==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 14-JUN-10 3NHZ . COMPND 2 MOLECULE: TWO COMPONENT SYSTEM TRANSCRIPTIONAL REGULATOR MT . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.M.BARBIERI,T.R.MACK,V.L.ROBINSON,M.T.MILLER,A.M.STOCK . 469 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 18.8 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 . 31 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 2 0 4 0 1 6 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 8 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 4 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 4 A M 0 0 202 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.4 -6.8 11.7 0.4 2 5 A R - 0 0 111 1,-0.1 25,-0.1 25,-0.0 2,-0.1 -0.402 360.0 -90.6 -79.7 159.3 -4.6 9.7 -2.1 3 6 A Q - 0 0 88 23,-0.3 25,-2.4 -2,-0.1 2,-0.4 -0.385 39.9-140.1 -71.0 147.9 -5.9 8.0 -5.2 4 7 A R E -a 28 0A 76 23,-0.2 44,-1.5 42,-0.2 45,-1.2 -0.927 12.9-166.6-118.5 133.5 -7.0 4.4 -4.9 5 8 A I E -ab 29 49A 0 23,-2.5 25,-1.4 -2,-0.4 2,-0.5 -0.974 8.7-152.9-118.3 126.9 -6.5 1.6 -7.3 6 9 A L E -ab 30 50A 1 43,-2.4 45,-3.0 -2,-0.5 2,-0.5 -0.870 10.3-157.3 -97.6 128.1 -8.3 -1.7 -7.1 7 10 A V E -ab 31 51A 0 23,-2.5 25,-2.3 -2,-0.5 2,-0.6 -0.920 8.7-172.6-107.3 125.9 -6.5 -4.6 -8.5 8 11 A V E +ab 32 52A 0 43,-2.6 45,-2.4 -2,-0.5 2,-0.3 -0.848 33.1 127.4-118.0 92.2 -8.5 -7.6 -9.6 9 12 A D - 0 0 3 23,-1.4 47,-0.1 -2,-0.6 6,-0.1 -0.999 54.9-142.6-146.7 143.2 -6.1 -10.4 -10.6 10 13 A D S S+ 0 0 82 45,-0.3 2,-1.1 -2,-0.3 3,-0.1 0.577 80.5 95.9 -78.6 -9.2 -5.7 -14.0 -9.7 11 14 A D > - 0 0 73 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.727 55.3-174.0 -87.2 98.0 -1.9 -13.7 -9.9 12 15 A A H > S+ 0 0 78 -2,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.851 81.2 49.7 -63.7 -40.5 -1.1 -13.1 -6.3 13 16 A S H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 112.2 46.7 -64.8 -46.0 2.6 -12.5 -6.9 14 17 A L H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.844 110.8 54.5 -62.6 -37.7 1.9 -10.0 -9.7 15 18 A A H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.807 105.4 51.9 -65.7 -36.3 -0.7 -8.3 -7.5 16 19 A E H X S+ 0 0 112 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.883 109.4 50.6 -66.1 -40.9 1.9 -7.9 -4.7 17 20 A M H X S+ 0 0 73 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.899 110.3 48.6 -63.4 -42.0 4.2 -6.3 -7.2 18 21 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.864 110.0 54.4 -63.6 -36.2 1.5 -3.9 -8.3 19 22 A T H X S+ 0 0 12 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.943 112.4 40.6 -63.9 -48.8 0.8 -3.2 -4.8 20 23 A I H X S+ 0 0 101 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 118.5 45.7 -64.5 -49.5 4.3 -2.2 -4.0 21 24 A V H X S+ 0 0 40 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.905 115.8 44.7 -62.6 -46.1 4.9 -0.3 -7.2 22 25 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 -5,-0.2 3,-0.5 0.868 113.1 51.1 -65.4 -39.2 1.7 1.6 -7.1 23 26 A R H ><5S+ 0 0 127 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.832 107.2 55.1 -64.7 -35.6 2.1 2.4 -3.4 24 27 A G H 3<5S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.656 104.0 55.5 -67.9 -21.6 5.5 3.6 -4.3 25 28 A E T <<5S- 0 0 93 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.324 129.0 -93.9 -94.5 6.8 4.0 5.9 -6.8 26 29 A G T < 5S+ 0 0 32 -3,-1.1 -23,-0.3 1,-0.3 -3,-0.2 0.521 85.4 120.2 93.9 7.8 1.7 7.5 -4.2 27 30 A F < - 0 0 2 -5,-2.2 2,-0.3 -25,-0.1 -1,-0.3 -0.575 56.8-128.8 -99.1 167.1 -1.4 5.4 -4.6 28 31 A D E -a 4 0A 38 -25,-2.4 -23,-2.5 -2,-0.2 2,-0.3 -0.855 31.0-158.6-108.5 147.7 -3.4 3.3 -2.2 29 32 A T E -a 5 0A 8 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.936 20.9-176.6-134.2 154.4 -4.2 -0.2 -3.2 30 33 A A E -a 6 0A 23 -25,-1.4 -23,-2.5 -2,-0.3 2,-0.4 -0.974 17.0-151.0-139.1 149.1 -6.5 -3.0 -2.6 31 34 A V E +a 7 0A 65 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.976 14.7 176.7-127.1 138.6 -6.5 -6.5 -4.2 32 35 A I E -a 8 0A 19 -25,-2.3 -23,-1.4 -2,-0.4 -2,-0.0 -0.981 14.6-162.2-130.9 148.7 -9.1 -9.0 -4.9 33 36 A G + 0 0 31 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.1 0.433 69.7 67.1-107.2 -1.6 -8.6 -12.3 -6.7 34 37 A D > - 0 0 45 22,-0.1 3,-0.9 1,-0.1 4,-0.2 -0.974 65.7-144.7-128.0 135.5 -12.1 -13.1 -7.7 35 38 A G G > S+ 0 0 2 22,-1.4 3,-1.7 24,-0.5 4,-0.4 0.839 97.0 66.5 -62.4 -36.0 -14.5 -11.4 -10.0 36 39 A T G 3 S+ 0 0 32 1,-0.3 4,-0.3 21,-0.2 3,-0.3 0.768 100.4 51.0 -61.5 -25.6 -17.5 -12.2 -7.9 37 40 A Q G <> S+ 0 0 97 -3,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.436 85.2 91.4 -93.1 3.8 -16.2 -9.8 -5.2 38 41 A A H <> S+ 0 0 1 -3,-1.7 4,-2.4 -4,-0.2 5,-0.2 0.877 81.7 50.3 -64.5 -45.1 -15.6 -6.9 -7.5 39 42 A L H > S+ 0 0 4 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.904 113.7 45.3 -63.0 -44.3 -18.9 -5.1 -7.2 40 43 A T H > S+ 0 0 54 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.901 113.4 51.4 -64.7 -40.8 -18.9 -5.2 -3.5 41 44 A A H X S+ 0 0 13 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.881 111.2 47.3 -63.1 -42.9 -15.3 -4.1 -3.5 42 45 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 3,-0.2 -2,-0.2 0.908 113.7 46.6 -65.7 -43.8 -16.0 -1.2 -5.7 43 46 A R H < S+ 0 0 78 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 122.0 36.4 -65.3 -44.0 -18.9 -0.0 -3.8 44 47 A E H < S+ 0 0 153 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.941 125.9 36.2 -71.3 -55.1 -17.2 -0.3 -0.5 45 48 A L H < S- 0 0 55 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.804 86.7-151.9 -67.2 -33.3 -13.7 0.8 -1.5 46 49 A R < - 0 0 133 -4,-1.9 -42,-0.2 -5,-0.4 -4,-0.1 0.932 22.1-159.9 55.6 52.9 -14.8 3.4 -4.0 47 50 A P - 0 0 9 0, 0.0 -42,-0.2 0, 0.0 -1,-0.1 -0.284 25.7-140.8 -70.7 145.6 -11.7 3.2 -6.2 48 51 A D S S+ 0 0 68 -44,-1.5 2,-0.3 1,-0.2 -43,-0.2 0.719 88.9 6.3 -69.6 -29.5 -10.4 5.7 -8.6 49 52 A L E -b 5 0A 0 -45,-1.2 -43,-2.4 25,-0.1 2,-0.5 -0.972 65.1-143.4-155.4 149.5 -9.5 3.1 -11.0 50 53 A V E -bc 6 76A 0 25,-2.4 27,-2.5 -2,-0.3 2,-0.7 -0.951 5.8-155.5-115.0 129.3 -9.8 -0.6 -11.4 51 54 A L E -bc 7 77A 0 -45,-3.0 -43,-2.6 -2,-0.5 2,-0.6 -0.920 24.1-165.3-100.1 116.2 -7.1 -2.7 -12.9 52 55 A L E -bc 8 78A 0 25,-2.9 27,-2.2 -2,-0.7 2,-0.2 -0.881 18.1-142.7-119.9 114.6 -8.9 -5.8 -14.2 53 56 A D E - c 0 79A 6 -45,-2.4 27,-0.2 -2,-0.6 8,-0.1 -0.455 16.4-140.9 -67.3 132.7 -7.4 -9.1 -15.3 54 57 A L S S+ 0 0 0 25,-2.3 7,-2.1 1,-0.2 2,-0.7 0.824 88.7 48.6 -65.7 -37.0 -9.3 -10.4 -18.3 55 58 A M S S+ 0 0 58 24,-0.3 -45,-0.3 5,-0.2 -1,-0.2 -0.919 75.6 156.2-112.2 113.5 -9.3 -14.0 -17.2 56 59 A L - 0 0 20 -2,-0.7 2,-0.1 2,-0.1 -22,-0.1 -0.816 44.6-103.6-127.3 165.3 -10.3 -14.5 -13.7 57 60 A P S S+ 0 0 57 0, 0.0 -22,-1.4 0, 0.0 2,-0.3 -0.449 99.7 11.6 -75.3 165.3 -11.7 -17.2 -11.5 58 61 A G S S+ 0 0 62 -24,-0.2 2,-0.2 -2,-0.1 -2,-0.1 -0.510 136.3 15.7 60.8-127.6 -15.4 -16.9 -10.7 59 62 A M S S- 0 0 8 -2,-0.3 -24,-0.5 1,-0.1 2,-0.1 -0.505 86.6-126.3 -73.2 140.8 -16.5 -14.2 -13.0 60 63 A N > - 0 0 48 -2,-0.2 4,-2.3 -5,-0.1 3,-0.2 -0.414 28.3 -99.0 -83.7 166.9 -14.3 -13.3 -16.0 61 64 A G H > S+ 0 0 0 -7,-2.1 4,-1.8 1,-0.2 -6,-0.1 0.758 120.1 50.9 -61.3 -36.0 -13.1 -9.8 -16.8 62 65 A I H > S+ 0 0 11 -8,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.910 113.2 46.5 -65.5 -43.9 -15.6 -9.0 -19.4 63 66 A D H > S+ 0 0 31 2,-0.2 4,-1.6 -3,-0.2 -2,-0.2 0.871 113.3 49.5 -63.1 -43.1 -18.4 -10.0 -17.2 64 67 A V H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.863 107.5 55.3 -64.0 -39.4 -16.9 -8.1 -14.4 65 68 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.876 106.1 51.0 -63.2 -40.4 -16.6 -5.1 -16.6 66 69 A R H X S+ 0 0 86 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.918 110.9 47.2 -63.2 -45.7 -20.2 -5.1 -17.5 67 70 A V H X S+ 0 0 3 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.912 116.0 44.8 -62.4 -45.5 -21.3 -5.3 -13.9 68 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 6,-0.3 0.870 110.6 53.6 -64.8 -41.4 -19.0 -2.5 -12.9 69 72 A R H < S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 107.1 52.8 -63.8 -34.9 -19.9 -0.4 -15.9 70 73 A A H < S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.867 111.5 46.3 -65.4 -41.8 -23.5 -0.7 -14.9 71 74 A D H < S- 0 0 37 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.873 125.6 -27.6 -66.9 -44.9 -22.8 0.5 -11.4 72 75 A S < - 0 0 34 -4,-2.4 -1,-0.2 2,-0.1 0, 0.0 -0.938 54.9 -96.5-160.9-177.5 -20.6 3.4 -12.3 73 76 A G + 0 0 66 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 0.043 61.6 144.7-101.8 20.1 -18.3 5.3 -14.6 74 77 A V - 0 0 14 -6,-0.3 -25,-0.1 1,-0.1 -2,-0.1 -0.400 57.4-105.0 -63.2 134.6 -15.1 4.3 -12.8 75 78 A P - 0 0 25 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.379 36.2-163.2 -66.4 136.5 -12.3 3.8 -15.2 76 79 A I E -c 50 0A 0 19,-0.2 21,-2.5 -27,-0.2 22,-1.1 -0.985 8.8-169.2-125.5 130.1 -11.3 0.2 -15.9 77 80 A V E -cd 51 98A 1 -27,-2.5 -25,-2.9 -2,-0.4 22,-0.3 -0.980 19.6-137.6-118.7 122.1 -8.1 -1.0 -17.5 78 81 A M E -cd 52 99A 0 20,-2.1 22,-1.8 -2,-0.5 2,-0.5 -0.443 3.9-147.0 -72.9 147.4 -7.9 -4.5 -18.6 79 82 A L E +cd 53 100A 0 -27,-2.2 -25,-2.3 20,-0.2 2,-0.4 -0.978 29.2 174.5-113.8 118.1 -4.8 -6.7 -18.0 80 83 A T E - d 0 101A 7 20,-3.2 22,-2.6 -2,-0.5 2,-0.3 -0.961 23.0-150.9-135.1 149.6 -4.4 -9.1 -20.7 81 84 A A E > - d 0 102A 17 -2,-0.4 3,-1.5 20,-0.2 20,-0.0 -0.833 30.0-119.8-113.3 152.4 -1.9 -11.7 -21.8 82 85 A K T 3 S+ 0 0 164 20,-0.7 -1,-0.1 -2,-0.3 19,-0.0 0.823 114.4 60.4 -61.6 -28.2 -1.1 -12.8 -25.3 83 86 A T T 3 S+ 0 0 112 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.759 76.6 116.5 -66.7 -27.0 -2.2 -16.2 -24.2 84 87 A D < - 0 0 31 -3,-1.5 4,-0.1 1,-0.1 -4,-0.0 -0.163 53.7-155.5 -56.7 129.9 -5.7 -15.2 -23.2 85 88 A T S S+ 0 0 130 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.849 72.8 78.5 -68.2 -40.4 -8.4 -16.9 -25.3 86 89 A V S S- 0 0 43 1,-0.1 2,-0.4 2,-0.0 -32,-0.1 -0.454 89.6-110.8 -71.6 147.7 -11.0 -14.1 -24.8 87 90 A D >> - 0 0 99 1,-0.1 4,-0.7 -2,-0.1 3,-0.7 -0.656 13.8-152.1 -88.4 126.9 -10.7 -11.0 -26.8 88 91 A V H 3> S+ 0 0 16 -2,-0.4 4,-1.2 1,-0.2 3,-0.4 0.778 94.0 65.1 -65.9 -29.4 -9.7 -7.9 -25.0 89 92 A V H 3> S+ 0 0 32 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.838 94.8 60.9 -63.6 -28.4 -11.6 -5.6 -27.4 90 93 A L H <> S+ 0 0 81 -3,-0.7 4,-0.9 1,-0.2 -1,-0.3 0.885 102.3 53.0 -61.9 -39.6 -14.7 -7.3 -26.2 91 94 A G H <>S+ 0 0 0 -4,-0.7 5,-2.2 -3,-0.4 -1,-0.2 0.806 104.6 52.9 -64.1 -36.6 -13.7 -5.9 -22.9 92 95 A L H ><5S+ 0 0 21 -4,-1.2 3,-0.8 3,-0.2 -1,-0.2 0.820 108.7 51.0 -66.1 -36.2 -13.4 -2.4 -24.2 93 96 A E H 3<5S+ 0 0 142 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.694 101.6 60.3 -71.6 -23.9 -16.9 -2.7 -25.7 94 97 A S T 3<5S- 0 0 22 -4,-0.9 -1,-0.2 -5,-0.1 -25,-0.2 0.367 136.6 -86.1 -86.2 4.9 -18.2 -3.8 -22.3 95 98 A G T < 5S+ 0 0 20 -3,-0.8 -19,-0.2 1,-0.3 -3,-0.2 0.430 77.9 146.3 105.1 3.2 -17.0 -0.5 -21.1 96 99 A A < - 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