75.6-121.5 -87.9 134.3 2.5 -15.3 -5.7 24 24 A T >> - 0 0 81 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.179 21.9-107.0 -72.0 165.3 6.2 -14.3 -5.6 25 25 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.865 124.8 55.5 -56.5 -36.7 7.6 -10.8 -6.1 26 26 A L H 3> S+ 0 0 88 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.791 107.0 50.9 -68.1 -29.3 8.8 -12.2 -9.5 27 27 A E H <> S+ 0 0 68 -3,-0.5 4,-1.3 2,-0.2 3,-0.5 0.953 112.1 43.4 -70.6 -52.8 5.3 -13.2 -10.3 28 28 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.864 106.0 64.0 -63.7 -36.9 3.7 -9.8 -9.5 29 29 A A H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-2.6 0.871 102.7 47.8 -55.8 -40.9 6.4 -8.0 -11.3 30 30 A K H <5S+ 0 0 127 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.884 110.1 51.7 -70.5 -38.5 5.5 -9.5 -14.7 31 31 A S H <5S+ 0 0 54 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 114.4 43.5 -65.4 -38.1 1.8 -8.8 -14.3 32 32 A I H <5S- 0 0 30 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.915 116.7-114.3 -72.6 -44.6 2.6 -5.1 -13.5 33 33 A G T <5S+ 0 0 62 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.724 73.0 110.2 111.8 37.4 5.2 -4.8 -16.3 34 34 A V < - 0 0 22 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.754 67.6 -94.4-130.9 176.4 8.4 -4.3 -14.4 35 35 A S >> - 0 0 71 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.671 33.0-116.6 -94.0 152.5 11.7 -6.1 -13.7 36 36 A P H 3> S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.838 116.8 55.3 -56.2 -35.4 12.2 -8.2 -10.5 37 37 A Q H 3> S+ 0 0 145 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.821 106.8 50.7 -67.0 -31.2 15.0 -5.8 -9.5 38 38 A T H <> S+ 0 0 53 -3,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.886 112.7 45.2 -72.7 -39.1 12.6 -2.9 -9.8 39 39 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.851 107.0 61.2 -71.2 -34.8 10.1 -4.7 -7.6 40 40 A N H X S+ 0 0 58 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 102.0 50.2 -59.5 -42.8 12.8 -5.6 -5.2 41 41 A T H <>S+ 0 0 42 -4,-1.3 5,-3.2 1,-0.2 6,-1.1 0.798 109.7 52.0 -70.7 -27.6 13.7 -2.0 -4.4 42 42 A W H ><5S+ 0 0 8 -4,-0.9 3,-1.4 3,-0.2 -2,-0.2 0.925 109.2 48.8 -69.7 -45.0 10.0 -1.3 -3.7 43 43 A C H 3<5S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.776 111.4 50.2 -67.6 -27.3 9.6 -4.2 -1.3 44 44 A K T 3<5S- 0 0 130 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.428 113.5-121.2 -88.7 -0.1 12.8 -3.0 0.5 45 45 A G T < 5S+ 0 0 5 -3,-1.4 -3,-0.2 2,-0.2 -41,-0.2 0.833 75.6 127.3 64.1 34.4 11.3 0.5 0.7 46 46 A I S > - 0 0 175 1,-0.1 4,-2.5 4,-0.0 3,-1.6 -0.263 45.4 -92.7 -75.6 170.1 5.8 6.7 -10.5 51 51 A M H 3> S+ 0 0 156 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.840 123.8 60.5 -53.7 -39.1 2.1 7.2 -10.6 52 52 A G H 3> S+ 0 0 57 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.802 113.6 36.1 -60.9 -29.8 1.7 4.9 -13.6 53 53 A K H <> S+ 0 0 86 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.800 113.2 55.7 -94.4 -33.9 3.1 2.0 -11.6 54 54 A V H X S+ 0 0 15 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.929 111.1 46.2 -62.4 -44.1 1.6 2.9 -8.2 55 55 A Q H X S+ 0 0 81 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.888 110.8 53.6 -64.1 -38.3 -1.9 2.9 -9.8 56 56 A A H X S+ 0 0 30 -4,-0.7 4,-2.0 -5,-0.3 -2,-0.2 0.895 108.1 50.1 -63.7 -41.3 -1.0 -0.4 -11.6 57 57 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.960 115.4 41.5 -60.6 -52.0 -0.1 -2.0 -8.2 58 58 A A H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.7 0.871 113.6 54.1 -64.7 -37.6 -3.3 -0.9 -6.6 59 59 A D H <5S+ 0 0 120 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.857 108.7 48.8 -66.0 -35.7 -5.3 -1.8 -9.7 60 60 A Y H <5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.5 43.6 -74.7 -34.5 -4.0 -5.3 -9.7 61 61 A F H <5S- 0 0 44 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.520 112.2-120.5 -86.2 -5.5 -4.7 -5.9 -6.0 62 62 A N T <5S+ 0 0 146 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.968 73.3 117.8 59.6 55.5 -8.1 -4.3 -6.4 63 63 A I < - 0 0 35 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.843 68.3 -92.9-138.2 176.0 -7.3 -1.6 -3.8 64 64 A N > - 0 0 106 -2,-0.3 3,-1.2 1,-0.1 4,-0.5 -0.693 23.9-129.6 -93.6 147.5 -7.0 2.2 -3.6 65 65 A K T >> S+ 0 0 110 -2,-0.3 3,-1.5 1,-0.3 4,-1.4 0.838 110.4 66.7 -61.4 -29.9 -3.6 3.9 -4.1 66 66 A S H 3> S+ 0 0 57 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.794 90.2 63.5 -59.7 -28.1 -4.5 5.7 -0.9 67 67 A D H <4 S+ 0 0 55 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.749 108.2 41.0 -68.9 -24.4 -4.2 2.3 0.9 68 68 A L H <4 S+ 0 0 0 -3,-1.5 -55,-0.3 -4,-0.5 -54,-0.2 0.691 118.3 45.9 -93.6 -23.7 -0.5 2.3 -0.0 69 69 A I H < S+ 0 0 65 -4,-1.4 2,-0.2 -56,-0.1 -2,-0.2 0.870 102.1 66.9 -88.8 -42.2 0.2 6.0 0.7 70 70 A E S < S- 0 0 129 -4,-2.6 -57,-0.0 -5,-0.2 0, 0.0 -0.547 92.1 -99.1 -87.3 149.9 -1.5 6.4 4.0 71 71 A D - 0 0 63 -2,-0.2 2,-1.2 1,-0.1 -1,-0.1 -0.218 31.1-110.6 -67.1 153.7 -0.3 4.7 7.2 72 72 A K S S+ 0 0 89 1,-0.2 2,-1.2 -4,-0.1 -1,-0.1 -0.087 72.9 132.7 -78.8 41.5 -1.9 1.5 8.5 73 73 A K + 0 0 154 -2,-1.2 2,-2.5 1,-0.1 -1,-0.2 -0.249 31.4 171.1 -83.7 46.9 -3.4 3.5 11.4 74 74 A L + 0 0 151 -2,-1.2 2,-0.5 2,-0.0 -1,-0.1 -0.375 18.3 136.7 -70.5 74.6 -6.7 1.9 10.7 75 75 A N - 0 0 137 -2,-2.5 -2,-0.1 2,-0.0 -1,-0.0 -0.950 56.9-124.3-117.7 105.9 -8.7 3.0 13.7 76 76 A I + 0 0 111 -2,-0.5 2,-0.4 1,-0.0 14,-0.1 -0.253 35.3 173.9 -57.9 128.3 -12.1 4.0 12.5 77 77 A D - 0 0 127 12,-0.0 12,-0.1 -2,-0.0 -2,-0.0 -0.987 45.6 -89.4-140.3 124.7 -13.0 7.5 13.5 78 78 A T - 0 0 68 -2,-0.4 11,-0.1 1,-0.1 9,-0.0 0.023 40.3-160.7 -42.9 125.6 -16.2 9.2 12.3 79 79 A V - 0 0 100 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.836 7.5-147.9-118.7 88.4 -15.5 10.9 9.0 80 80 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 7,-0.0 -0.416 23.7-178.8 -56.7 120.3 -18.2 13.6 8.1 81 81 A I - 0 0 94 2,-0.2 2,-2.2 -2,-0.2 4,-0.2 -0.977 35.4-121.6-128.5 141.0 -18.5 13.7 4.4 82 82 A E S S+ 0 0 206 -2,-0.4 2,-0.3 2,-0.1 0, 0.0 -0.451 86.8 57.1 -82.4 67.7 -20.7 16.0 2.3 83 83 A S S S- 0 0 74 -2,-2.2 2,-1.1 2,-0.1 -2,-0.2 -0.957 100.4 -79.4-173.0 178.6 -22.5 13.1 0.5 84 84 A G S S+ 0 0 90 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.424 70.6 146.6 -93.8 59.6 -24.7 10.1 1.1 85 85 A Y - 0 0 167 -2,-1.1 2,-0.2 -4,-0.2 -4,-0.1 -0.680 51.4-107.6 -96.5 149.0 -21.8 7.8 2.0 86 86 A T + 0 0 121 -2,-0.3 2,-0.3 0, 0.0 -1,-0.1 -0.543 38.6 177.2 -78.1 137.6 -22.1 4.9 4.5 87 87 A L - 0 0 81 -2,-0.2 2,-0.2 -9,-0.0 -9,-0.0 -0.993 13.3-146.9-139.5 147.5 -20.3 5.3 7.9 88 88 A E - 0 0 148 -2,-0.3 2,-0.3 -11,-0.0 -10,-0.0 -0.712 2.4-152.8-113.7 162.5 -20.3 3.1 10.9 89 89 A H - 0 0 112 -2,-0.2 -12,-0.0 1,-0.1 -2,-0.0 -0.983 9.5-177.4-134.4 146.8 -20.1 3.6 14.7 90 90 A H - 0 0 138 -2,-0.3 -1,-0.1 -14,-0.1 0, 0.0 0.833 11.4-172.7-104.2 -71.5 -18.7 1.3 17.4 91 91 A H + 0 0 169 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.897 10.6 167.5 68.0 102.2 -19.2 2.8 20.9 92 92 A H - 0 0 173 2,-0.1 2,-0.8 0, 0.0 -1,-0.2 -0.978 36.8-122.6-142.4 132.1 -17.5 0.9 23.8 93 93 A H 0 0 185 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.649 360.0 360.0 -79.1 111.2 -17.1 2.2 27.3 94 94 A H 0 0 250 -2,-0.8 -2,-0.1 0, 0.0 -1,-0.1 -0.477 360.0 360.0-164.3 360.0 -13.3 2.1 28.0