==== 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 2W25 . COMPND 2 MOLECULE: PROBABLE 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) . 14937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 73.1 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 . 72 24.5 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.9 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 1 1 0 0 2 0 1 0 1 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 3 1 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 0 117 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.5 29.1 31.8 9.6 2 5 A L - 0 0 51 206,-0.0 5,-0.0 4,-0.0 0, 0.0 -0.628 360.0-175.8-148.5 87.1 30.1 28.9 11.9 3 6 A D > - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.010 44.3 -90.3 -77.4-178.6 33.8 28.9 13.0 4 7 A D H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.728 126.1 52.1 -66.7 -26.3 35.7 26.4 15.1 5 8 A I H > S+ 0 0 44 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.925 109.7 48.7 -74.7 -48.3 34.9 28.3 18.3 6 9 A D H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.888 109.8 52.2 -56.5 -44.5 31.2 28.2 17.5 7 10 A R H X S+ 0 0 73 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.935 109.2 50.4 -58.2 -47.5 31.3 24.5 16.7 8 11 A I H X S+ 0 0 59 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 47.7 -52.7 -47.0 33.0 23.9 20.1 9 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 111.4 47.6 -67.1 -45.5 30.3 25.9 21.9 10 13 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.921 111.8 53.0 -63.4 -41.3 27.3 24.2 20.2 11 14 A R H X S+ 0 0 84 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.961 111.3 44.8 -50.6 -59.4 28.9 20.8 20.9 12 15 A E H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.860 114.9 48.3 -58.0 -38.2 29.3 21.5 24.6 13 16 A L H < S+ 0 0 1 -4,-2.3 188,-1.8 -5,-0.2 -1,-0.2 0.871 108.8 52.6 -74.8 -32.0 25.8 22.9 24.9 14 17 A A H < S+ 0 0 16 -4,-2.5 3,-0.3 186,-0.2 -2,-0.2 0.955 117.2 40.3 -61.7 -49.1 24.2 20.0 23.0 15 18 A A H < S+ 0 0 85 -4,-2.3 184,-0.3 1,-0.3 2,-0.2 0.778 136.8 13.5 -68.5 -37.1 25.9 17.6 25.5 16 19 A D >< - 0 0 63 -4,-2.5 3,-1.5 -5,-0.2 184,-0.3 -0.714 60.2-178.2-146.5 99.9 25.3 19.9 28.6 17 20 A G T 3 S+ 0 0 1 182,-1.6 183,-0.2 -3,-0.3 -4,-0.1 0.493 84.9 54.8 -76.1 -8.5 22.9 22.7 28.3 18 21 A R T 3 S+ 0 0 60 181,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.091 74.6 138.7-102.5 14.8 23.4 24.0 31.9 19 22 A A < - 0 0 3 -3,-1.5 2,-0.1 -7,-0.2 -3,-0.0 -0.402 55.9-120.5 -59.5 130.8 27.2 24.3 31.3 20 23 A T > - 0 0 82 1,-0.1 4,-2.4 -2,-0.1 3,-0.4 -0.436 15.8-114.1 -77.2 155.0 28.3 27.5 33.0 21 24 A L H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.839 116.2 56.0 -52.9 -36.3 29.9 30.3 31.0 22 25 A S H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 108.1 46.8 -66.0 -40.6 33.2 29.8 32.9 23 26 A E H > S+ 0 0 99 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.939 114.2 48.2 -64.4 -47.1 33.3 26.1 32.0 24 27 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.893 108.4 56.0 -55.0 -47.2 32.6 27.0 28.4 25 28 A A H X>S+ 0 0 6 -4,-2.9 5,-2.4 1,-0.2 4,-0.9 0.882 108.3 44.9 -55.1 -46.4 35.3 29.7 28.4 26 29 A T H <5S+ 0 0 110 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.858 113.8 50.7 -73.1 -32.8 38.1 27.5 29.5 27 30 A R H <5S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 117.3 40.0 -67.6 -36.5 37.0 24.8 27.0 28 31 A A H <5S- 0 0 13 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.519 108.8-119.9 -87.3 -4.1 36.9 27.4 24.2 29 32 A G T <5S+ 0 0 70 -4,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.863 75.5 113.8 67.0 36.8 40.1 29.3 25.2 30 33 A L S - 0 0 73 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.484 38.3-111.9 -79.5 162.6 37.0 35.0 28.3 32 35 A V H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 119.5 54.0 -63.3 -36.0 33.6 34.6 30.0 33 36 A S H > S+ 0 0 91 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.878 109.1 45.6 -64.3 -45.2 32.5 37.8 28.3 34 37 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.1 -2,-0.2 0.914 114.2 51.4 -62.6 -46.6 33.5 36.6 24.8 35 38 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.961 109.7 47.8 -49.9 -58.3 31.7 33.3 25.6 36 39 A Q H X S+ 0 0 76 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.822 113.3 49.9 -57.1 -33.0 28.5 34.9 26.7 37 40 A S H X S+ 0 0 72 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.914 110.0 47.6 -72.4 -49.7 28.6 37.1 23.6 38 41 A R H X S+ 0 0 43 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.905 112.7 51.4 -52.4 -47.1 29.2 34.2 21.1 39 42 A V H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 106.8 52.2 -65.1 -43.7 26.3 32.3 22.9 40 43 A R H X S+ 0 0 155 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.866 110.0 49.8 -55.1 -41.9 23.9 35.2 22.5 41 44 A R H X S+ 0 0 94 -4,-1.7 4,-3.0 2,-0.2 6,-0.3 0.907 107.8 52.8 -66.1 -42.9 24.7 35.4 18.8 42 45 A L H <>S+ 0 0 0 -4,-2.3 6,-1.5 1,-0.2 5,-0.9 0.937 113.6 46.0 -55.0 -46.6 24.1 31.6 18.4 43 46 A E H <5S+ 0 0 85 -4,-2.5 -1,-0.2 4,-0.2 -2,-0.2 0.830 113.5 46.5 -63.1 -36.4 20.8 32.2 20.1 44 47 A S H <5S+ 0 0 99 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.898 110.7 55.6 -82.1 -39.7 19.9 35.3 18.0 45 48 A R T <5S- 0 0 88 -4,-3.0 3,-0.2 -5,-0.1 -3,-0.0 0.031 115.4 -94.1 -61.7-170.5 20.8 33.7 14.7 46 49 A G T 5S+ 0 0 51 1,-0.1 158,-0.3 158,-0.0 161,-0.2 0.390 99.0 97.8 -93.5 13.8 18.9 30.5 14.3 47 50 A V S - 0 0 42 139,-3.0 4,-1.0 -2,-0.3 3,-0.3 -0.684 21.9-153.1 -77.3 119.1 11.5 10.8 31.2 57 60 A P T >4>S+ 0 0 32 0, 0.0 5,-2.3 0, 0.0 3,-0.7 0.935 92.7 51.9 -69.5 -38.6 8.1 10.5 29.6 58 61 A E G >45S+ 0 0 122 1,-0.2 3,-1.1 3,-0.2 5,-0.1 0.813 103.0 59.4 -60.4 -32.3 7.1 7.5 31.6 59 62 A A G 345S+ 0 0 34 -3,-0.3 -1,-0.2 1,-0.2 136,-0.1 0.767 106.9 46.3 -68.3 -30.4 7.9 9.2 34.9 60 63 A V G <<5S- 0 0 4 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.230 130.9 -92.1 -95.2 11.8 5.4 12.0 34.3 61 64 A G T < 5S+ 0 0 29 -3,-1.1 2,-1.3 1,-0.2 -3,-0.2 0.612 83.3 131.5 95.1 13.9 2.7 9.5 33.2 62 65 A H < + 0 0 14 -5,-2.3 48,-0.2 1,-0.2 -1,-0.2 -0.738 18.6 159.4-100.5 84.3 3.1 9.2 29.5 63 66 A L + 0 0 118 -2,-1.3 2,-0.4 47,-0.3 47,-0.2 0.599 57.6 54.8 -83.0 -13.6 3.1 5.5 29.2 64 67 A L E -B 109 0B 36 45,-2.6 45,-2.2 -3,-0.2 2,-0.3 -0.979 60.5-178.1-127.6 119.9 2.1 5.3 25.5 65 68 A S E +BC 108 135B 12 70,-0.5 70,-2.3 -2,-0.4 2,-0.3 -0.893 8.6 176.7-107.6 150.1 3.9 7.0 22.6 66 69 A A E -BC 107 134B 0 41,-2.2 41,-2.6 -2,-0.3 2,-0.5 -0.999 30.4-131.5-148.4 147.3 3.0 6.9 18.9 67 70 A F E -BC 106 133B 17 66,-3.1 66,-2.7 -2,-0.3 2,-0.5 -0.858 26.8-165.0 -85.0 135.3 3.8 8.2 15.5 68 71 A V E -BC 105 132B 0 37,-2.8 37,-2.2 -2,-0.5 2,-0.4 -0.959 5.6-160.8-124.2 113.0 0.8 9.6 13.7 69 72 A A E -BC 104 131B 25 62,-2.8 62,-2.0 -2,-0.5 2,-0.4 -0.742 17.6-162.7 -85.1 134.4 1.0 10.1 9.9 70 73 A I E -BC 103 130B 0 33,-2.8 32,-3.0 -2,-0.4 33,-1.7 -0.962 14.4-169.3-130.3 139.8 -1.8 12.5 8.8 71 74 A T E - C 0 129B 29 58,-2.3 58,-2.9 -2,-0.4 30,-0.1 -0.996 29.4-114.3-128.8 127.0 -3.3 13.3 5.4 72 75 A P E - C 0 128B 12 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.363 10.5-141.5 -59.6 136.0 -5.7 16.2 4.7 73 76 A L S S+ 0 0 92 54,-2.9 55,-0.1 1,-0.3 54,-0.1 0.838 102.0 27.1 -65.4 -31.2 -9.2 15.3 3.7 74 77 A D > + 0 0 64 53,-0.5 3,-0.9 1,-0.1 -1,-0.3 -0.805 68.4 177.5-132.2 94.7 -9.0 18.2 1.2 75 78 A P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.614 70.9 75.5 -78.0 -9.3 -5.5 19.0 0.1 76 79 A S T 3 S+ 0 0 100 2,-0.1 3,-0.1 -4,-0.0 -2,-0.0 0.833 79.6 86.0 -65.0 -36.7 -6.4 21.8 -2.3 77 80 A Q S < S- 0 0 107 -3,-0.9 2,-0.1 1,-0.1 3,-0.1 -0.379 102.0 -98.6 -57.9 136.9 -7.0 24.1 0.7 78 81 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.452 56.6 -96.6 -67.9 145.6 -3.9 25.8 1.8 79 82 A D + 0 0 75 -4,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.466 46.2 170.0 -86.7 128.7 -2.8 23.7 4.7 80 83 A D >> + 0 0 92 -2,-0.3 4,-1.9 46,-0.2 3,-0.7 0.528 42.1 111.8 -95.5 -16.5 -3.5 24.6 8.2 81 84 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.690 72.0 46.8 -60.8 -45.2 -2.5 21.6 10.1 82 85 A P H 3> S+ 0 0 11 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.920 116.6 46.0 -58.1 -45.4 0.6 22.4 12.3 83 86 A A H <4 S+ 0 0 67 -3,-0.7 3,-0.4 1,-0.2 4,-0.4 0.904 113.8 48.8 -63.6 -43.5 -0.9 25.7 13.6 84 87 A R H >< S+ 0 0 121 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.885 115.0 43.4 -64.5 -35.4 -4.2 24.0 14.3 85 88 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 6,-0.2 0.526 90.3 89.3 -89.2 -7.4 -2.6 21.1 16.2 86 89 A E T 3< S+ 0 0 108 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.836 83.9 54.8 -57.9 -29.4 -0.3 23.4 18.0 87 90 A H T < S+ 0 0 124 -3,-0.7 2,-0.7 -4,-0.4 -1,-0.3 0.546 83.9 92.2 -86.1 -9.2 -2.9 23.8 20.7 88 91 A I X - 0 0 0 -3,-1.3 3,-1.3 1,-0.2 -3,-0.0 -0.780 66.5-157.6 -80.6 115.6 -3.2 20.0 21.4 89 92 A E T 3 S+ 0 0 110 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.770 83.0 65.0 -76.1 -23.3 -0.7 19.6 24.2 90 93 A E T 3 S+ 0 0 48 17,-0.1 18,-1.7 -3,-0.1 2,-0.9 0.641 78.7 95.6 -78.9 -3.6 -0.1 15.9 23.7 91 94 A V E < +D 107 0B 0 -3,-1.3 16,-0.2 -6,-0.2 3,-0.1 -0.736 49.1 174.4 -79.0 110.3 1.4 16.6 20.3 92 95 A E E + 0 0 16 14,-2.2 199,-2.5 -2,-0.9 2,-0.3 0.851 62.0 14.1 -84.9 -35.6 5.2 16.8 20.9 93 96 A S E -D 106 0B 1 13,-1.5 13,-1.5 196,-0.2 2,-0.4 -0.981 55.7-167.2-145.1 152.4 6.5 17.1 17.4 94 97 A C E +DE 105 288B 0 194,-2.3 193,-2.8 -2,-0.3 194,-1.2 -0.977 12.7 173.4-146.3 121.4 5.1 17.9 13.9 95 98 A Y E -DE 104 286B 13 9,-2.2 9,-2.3 -2,-0.4 2,-0.3 -0.982 26.5-134.4-128.0 140.4 7.0 17.4 10.7 96 99 A S E -DE 103 285B 17 189,-2.3 188,-2.4 -2,-0.4 189,-1.2 -0.702 34.1-172.6 -92.6 156.2 5.9 17.7 7.1 97 100 A V E - E 0 283B 9 5,-2.2 2,-0.2 -2,-0.3 186,-0.2 -0.901 23.8-118.0-149.8 154.0 7.0 14.9 5.0 98 101 A A S S+ 0 0 45 184,-2.4 2,-0.4 -2,-0.3 3,-0.2 -0.669 74.4 47.6 -96.5 162.8 7.1 13.6 1.5 99 102 A G S S- 0 0 71 -2,-0.2 -2,-0.1 1,-0.2 182,-0.0 -0.855 113.7 -25.7 108.7-139.7 5.3 10.4 0.3 100 103 A E S S+ 0 0 196 -2,-0.4 -1,-0.2 -29,-0.0 2,-0.0 0.965 122.4 55.4 -85.0 -42.9 1.7 9.5 1.0 101 104 A A - 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