==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-JUN-06 2IVM . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.SHRIVASTAVA,R.RAMACHANDRAN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 73.8 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 . 70 23.8 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0 0 2 0 0 1 2 1 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 3 1 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 0 123 0, 0.0 2,-0.4 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 92.0 29.0 31.3 9.2 2 5 A L - 0 0 31 4,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.889 360.0-167.9-125.8 101.7 30.1 28.9 12.0 3 6 A D > - 0 0 74 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.087 42.6 -88.1 -76.2-177.9 33.9 29.1 12.9 4 7 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.819 126.4 52.1 -63.5 -34.6 35.7 26.6 15.1 5 8 A I H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 109.7 48.2 -66.9 -51.8 34.9 28.4 18.3 6 9 A D H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 109.6 54.4 -55.1 -44.3 31.2 28.5 17.6 7 10 A R H X S+ 0 0 71 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 107.9 49.4 -54.1 -52.2 31.4 24.7 16.7 8 11 A I H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.7 51.7 -53.2 -43.6 32.9 24.0 20.1 9 12 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 110.0 47.6 -65.2 -43.0 30.2 26.0 22.0 10 13 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 191,-0.2 0.887 110.5 52.0 -68.9 -37.1 27.3 24.2 20.3 11 14 A R H X S+ 0 0 133 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.950 114.0 44.3 -56.0 -53.2 28.8 20.7 20.9 12 15 A E H X S+ 0 0 58 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.857 114.0 48.1 -61.5 -37.4 29.3 21.6 24.6 13 16 A L H < S+ 0 0 0 -4,-2.3 188,-1.1 2,-0.2 -1,-0.2 0.868 110.9 52.5 -74.8 -29.6 25.8 23.1 24.9 14 17 A A H < S+ 0 0 15 -4,-2.3 3,-0.3 186,-0.2 -2,-0.2 0.952 116.1 39.9 -63.0 -49.4 24.3 20.0 23.1 15 18 A A H < S+ 0 0 84 -4,-2.6 184,-0.3 1,-0.2 2,-0.2 0.786 137.5 13.1 -71.4 -30.9 26.0 17.6 25.6 16 19 A D >< - 0 0 68 -4,-2.2 3,-1.7 -5,-0.2 184,-0.3 -0.741 59.6-175.4-151.0 102.8 25.3 19.9 28.6 17 20 A G T 3 S+ 0 0 0 182,-1.2 183,-0.2 1,-0.3 -4,-0.1 0.492 88.3 55.5 -83.1 -7.1 22.8 22.8 28.3 18 21 A R T 3 S+ 0 0 63 181,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.053 72.8 141.3-103.9 13.8 23.6 24.1 31.8 19 22 A G < - 0 0 5 -3,-1.7 2,-0.2 -7,-0.2 -3,-0.0 -0.395 53.3-129.4 -47.0 125.0 27.4 24.4 31.0 20 23 A T >> - 0 0 82 1,-0.1 4,-2.2 -2,-0.0 3,-0.7 -0.612 14.9-112.1 -81.6 157.9 28.2 27.6 32.8 21 24 A L H 3> S+ 0 0 47 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.853 115.4 59.0 -59.8 -39.0 30.1 30.3 30.9 22 25 A S H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.908 109.5 44.7 -57.1 -38.4 33.2 29.9 33.0 23 26 A E H <> S+ 0 0 96 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.909 113.9 48.8 -70.7 -41.1 33.4 26.2 31.9 24 27 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.881 111.1 53.2 -61.1 -40.6 32.6 27.1 28.3 25 28 A A H X>S+ 0 0 5 -4,-3.2 5,-2.3 2,-0.2 4,-0.9 0.923 109.3 44.5 -60.7 -50.8 35.3 29.8 28.4 26 29 A T H <5S+ 0 0 113 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.866 113.6 54.1 -69.8 -29.6 38.1 27.7 29.6 27 30 A R H <5S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.791 116.6 34.9 -68.7 -32.6 37.1 25.1 27.1 28 31 A A H <5S- 0 0 16 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.364 108.9-117.6 -98.5 4.1 37.2 27.5 24.1 29 32 A G T <5S+ 0 0 69 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.920 76.0 118.0 57.6 45.5 40.2 29.5 25.3 30 33 A L S - 0 0 71 -2,-0.3 4,-2.4 -3,-0.1 3,-0.3 -0.599 37.7-110.1 -81.3 158.7 37.1 35.1 28.2 32 35 A V H > S+ 0 0 71 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.817 120.2 52.4 -56.0 -35.7 33.7 34.7 29.9 33 36 A S H > S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.853 107.5 48.8 -70.3 -39.5 32.6 37.9 28.2 34 37 A A H > S+ 0 0 29 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.9 50.1 -70.1 -33.5 33.6 36.7 24.8 35 38 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.944 108.1 51.3 -67.6 -50.1 31.7 33.4 25.4 36 39 A Q H X S+ 0 0 78 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.832 111.6 49.7 -56.5 -30.1 28.6 35.1 26.5 37 40 A S H X S+ 0 0 78 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.952 110.2 46.5 -74.2 -55.8 28.8 37.1 23.4 38 41 A R H X S+ 0 0 45 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.909 112.9 52.8 -39.7 -55.8 29.2 34.2 21.0 39 42 A V H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.901 108.2 49.2 -57.7 -47.6 26.4 32.4 22.8 40 43 A R H X S+ 0 0 161 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.859 111.2 49.4 -55.9 -42.8 24.0 35.3 22.5 41 44 A R H X S+ 0 0 111 -4,-1.7 4,-2.7 2,-0.2 6,-0.2 0.935 108.3 53.6 -65.8 -44.0 24.7 35.6 18.7 42 45 A L H < S+ 0 0 0 -4,-2.5 6,-1.4 1,-0.2 5,-0.4 0.914 111.8 48.2 -52.7 -44.0 24.1 31.7 18.4 43 46 A E H < S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.867 112.7 43.9 -66.1 -36.6 20.8 32.4 20.0 44 47 A S H < S+ 0 0 100 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.813 111.4 56.3 -89.9 -29.6 19.7 35.3 17.9 45 48 A R S < S- 0 0 85 -4,-2.7 3,-0.2 -5,-0.2 -3,-0.0 -0.170 117.1 -86.3 -75.1-172.5 20.8 33.8 14.6 46 49 A G S S+ 0 0 48 1,-0.2 158,-0.2 -2,-0.1 161,-0.1 0.670 101.1 93.9 -69.5 -7.5 19.2 30.5 14.0 47 50 A V S S+ 0 0 5 -5,-0.4 157,-2.4 -6,-0.2 2,-0.5 0.822 80.6 35.3 -79.7 -48.2 21.6 28.2 15.8 48 51 A V E -A 203 0A 6 -6,-1.4 155,-0.2 -3,-0.2 3,-0.1 -0.915 62.4-174.1-103.5 127.4 20.6 27.5 19.4 49 52 A Q E - 0 0 103 153,-3.4 2,-0.3 -2,-0.5 154,-0.1 0.551 56.1 -56.4-106.8 -10.8 16.8 27.3 19.6 50 53 A G E - 0 0 18 152,-0.5 152,-3.0 2,-0.0 -1,-0.4 -0.890 52.9 -97.5 155.8-174.7 16.4 27.0 23.4 51 54 A Y E -A 201 0A 17 112,-0.3 114,-1.6 -2,-0.3 2,-0.3 -0.986 36.2-178.1-137.2 143.0 17.5 24.9 26.2 52 55 A S E -A 200 0A 11 148,-2.5 148,-2.0 -2,-0.4 2,-0.5 -1.000 31.7-123.2-148.3 134.4 15.5 22.0 27.8 53 56 A A E -A 199 0A 0 108,-2.8 2,-0.8 -2,-0.3 146,-0.2 -0.700 38.2-126.3 -64.8 126.8 15.7 19.4 30.6 54 57 A R E - 0 0 29 144,-2.4 143,-3.7 -2,-0.5 144,-0.5 -0.746 34.7-157.7 -78.1 109.2 15.3 16.1 28.9 55 58 A I E -A 196 0A 7 -2,-0.8 141,-0.2 141,-0.2 140,-0.1 -0.687 20.2-116.9 -98.0 139.9 12.4 14.6 30.9 56 59 A N > - 0 0 39 139,-2.9 4,-1.3 -2,-0.3 6,-0.2 -0.667 21.2-155.6 -78.4 114.6 11.5 10.9 31.2 57 60 A P T >4>S+ 0 0 32 0, 0.0 5,-2.3 0, 0.0 3,-0.5 0.918 93.0 53.2 -65.2 -36.7 8.0 10.7 29.6 58 61 A E G >45S+ 0 0 121 1,-0.2 3,-2.6 3,-0.2 137,-0.1 0.938 101.2 57.5 -54.1 -50.2 7.2 7.6 31.7 59 62 A A G 345S+ 0 0 37 1,-0.3 -1,-0.2 135,-0.2 136,-0.1 0.801 109.0 47.7 -53.8 -32.1 8.1 9.2 35.1 60 63 A V G <<5S- 0 0 3 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.279 128.1 -93.9 -96.3 12.3 5.5 11.9 34.4 61 64 A G T < 5S+ 0 0 32 -3,-2.6 2,-1.1 1,-0.2 -3,-0.2 0.565 82.8 128.6 93.6 9.3 2.7 9.4 33.4 62 65 A H < + 0 0 14 -5,-2.3 48,-0.2 1,-0.2 -1,-0.2 -0.808 21.3 162.2 -96.1 91.0 3.0 9.2 29.6 63 66 A L + 0 0 123 -2,-1.1 2,-0.4 46,-0.4 47,-0.2 0.561 57.9 56.1 -86.5 -6.9 3.1 5.4 29.2 64 67 A L E +B 109 0B 31 45,-2.4 45,-2.5 -3,-0.1 2,-0.4 -0.977 58.5 179.8-131.3 126.8 2.2 5.4 25.5 65 68 A S E +BC 108 135B 13 70,-0.5 70,-2.7 -2,-0.4 2,-0.3 -0.942 8.8 177.3-117.7 147.4 3.9 7.1 22.6 66 69 A A E -BC 107 134B 0 41,-2.1 41,-2.2 -2,-0.4 2,-0.5 -0.974 28.6-132.2-142.4 154.8 2.9 6.9 19.0 67 70 A F E -BC 106 133B 18 66,-2.9 66,-2.8 -2,-0.3 2,-0.5 -0.916 27.0-165.5 -94.1 139.5 3.8 8.3 15.5 68 71 A V E -BC 105 132B 0 37,-2.5 37,-2.8 -2,-0.5 2,-0.4 -0.959 8.1-158.9-126.7 114.1 0.8 9.5 13.7 69 72 A A E -BC 104 131B 4 62,-2.9 62,-2.0 -2,-0.5 2,-0.4 -0.750 18.6-163.6 -81.7 137.8 1.0 10.2 10.0 70 73 A I E -BC 103 130B 0 33,-2.6 33,-2.3 -2,-0.4 32,-2.0 -0.958 14.0-172.4-128.2 141.8 -1.9 12.6 8.9 71 74 A T E - C 0 129B 25 58,-1.9 58,-2.5 -2,-0.4 30,-0.1 -0.992 30.4-111.1-134.2 125.2 -3.3 13.5 5.6 72 75 A P E - C 0 128B 16 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.286 12.7-141.6 -52.7 134.5 -5.9 16.3 4.8 73 76 A L S S+ 0 0 95 54,-2.4 55,-0.1 1,-0.3 54,-0.1 0.843 102.0 30.7 -61.3 -38.5 -9.4 15.2 3.8 74 77 A D S > S+ 0 0 67 53,-0.4 3,-0.7 1,-0.1 -1,-0.3 -0.853 70.6 179.6-121.3 94.4 -9.4 18.1 1.3 75 78 A P T 3 + 0 0 104 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.515 69.1 77.0 -73.4 -0.4 -5.9 18.8 0.1 76 79 A S T 3 S+ 0 0 93 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.874 77.5 81.7 -77.8 -40.1 -6.9 21.7 -2.2 77 80 A Q S < S- 0 0 103 -3,-0.7 3,-0.1 1,-0.1 -3,-0.0 -0.431 102.7 -95.4 -57.4 133.3 -7.3 24.2 0.6 78 81 A P - 0 0 127 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.315 57.2-100.6 -55.0 143.2 -4.0 25.8 1.7 79 82 A D + 0 0 75 1,-0.1 -3,-0.0 -4,-0.1 0, 0.0 -0.593 44.7 171.5 -94.6 125.7 -3.0 23.6 4.6 80 83 A D >> + 0 0 88 -2,-0.5 4,-2.2 46,-0.2 3,-0.7 0.365 39.5 115.8 -94.0 -10.2 -3.4 24.7 8.1 81 84 A A H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.771 72.4 46.9 -64.7 -44.6 -2.6 21.6 10.2 82 85 A P H 3> S+ 0 0 9 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.901 116.4 47.9 -57.2 -40.8 0.5 22.4 12.3 83 86 A A H X4 S+ 0 0 64 -3,-0.7 3,-1.1 1,-0.2 4,-0.4 0.962 113.3 47.2 -66.0 -50.6 -1.1 25.7 13.4 84 87 A R H 3< S+ 0 0 120 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.802 115.9 44.2 -62.3 -26.4 -4.3 24.1 14.2 85 88 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 6,-0.2 0.500 88.2 91.2 -94.5 -1.3 -2.7 21.2 16.2 86 89 A E T << S+ 0 0 106 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.851 84.0 53.5 -65.2 -27.1 -0.3 23.5 18.0 87 90 A H T 3 S+ 0 0 122 -4,-0.4 2,-0.7 -3,-0.4 -1,-0.3 0.535 82.6 93.4 -91.6 -9.8 -2.7 23.9 20.8 88 91 A I X - 0 0 0 -3,-1.4 3,-1.1 1,-0.1 -3,-0.0 -0.808 67.5-156.4 -76.8 118.1 -3.2 20.1 21.5 89 92 A E T 3 S+ 0 0 105 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.761 82.2 64.5 -79.1 -26.8 -0.6 19.7 24.2 90 93 A E T 3 S+ 0 0 49 17,-0.1 18,-1.5 -3,-0.1 2,-0.7 0.623 79.3 96.8 -81.3 3.2 0.1 16.0 23.8 91 94 A V E < +D 107 0B 0 -3,-1.1 16,-0.2 -6,-0.2 3,-0.1 -0.767 49.1 174.6 -83.1 115.0 1.4 16.7 20.4 92 95 A E E + 0 0 16 14,-2.1 199,-2.1 -2,-0.7 2,-0.3 0.779 60.8 15.4 -90.7 -34.9 5.3 16.9 20.9 93 96 A S E -D 106 0B 1 13,-1.3 13,-1.7 196,-0.2 2,-0.4 -1.000 54.5-165.8-145.8 154.0 6.5 17.2 17.3 94 97 A C E +DE 105 288B 0 194,-2.0 193,-3.0 -2,-0.3 194,-1.0 -0.965 13.0 172.6-144.1 115.7 5.2 18.0 13.9 95 98 A Y E -DE 104 286B 13 9,-2.7 9,-2.4 -2,-0.4 2,-0.3 -0.933 26.5-137.5-119.3 144.4 7.0 17.4 10.6 96 99 A S E -DE 103 285B 18 189,-2.1 188,-2.7 -2,-0.4 189,-1.1 -0.805 33.4-167.4 -94.4 155.7 5.8 17.7 7.1 97 100 A V E - E 0 283B 10 5,-2.4 186,-0.2 -2,-0.3 2,-0.2 -0.824 20.1-116.1-143.9 155.7 7.0 14.8 5.0 98 101 A A S S+ 0 0 39 184,-2.4 2,-0.4 -2,-0.3 3,-0.3 -0.531 74.9 43.9 -86.0 170.1 7.3 13.7 1.4 99 102 A G S S- 0 0 75 1,-0.2 182,-0.0 -2,-0.2 -2,-0.0 -0.738 113.2 -24.6 99.2-136.4 5.5 10.7 0.0 100 103 A E S S+ 0 0 180 -2,-0.4 -1,-0.2 -29,-0.0 2,-0.1 0.911 119.2 54.9 -95.6 -34.5 1.9 9.8 0.6 101 104 A E - 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