==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 24-OCT-08 2W24 . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.SHRIVASTAVA,R.RAMACHANDRAN . 295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 73.2 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 . 71 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 0 2 0 0 0 2 2 1 1 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 1 4 0 2 2 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 1 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 A 0 0 128 0, 0.0 2,-0.3 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 96.4 28.6 31.6 8.7 2 5 A L - 0 0 36 3,-0.0 5,-0.0 4,-0.0 0, 0.0 -0.844 360.0-161.6-133.1 100.8 30.0 29.4 11.6 3 6 A D > - 0 0 66 -2,-0.3 4,-1.3 1,-0.1 0, 0.0 0.006 40.7 -92.2 -71.4 177.7 33.7 29.5 12.7 4 7 A D H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.730 124.0 56.7 -58.3 -30.9 35.5 26.8 14.7 5 8 A I H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 105.2 49.1 -72.0 -49.8 34.7 28.7 18.0 6 9 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.828 107.3 58.3 -57.8 -30.7 31.0 28.6 17.4 7 10 A R H X S+ 0 0 72 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.950 106.4 46.3 -66.9 -49.7 31.3 24.9 16.7 8 11 A I H X S+ 0 0 58 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.916 112.9 50.7 -52.6 -46.4 32.8 24.1 20.0 9 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 112.9 43.8 -63.7 -44.1 30.1 26.3 21.8 10 13 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.891 113.7 51.9 -69.1 -38.5 27.1 24.6 20.1 11 14 A R H X S+ 0 0 110 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.954 113.5 42.9 -60.1 -50.1 28.6 21.2 20.6 12 15 A E H X S+ 0 0 47 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.853 113.3 51.4 -64.3 -37.6 29.2 21.8 24.4 13 16 A L H < S+ 0 0 0 -4,-2.4 188,-1.3 -5,-0.3 -1,-0.2 0.821 108.0 53.8 -72.9 -25.1 25.8 23.4 24.8 14 17 A A H < S+ 0 0 16 -4,-1.8 3,-0.3 186,-0.2 -2,-0.2 0.931 113.3 42.3 -64.3 -48.3 24.3 20.3 23.0 15 18 A A H < S+ 0 0 82 -4,-2.0 184,-0.3 1,-0.3 2,-0.2 0.779 137.6 9.5 -69.8 -27.4 26.0 18.0 25.6 16 19 A D >< - 0 0 63 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.3 -0.685 57.8-174.1-161.4 98.2 25.1 20.3 28.5 17 20 A G T 3 S+ 0 0 1 182,-1.0 183,-0.2 -3,-0.3 -4,-0.1 0.447 88.5 56.5 -80.8 -3.9 22.7 23.2 28.2 18 21 A R T 3 S+ 0 0 56 181,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.205 73.2 140.5-102.9 8.2 23.4 24.4 31.7 19 22 A A < - 0 0 4 -3,-1.7 2,-0.1 -7,-0.2 -3,-0.0 -0.288 57.1-117.0 -50.1 131.8 27.2 24.7 31.1 20 23 A T > - 0 0 77 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.432 15.9-116.6 -74.2 151.7 28.3 27.8 32.9 21 24 A L H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 116.0 53.7 -54.0 -42.6 29.7 30.7 30.9 22 25 A S H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 107.7 49.6 -61.5 -42.7 33.1 30.3 32.7 23 26 A E H > S+ 0 0 95 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.918 112.4 47.6 -60.8 -42.2 33.3 26.6 31.9 24 27 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.945 110.2 54.7 -62.0 -48.9 32.5 27.4 28.2 25 28 A A H X>S+ 0 0 4 -4,-2.8 5,-2.3 1,-0.2 4,-1.0 0.872 107.8 46.8 -44.9 -50.1 35.2 30.2 28.2 26 29 A T H <5S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 113.0 50.0 -78.5 -21.0 38.0 28.0 29.4 27 30 A R H <5S+ 0 0 98 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.793 117.6 38.6 -78.3 -34.8 37.1 25.3 26.8 28 31 A A H <5S- 0 0 14 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.524 110.1-121.3 -88.9 -5.0 37.0 27.8 23.9 29 32 A G T <5S+ 0 0 68 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.914 73.0 116.4 62.1 46.7 40.0 29.8 25.2 30 33 A L S - 0 0 72 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.544 38.3-112.0 -76.9 161.0 36.9 35.4 28.1 32 35 A V H > S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.881 119.6 53.2 -64.3 -35.5 33.5 34.9 29.8 33 36 A S H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.844 106.5 48.9 -64.4 -45.0 32.4 38.1 28.1 34 37 A A H > S+ 0 0 32 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.866 112.6 51.5 -64.1 -35.6 33.4 37.0 24.6 35 38 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.942 109.2 49.1 -63.2 -49.6 31.5 33.7 25.3 36 39 A Q H X S+ 0 0 75 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.933 113.6 45.7 -57.6 -44.8 28.4 35.4 26.4 37 40 A S H X S+ 0 0 76 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.881 112.8 48.1 -74.6 -39.5 28.3 37.6 23.4 38 41 A R H X S+ 0 0 43 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 111.8 52.3 -59.1 -41.9 29.1 34.8 20.9 39 42 A V H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.946 109.4 49.4 -62.6 -48.3 26.3 32.6 22.6 40 43 A R H X S+ 0 0 152 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.784 107.7 53.4 -55.9 -35.7 23.8 35.5 22.2 41 44 A R H X S+ 0 0 94 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.961 109.4 48.9 -66.5 -50.8 24.7 35.9 18.6 42 45 A L H < S+ 0 0 0 -4,-2.1 6,-1.3 1,-0.2 -2,-0.2 0.871 112.8 49.3 -44.7 -48.7 24.0 32.1 18.1 43 46 A E H < S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 111.0 46.6 -66.8 -42.6 20.7 32.6 19.9 44 47 A S H < S+ 0 0 103 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.797 113.2 55.0 -76.4 -25.1 19.5 35.6 17.8 45 48 A R S < S- 0 0 87 -4,-2.2 3,-0.3 -5,-0.1 -3,-0.0 -0.120 115.7 -82.2 -83.1-166.2 20.5 33.9 14.5 46 49 A G S S+ 0 0 45 1,-0.2 158,-0.3 -2,-0.1 -4,-0.1 0.839 103.4 90.4 -63.5 -22.9 19.0 30.5 13.7 47 50 A V S S+ 0 0 5 -6,-0.1 157,-1.9 -5,-0.1 2,-0.5 0.670 83.3 31.7 -70.7 -43.5 21.4 28.5 15.6 48 51 A V E -A 203 0A 6 -6,-1.3 155,-0.2 -3,-0.3 3,-0.1 -0.959 61.0-173.9-114.2 122.0 20.3 27.8 19.2 49 52 A Q E - 0 0 97 153,-3.1 2,-0.3 -2,-0.5 154,-0.1 0.593 58.4 -57.4-101.5 -9.4 16.5 27.6 19.4 50 53 A G E - 0 0 18 152,-0.4 152,-2.7 2,-0.0 -1,-0.4 -0.927 52.9 -94.2 157.7-175.4 16.2 27.3 23.1 51 54 A Y E -A 201 0A 17 112,-0.3 114,-2.2 -2,-0.3 2,-0.4 -0.997 36.9-177.6-132.7 140.1 17.3 25.2 26.0 52 55 A S E -A 200 0A 13 148,-2.3 148,-2.5 -2,-0.4 2,-0.4 -0.990 29.2-125.8-140.5 137.9 15.3 22.3 27.5 53 56 A A E -A 199 0A 0 108,-2.8 2,-0.9 -2,-0.4 146,-0.2 -0.708 36.2-123.5 -68.2 131.2 15.5 19.8 30.4 54 57 A R E - 0 0 40 144,-2.2 143,-3.2 -2,-0.4 144,-0.5 -0.781 33.3-158.7 -80.6 106.5 15.1 16.3 28.9 55 58 A I E -A 196 0A 10 -2,-0.9 141,-0.2 141,-0.2 140,-0.1 -0.739 19.6-120.4 -89.3 137.8 12.1 14.9 30.9 56 59 A N > - 0 0 39 139,-2.5 4,-1.1 -2,-0.4 3,-0.3 -0.668 21.0-155.5 -73.8 115.3 11.4 11.1 31.2 57 60 A P T 4>S+ 0 0 33 0, 0.0 5,-2.2 0, 0.0 3,-0.5 0.901 90.2 56.4 -71.5 -32.8 8.0 10.8 29.7 58 61 A E T >45S+ 0 0 125 1,-0.2 3,-1.2 3,-0.2 5,-0.1 0.890 103.4 55.0 -58.0 -38.0 7.2 7.6 31.7 59 62 A A T 345S+ 0 0 40 1,-0.3 -1,-0.2 -3,-0.3 136,-0.1 0.741 108.1 47.2 -72.1 -24.2 7.9 9.4 35.0 60 63 A V T 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.386 128.4 -94.5 -96.0 9.1 5.5 12.1 34.3 61 64 A G T < 5S+ 0 0 31 -3,-1.2 2,-1.3 -4,-0.3 -3,-0.2 0.530 83.2 128.8 101.5 0.2 2.8 9.7 33.3 62 65 A H < + 0 0 16 -5,-2.2 48,-0.2 1,-0.2 -1,-0.2 -0.749 22.5 162.7 -85.3 85.6 3.0 9.4 29.5 63 66 A L + 0 0 115 -2,-1.3 2,-0.4 46,-0.3 47,-0.2 0.545 58.7 52.0 -84.8 -7.2 3.2 5.6 29.3 64 67 A L E +B 109 0B 45 45,-2.0 45,-2.8 -3,-0.1 2,-0.3 -0.993 60.6 178.0-132.9 132.3 2.2 5.4 25.6 65 68 A S E +BC 108 135B 14 70,-0.5 70,-2.8 -2,-0.4 2,-0.3 -0.958 7.6 177.2-127.5 150.9 3.8 7.2 22.7 66 69 A A E -BC 107 134B 0 41,-2.3 41,-2.7 -2,-0.3 2,-0.5 -0.991 30.3-126.6-152.1 153.8 2.9 7.0 19.0 67 70 A F E -BC 106 133B 16 66,-3.1 66,-3.1 -2,-0.3 2,-0.5 -0.869 28.2-166.8 -91.6 134.1 3.7 8.3 15.6 68 71 A V E -BC 105 132B 0 37,-2.8 37,-3.0 -2,-0.5 2,-0.4 -0.973 6.2-160.1-125.2 117.9 0.7 9.4 13.8 69 72 A A E -BC 104 131B 4 62,-3.0 62,-2.0 -2,-0.5 2,-0.4 -0.832 17.1-164.2 -91.5 137.0 0.8 10.1 10.1 70 73 A I E -BC 103 130B 0 33,-2.7 33,-2.0 -2,-0.4 32,-1.9 -0.927 14.2-174.0-127.6 143.6 -2.1 12.3 8.9 71 74 A T E - C 0 129B 22 58,-2.0 58,-3.1 -2,-0.4 30,-0.1 -0.997 35.6 -99.8-136.5 133.2 -3.5 13.2 5.6 72 75 A P E - C 0 128B 19 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.224 16.5-145.6 -47.4 125.4 -6.3 15.8 4.6 73 76 A L S S+ 0 0 94 54,-2.7 55,-0.2 1,-0.3 54,-0.1 0.738 101.8 22.7 -63.7 -24.4 -9.8 14.4 4.2 74 77 A D S S- 0 0 67 53,-0.5 -1,-0.3 3,-0.1 3,-0.1 -0.848 75.1-161.1-147.4 105.3 -10.1 17.1 1.5 75 78 A P S S+ 0 0 112 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.326 77.1 76.8 -75.2 0.5 -6.7 18.4 0.1 76 79 A S + 0 0 87 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.967 68.2 85.5 -64.4 -80.0 -8.1 21.7 -1.4 77 80 A Q S S- 0 0 106 -3,-0.1 3,-0.2 1,-0.1 -3,-0.1 0.152 101.6-102.1 -30.9 121.0 -8.5 23.8 1.9 78 81 A P - 0 0 118 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.139 54.0 -76.1 -66.0 159.5 -5.0 25.2 2.1 79 82 A D + 0 0 68 1,-0.2 4,-0.1 -4,-0.1 -2,-0.1 -0.406 65.3 151.2 -78.7 118.2 -3.0 23.4 4.6 80 83 A D >> + 0 0 75 -2,-0.5 4,-1.8 -3,-0.2 3,-1.1 0.537 36.0 108.2-111.5 -29.0 -3.8 24.4 8.1 81 84 A A H 3> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.713 77.4 48.0 -45.5 -50.8 -3.1 21.2 10.0 82 85 A P H 3> S+ 0 0 8 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.929 115.7 47.0 -56.3 -42.7 0.1 22.2 11.9 83 86 A A H X4 S+ 0 0 64 -3,-1.1 3,-1.0 1,-0.2 4,-0.4 0.963 113.7 46.4 -61.2 -55.7 -1.5 25.5 13.1 84 87 A R H 3< S+ 0 0 125 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.742 113.7 48.9 -59.4 -24.7 -4.8 23.9 14.1 85 88 A L H >< S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.3 6,-0.3 0.551 86.0 89.2 -93.0 -9.0 -3.0 21.0 16.1 86 89 A E T << S+ 0 0 113 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.1 0.785 82.9 56.8 -59.2 -25.7 -0.7 23.4 17.9 87 90 A H T 3 S+ 0 0 120 -3,-0.5 2,-0.7 -4,-0.4 -1,-0.3 0.404 83.0 91.5 -94.6 3.5 -3.2 23.8 20.6 88 91 A I X - 0 0 0 -3,-2.0 3,-1.4 1,-0.1 -3,-0.0 -0.889 64.7-160.1 -92.0 114.1 -3.4 20.0 21.4 89 92 A E T 3 S+ 0 0 116 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.780 81.7 67.2 -78.8 -23.0 -0.8 19.7 24.1 90 93 A E T 3 S+ 0 0 44 17,-0.1 18,-1.9 -3,-0.1 2,-0.8 0.670 79.6 91.2 -74.5 -6.2 -0.3 16.0 23.6 91 94 A V E < +D 107 0B 0 -3,-1.4 16,-0.2 -6,-0.3 3,-0.1 -0.752 50.3 175.3 -83.5 114.7 1.2 16.6 20.3 92 95 A E E + 0 0 16 14,-2.2 199,-2.1 -2,-0.8 2,-0.3 0.688 61.4 15.6 -92.5 -24.3 5.0 17.0 20.8 93 96 A S E -D 106 0B 2 13,-1.2 13,-1.4 196,-0.2 2,-0.4 -0.995 53.7-167.6-150.0 159.0 6.2 17.3 17.2 94 97 A C E +DE 105 288B 0 194,-2.3 193,-2.6 -2,-0.3 194,-1.1 -0.954 11.4 172.1-154.3 119.5 4.9 17.9 13.8 95 98 A Y E -DE 104 286B 15 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.960 26.8-135.5-127.3 138.7 6.8 17.4 10.5 96 99 A S E -DE 103 285B 5 189,-2.2 188,-2.6 -2,-0.4 189,-1.2 -0.784 33.7-169.7 -90.5 159.4 5.5 17.5 6.9 97 100 A V E - E 0 283B 2 5,-1.8 2,-0.3 -2,-0.3 186,-0.2 -0.861 22.6-110.8-150.4 148.7 6.8 14.7 4.8 98 101 A A S S+ 0 0 37 184,-2.1 2,-0.3 -2,-0.3 3,-0.2 -0.719 75.4 43.7 -84.1 158.8 7.1 13.5 1.3 99 102 A G S S- 0 0 48 198,-3.0 -2,-0.1 -2,-0.3 182,-0.0 -0.847 111.4 -24.6 111.8-148.8 5.0 10.5 0.1 100 103 A E S S+ 0 0 191 -2,-0.3 2,-0.2 -29,-0.0 -1,-0.2 0.839 122.2 54.6 -77.8 -28.7 1.4 9.3 0.6 101 104 A E - 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