==== 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 DNA-BINDING PROTEIN 18-SEP-07 2VBZ . COMPND 2 MOLECULE: 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) . 14693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 74.6 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.1 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 1 1 1 0 0 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 3 1 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 0 131 0, 0.0 2,-0.6 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 39.1 28.3 31.5 8.6 2 5 A L - 0 0 26 205,-0.1 5,-0.0 4,-0.0 0, 0.0 -0.832 360.0-161.9-108.0 97.7 29.6 29.3 11.6 3 6 A D > - 0 0 75 -2,-0.6 4,-1.7 1,-0.1 0, 0.0 0.102 39.7 -93.5 -66.1-178.4 33.4 29.6 12.6 4 7 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.807 123.1 59.6 -71.4 -28.7 35.2 26.9 14.7 5 8 A I H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.960 107.4 44.5 -60.5 -51.1 34.6 28.8 17.9 6 9 A D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.866 108.1 59.0 -62.7 -36.6 30.8 28.6 17.4 7 10 A R H X S+ 0 0 70 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.915 108.4 46.0 -54.3 -45.7 31.1 25.0 16.4 8 11 A I H X S+ 0 0 59 -4,-2.0 4,-1.9 -3,-0.2 -2,-0.2 0.903 111.7 51.0 -63.4 -46.8 32.7 24.3 19.9 9 12 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 113.4 43.0 -56.5 -47.6 30.1 26.3 21.8 10 13 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 191,-0.2 0.861 111.4 53.9 -74.3 -33.7 27.0 24.6 20.2 11 14 A R H X S+ 0 0 122 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.924 114.3 43.2 -64.6 -40.6 28.5 21.1 20.5 12 15 A E H X S+ 0 0 43 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.826 113.6 49.1 -63.9 -45.6 29.0 21.8 24.2 13 16 A L H < S+ 0 0 1 -4,-2.1 188,-1.9 2,-0.2 -2,-0.2 0.766 108.2 55.6 -70.3 -28.5 25.6 23.4 24.7 14 17 A A H < S+ 0 0 14 -4,-2.4 3,-0.3 186,-0.2 -2,-0.2 0.945 116.0 37.7 -64.7 -46.5 24.1 20.4 22.9 15 18 A A H < S+ 0 0 81 -4,-1.8 2,-0.5 1,-0.3 184,-0.4 0.931 136.9 16.9 -72.3 -44.2 25.8 18.2 25.5 16 19 A D >< + 0 0 69 -4,-3.7 3,-1.5 -5,-0.1 -1,-0.3 -0.855 59.9 179.7-133.8 107.9 25.3 20.5 28.4 17 20 A G T 3 S+ 0 0 0 182,-1.0 183,-0.2 -2,-0.5 -4,-0.1 0.440 90.3 52.3 -95.5 3.8 22.7 23.1 28.1 18 21 A R T 3 S+ 0 0 61 181,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.298 77.7 138.9-110.9 0.0 23.4 24.3 31.5 19 22 A A < - 0 0 5 -3,-1.5 2,-0.3 -7,-0.2 3,-0.0 -0.076 56.4-118.8 -25.1 133.0 27.2 24.6 30.7 20 23 A T > - 0 0 77 1,-0.1 4,-3.3 4,-0.0 5,-0.3 -0.742 7.9-118.7 -97.3 155.5 28.3 27.8 32.3 21 24 A L H > S+ 0 0 45 -2,-0.3 4,-3.3 1,-0.3 5,-0.2 0.885 117.7 51.0 -56.7 -38.2 29.7 30.8 30.6 22 25 A S H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.932 111.9 45.7 -61.9 -47.9 32.9 30.4 32.6 23 26 A E H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.861 114.9 48.8 -55.2 -44.9 33.2 26.6 31.7 24 27 A L H X S+ 0 0 1 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.948 110.3 52.2 -59.3 -52.8 32.5 27.5 28.1 25 28 A A H X>S+ 0 0 5 -4,-3.3 5,-1.9 -5,-0.3 4,-0.9 0.926 109.5 46.9 -50.7 -51.2 35.1 30.3 28.2 26 29 A T H <5S+ 0 0 112 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.914 113.5 52.0 -70.6 -28.4 37.8 28.2 29.5 27 30 A R H <5S+ 0 0 108 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.2 34.4 -65.7 -41.4 36.9 25.5 26.8 28 31 A A H <5S- 0 0 17 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.424 111.9-117.7 -85.4 4.2 37.0 27.8 23.7 29 32 A G T <5S+ 0 0 66 -4,-0.9 2,-0.2 -3,-0.4 -3,-0.2 0.939 73.9 121.4 51.6 52.5 39.9 29.8 25.3 30 33 A L < - 0 0 56 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.818 68.3 -91.5-130.6 173.9 37.9 33.1 25.4 31 34 A S > - 0 0 73 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.527 38.9-111.9 -80.4 158.4 36.8 35.6 28.1 32 35 A V H > S+ 0 0 65 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.900 122.3 52.6 -60.4 -32.4 33.5 35.1 29.7 33 36 A S H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.868 105.8 51.5 -69.0 -35.5 32.4 38.3 27.9 34 37 A A H > S+ 0 0 29 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.948 114.0 47.0 -58.0 -45.4 33.6 37.0 24.5 35 38 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.930 108.4 52.9 -69.1 -49.3 31.5 33.8 25.2 36 39 A Q H X S+ 0 0 75 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.898 112.4 44.0 -53.0 -40.9 28.4 35.6 26.4 37 40 A S H X S+ 0 0 71 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.945 112.1 51.1 -80.9 -44.8 28.2 37.7 23.3 38 41 A R H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 3,-0.4 0.906 110.2 53.2 -38.5 -57.2 29.0 34.8 20.9 39 42 A V H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.928 109.3 46.7 -56.9 -51.0 26.2 32.8 22.6 40 43 A R H X S+ 0 0 145 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.733 110.2 53.2 -60.5 -27.3 23.6 35.5 22.2 41 44 A R H >X S+ 0 0 93 -4,-1.4 4,-2.4 -3,-0.4 3,-0.5 0.955 109.6 47.4 -74.6 -47.1 24.5 36.0 18.6 42 45 A L H 3<>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 6,-1.3 0.866 114.1 51.4 -40.7 -47.7 24.0 32.2 18.0 43 46 A E H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.789 109.7 46.2 -67.7 -32.3 20.8 32.6 19.8 44 47 A S H <<5S+ 0 0 103 -4,-1.2 2,-0.2 -3,-0.5 -2,-0.2 0.770 107.1 55.9 -98.4 -33.1 19.5 35.5 17.8 45 48 A R T <5S- 0 0 85 -4,-2.4 3,-0.5 -5,-0.1 2,-0.2 -0.395 118.5-104.7 -60.2 168.7 20.3 34.1 14.3 46 49 A G T 5S+ 0 0 45 1,-0.2 158,-0.2 -2,-0.2 161,-0.2 -0.116 90.0 117.2-102.6 45.6 18.2 31.0 15.0 47 50 A V S - 0 0 39 139,-2.3 4,-0.8 -2,-0.2 6,-0.1 -0.663 22.3-153.6 -74.6 114.1 11.5 11.2 31.1 57 60 A P T >4>S+ 0 0 32 0, 0.0 5,-1.8 0, 0.0 3,-0.8 0.858 89.8 53.4 -70.0 -30.2 8.0 10.9 29.7 58 61 A E G >45S+ 0 0 126 1,-0.2 3,-2.5 3,-0.2 5,-0.1 0.948 101.7 59.1 -65.7 -50.3 7.1 7.7 31.7 59 62 A A G 345S+ 0 0 41 1,-0.3 -1,-0.2 135,-0.1 136,-0.1 0.676 107.4 47.2 -48.4 -25.2 8.0 9.3 35.0 60 63 A V G <<5S- 0 0 7 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.290 128.9 -91.3-104.9 12.4 5.4 12.1 34.4 61 64 A G T < 5S+ 0 0 30 -3,-2.5 2,-1.6 1,-0.1 -3,-0.2 0.326 86.4 125.9 104.0 -11.4 2.6 9.7 33.3 62 65 A H < + 0 0 17 -5,-1.8 48,-0.2 1,-0.2 -1,-0.1 -0.610 23.0 161.0 -75.8 75.7 3.0 9.5 29.5 63 66 A L + 0 0 122 -2,-1.6 2,-0.4 47,-0.4 47,-0.2 0.536 59.9 52.9 -73.3 -13.7 3.2 5.6 29.3 64 67 A L E +B 109 0B 40 45,-2.1 45,-2.7 -3,-0.1 2,-0.3 -0.987 59.9 176.9-132.2 128.4 2.2 5.5 25.6 65 68 A S E +B 108 0B 13 70,-0.5 70,-2.3 -2,-0.4 2,-0.3 -0.922 8.8 176.6-127.9 149.4 3.8 7.3 22.7 66 69 A A E -BC 107 134B 0 41,-2.1 41,-2.8 -2,-0.3 2,-0.5 -0.992 31.3-125.7-153.2 151.9 3.0 7.0 19.0 67 70 A F E -BC 106 133B 20 66,-3.7 66,-3.3 -2,-0.3 2,-0.5 -0.903 28.3-165.4 -92.5 130.1 3.7 8.3 15.6 68 71 A V E -BC 105 132B 0 37,-3.2 37,-3.4 -2,-0.5 2,-0.4 -0.986 4.9-159.8-118.4 121.1 0.6 9.5 13.9 69 72 A A E -BC 104 131B 6 62,-2.6 62,-2.8 -2,-0.5 2,-0.4 -0.828 17.0-163.8 -90.4 137.4 0.8 10.1 10.2 70 73 A I E -BC 103 130B 0 33,-3.1 32,-2.3 -2,-0.4 33,-2.2 -0.946 13.9-173.3-129.8 144.4 -2.1 12.4 9.0 71 74 A T E - C 0 129B 20 58,-2.3 58,-3.2 -2,-0.4 30,-0.1 -0.998 34.9 -98.5-136.9 133.8 -3.5 13.2 5.6 72 75 A P E - C 0 128B 13 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.200 18.5-140.7 -44.5 127.2 -6.3 15.9 4.6 73 76 A L S S+ 0 0 92 54,-2.5 55,-0.2 1,-0.3 54,-0.1 0.746 102.0 5.3 -72.4 -25.9 -9.8 14.6 4.2 74 77 A D S S- 0 0 69 53,-0.5 3,-0.5 3,-0.1 -1,-0.3 -0.748 73.2-155.0-159.6 126.0 -9.7 16.8 1.5 75 78 A P + 0 0 92 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.150 61.7 104.2 -78.4 14.0 -6.6 18.8 0.4 76 79 A S + 0 0 97 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.884 68.1 59.8 -70.8 -48.4 -8.0 21.9 -1.4 77 80 A Q S S- 0 0 83 -3,-0.5 3,-0.1 1,-0.1 -3,-0.1 -0.597 104.5 -96.3 -67.9 144.2 -7.6 24.8 1.1 78 81 A P - 0 0 123 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.086 65.8 -69.9 -45.2 168.7 -3.9 25.4 2.0 79 82 A D + 0 0 47 1,-0.2 4,-0.3 -3,-0.1 47,-0.0 -0.611 46.9 170.7 -95.2 112.5 -3.1 23.5 5.1 80 83 A D > + 0 0 71 -2,-0.8 4,-2.6 46,-0.1 5,-0.3 0.647 54.6 104.6 -66.7 -22.7 -4.3 24.5 8.5 81 84 A A H > S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.782 80.4 38.9 -54.7 -54.8 -3.1 21.3 10.1 82 85 A P H >> S+ 0 0 7 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.955 119.5 48.9 -56.6 -51.4 0.0 22.3 12.0 83 86 A A H >4 S+ 0 0 64 -4,-0.3 3,-1.4 1,-0.2 4,-0.4 0.957 113.8 44.9 -46.5 -60.3 -1.6 25.6 13.1 84 87 A R H 3< S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.2 0.490 113.0 49.8 -70.6 -8.9 -4.8 24.1 14.3 85 88 A L H X< S+ 0 0 0 -4,-1.0 3,-1.6 -3,-1.0 -1,-0.3 0.396 85.3 91.1-105.3 -2.6 -3.1 21.2 16.2 86 89 A E T << S+ 0 0 107 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.833 82.1 55.6 -60.0 -27.6 -0.7 23.5 18.0 87 90 A H T 3 S+ 0 0 126 -4,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.434 82.6 93.3 -93.8 5.2 -3.1 23.9 20.9 88 91 A I X - 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