==== 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 2VC1 . 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) . 14962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.6 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 . 69 23.4 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.2 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 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 4 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 . 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 0 137 0, 0.0 2,-0.3 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 63.0 29.1 31.4 8.4 2 5 A L - 0 0 33 208,-0.0 5,-0.1 4,-0.0 0, 0.0 -0.786 360.0-155.3-144.7 93.1 30.0 29.3 11.6 3 6 A D > - 0 0 71 -2,-0.3 4,-1.6 1,-0.1 0, 0.0 0.106 34.2 -95.1 -72.9-178.4 33.7 29.5 12.8 4 7 A D H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.817 123.3 54.4 -64.2 -32.9 35.5 26.9 14.8 5 8 A I H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 106.4 51.6 -69.0 -41.5 34.8 28.6 18.1 6 9 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 106.4 55.6 -63.6 -34.9 31.1 28.5 17.4 7 10 A R H X S+ 0 0 73 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.940 106.8 48.9 -62.7 -43.9 31.4 24.8 16.7 8 11 A I H X S+ 0 0 62 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.910 110.9 51.8 -63.8 -37.4 32.9 24.1 20.1 9 12 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.958 112.1 42.2 -63.4 -50.1 30.2 26.1 21.8 10 13 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 193,-0.2 0.856 113.7 53.5 -69.9 -35.3 27.2 24.4 20.2 11 14 A R H X S+ 0 0 121 -4,-2.4 4,-1.9 -5,-0.2 3,-0.2 0.958 114.1 42.9 -57.7 -51.0 28.8 21.0 20.6 12 15 A E H X S+ 0 0 48 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.877 113.7 50.2 -63.7 -39.8 29.2 21.8 24.3 13 16 A L H < S+ 0 0 1 -4,-2.8 190,-0.9 2,-0.2 -1,-0.2 0.786 107.5 53.7 -75.0 -22.5 25.9 23.2 24.7 14 17 A A H < S+ 0 0 17 -4,-2.1 3,-0.3 -3,-0.2 -2,-0.2 0.962 115.9 40.9 -64.7 -48.9 24.2 20.1 23.0 15 18 A A H < S+ 0 0 82 -4,-1.9 186,-0.3 1,-0.3 2,-0.3 0.862 136.0 14.9 -69.3 -39.0 26.0 17.9 25.5 16 19 A D >< + 0 0 70 -4,-2.9 3,-1.0 -5,-0.2 -1,-0.3 -0.727 58.2 174.2-146.5 104.5 25.3 20.2 28.3 17 20 A G T 3 S+ 0 0 1 184,-1.8 185,-0.2 -2,-0.3 -1,-0.1 0.574 83.1 54.4 -88.1 -11.3 22.8 23.1 28.2 18 21 A R T 3 S+ 0 0 58 183,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.284 81.6 129.6 -95.6 0.2 23.1 24.2 31.9 19 22 A A < - 0 0 9 -3,-1.0 2,-0.2 -7,-0.1 -3,-0.0 -0.221 57.8-115.7 -62.6 151.9 26.8 24.6 31.4 20 23 A T > - 0 0 74 1,-0.1 4,-2.8 4,-0.0 3,-0.4 -0.590 11.8-115.4-106.1 157.4 28.2 27.9 32.5 21 24 A L H > S+ 0 0 47 1,-0.3 4,-3.5 -2,-0.2 5,-0.2 0.868 115.1 51.3 -51.0 -46.1 29.8 30.7 30.8 22 25 A S H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.911 110.6 47.6 -59.3 -45.9 33.1 30.1 32.6 23 26 A E H > S+ 0 0 98 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.927 115.6 46.5 -53.4 -50.6 33.3 26.4 31.8 24 27 A L H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.955 111.6 51.6 -55.6 -58.4 32.5 27.3 28.2 25 28 A A H X>S+ 0 0 2 -4,-3.5 5,-2.5 2,-0.2 4,-0.9 0.870 110.1 47.5 -41.3 -51.3 35.1 30.1 28.2 26 29 A T H <5S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.863 113.8 49.3 -74.6 -25.7 37.9 27.9 29.5 27 30 A R H <5S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 116.6 39.7 -71.2 -40.4 37.0 25.2 26.9 28 31 A A H <5S- 0 0 13 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.452 111.5-117.0 -86.0 -0.0 36.9 27.6 23.9 29 32 A G T <5S+ 0 0 70 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.862 74.2 119.0 64.3 40.1 40.0 29.6 25.1 30 33 A L < - 0 0 49 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.865 69.8 -92.3-128.9 166.0 38.0 32.9 25.5 31 34 A S >> - 0 0 77 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.407 41.3-113.0 -67.1 152.4 36.9 35.5 28.1 32 35 A V H 3> S+ 0 0 68 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.854 119.1 53.6 -59.0 -28.5 33.6 34.9 29.8 33 36 A S H 3> S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.850 104.3 49.0 -73.8 -39.8 32.4 38.0 27.9 34 37 A A H <> S+ 0 0 31 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.888 113.3 53.1 -68.5 -32.6 33.4 36.9 24.4 35 38 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.959 108.9 46.7 -64.1 -50.1 31.6 33.7 25.3 36 39 A Q H X S+ 0 0 74 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.914 113.6 47.7 -55.5 -42.5 28.4 35.5 26.4 37 40 A S H X S+ 0 0 76 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.930 112.5 46.9 -74.7 -44.8 28.4 37.6 23.4 38 41 A R H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.884 111.6 53.5 -52.6 -49.5 29.0 34.7 20.9 39 42 A V H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.939 108.2 49.7 -58.2 -45.0 26.3 32.6 22.7 40 43 A R H X S+ 0 0 155 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.807 109.1 52.4 -62.6 -27.5 23.9 35.6 22.2 41 44 A R H X S+ 0 0 108 -4,-1.2 4,-2.3 2,-0.2 3,-0.5 0.965 107.8 51.2 -70.3 -51.4 24.8 35.7 18.5 42 45 A L H <>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 6,-1.1 0.904 112.9 47.1 -39.4 -54.6 24.0 31.9 18.2 43 46 A E H <5S+ 0 0 82 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.810 110.5 48.9 -67.9 -29.4 20.7 32.5 19.7 44 47 A S H <5S+ 0 0 103 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.823 110.7 51.1 -91.9 -27.8 19.6 35.5 17.7 45 48 A R T <5S- 0 0 90 -4,-2.3 3,-0.3 -5,-0.1 0, 0.0 -0.182 119.6 -94.1 -71.2-169.5 20.5 34.0 14.3 46 49 A G T 5S+ 0 0 48 1,-0.2 160,-0.2 -2,-0.1 163,-0.2 0.258 94.5 106.7-105.1 29.3 18.7 30.8 14.5 47 50 A V S - 0 0 41 141,-2.2 4,-1.2 -2,-0.4 5,-0.1 -0.670 20.6-159.5 -73.8 115.2 11.3 11.1 31.2 57 60 A P T >4>S+ 0 0 29 0, 0.0 5,-2.3 0, 0.0 3,-0.6 0.901 91.1 55.9 -67.9 -38.5 7.9 10.9 29.7 58 61 A E G >45S+ 0 0 123 1,-0.2 3,-2.0 3,-0.2 5,-0.1 0.929 104.0 54.4 -51.7 -53.3 7.3 7.6 31.5 59 62 A A G 345S+ 0 0 39 1,-0.3 -1,-0.2 137,-0.2 138,-0.1 0.737 108.6 46.7 -61.7 -27.3 8.0 9.3 34.9 60 63 A V G <<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.204 128.6 -92.9-100.0 15.8 5.4 12.1 34.4 61 64 A G T < 5S+ 0 0 31 -3,-2.0 2,-1.1 1,-0.2 -3,-0.2 0.553 84.6 128.3 93.3 6.0 2.8 9.6 33.3 62 65 A H < + 0 0 18 -5,-2.3 48,-0.2 1,-0.2 -1,-0.2 -0.795 22.0 160.1 -84.9 83.7 3.0 9.4 29.4 63 66 A L + 0 0 116 -2,-1.1 2,-0.4 47,-0.4 47,-0.2 0.611 58.3 56.0 -86.0 -13.1 3.2 5.6 29.2 64 67 A L E +B 109 0B 36 45,-2.1 45,-2.7 -3,-0.1 2,-0.3 -0.985 62.4 177.8-121.5 132.0 2.1 5.4 25.5 65 68 A S E +B 108 0B 14 70,-0.5 70,-3.0 -2,-0.4 2,-0.3 -0.951 7.6 178.4-128.2 145.8 3.8 7.2 22.7 66 69 A A E -BC 107 134B 0 41,-2.7 41,-2.6 -2,-0.3 2,-0.5 -0.989 31.1-127.8-151.5 158.2 3.0 7.1 19.0 67 70 A F E -BC 106 133B 17 66,-3.4 66,-2.9 -2,-0.3 2,-0.5 -0.894 27.8-168.7 -97.6 129.4 3.7 8.3 15.5 68 71 A V E -BC 105 132B 0 37,-3.0 37,-3.1 -2,-0.5 2,-0.5 -0.968 6.4-161.8-125.0 113.1 0.7 9.5 13.8 69 72 A A E -BC 104 131B 6 62,-2.5 62,-2.0 -2,-0.5 2,-0.4 -0.853 16.2-163.9 -88.2 128.6 0.9 10.2 10.1 70 73 A I E -BC 103 130B 0 33,-3.1 33,-2.1 -2,-0.5 32,-1.8 -0.889 13.1-173.2-124.1 138.3 -2.0 12.4 9.0 71 74 A T E - C 0 129B 19 58,-1.8 58,-3.4 -2,-0.4 30,-0.1 -0.995 34.8 -99.4-131.6 132.1 -3.4 13.2 5.6 72 75 A P E - C 0 128B 20 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.115 15.0-145.4 -46.5 128.0 -6.1 15.9 4.6 73 76 A L S S+ 0 0 93 54,-2.8 55,-0.2 1,-0.3 54,-0.1 0.912 102.2 23.8 -65.5 -41.1 -9.7 14.8 4.1 74 77 A D S > S- 0 0 63 53,-0.5 3,-1.7 1,-0.1 -1,-0.3 -0.900 77.0-159.8-128.1 103.3 -10.1 17.4 1.5 75 78 A P T 3 S+ 0 0 118 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.329 84.3 69.0 -61.7 -0.2 -6.5 18.3 0.1 76 79 A S T 3 + 0 0 91 2,-0.1 3,-0.0 3,-0.0 -3,-0.0 0.320 68.1 99.8-104.8 3.4 -7.9 21.6 -1.3 77 80 A Q S < S- 0 0 99 -3,-1.7 2,-0.2 1,-0.1 0, 0.0 -0.546 96.6 -99.3 -67.9 157.5 -8.4 23.4 2.1 78 81 A P - 0 0 113 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.577 54.7 -84.8 -81.9 160.6 -5.4 25.5 2.3 79 82 A D + 0 0 90 1,-0.2 4,-0.1 -2,-0.2 -3,-0.0 -0.530 69.2 142.8 -86.7 121.7 -3.0 23.7 4.5 80 83 A D >> + 0 0 66 -2,-0.7 4,-2.3 46,-0.2 3,-0.7 0.403 28.1 109.7-126.5 -18.2 -3.5 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 0.814 79.6 50.9 -60.6 -45.4 -2.9 21.3 10.1 82 85 A P H 3> S+ 0 0 7 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.929 114.4 47.0 -54.3 -42.5 0.2 22.2 11.9 83 86 A A H X4 S+ 0 0 60 -3,-0.7 3,-1.0 1,-0.2 4,-0.2 0.964 115.2 44.5 -63.0 -52.7 -1.4 25.6 13.0 84 87 A R H 3< S+ 0 0 115 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.700 113.3 49.6 -67.7 -20.7 -4.6 24.0 14.1 85 88 A L H >< S+ 0 0 0 -4,-1.7 3,-2.2 -5,-0.3 6,-0.2 0.556 85.7 92.3 -92.0 -5.1 -2.9 21.1 16.0 86 89 A E T << S+ 0 0 110 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.687 81.1 54.9 -65.3 -17.8 -0.6 23.4 17.8 87 90 A H T 3 S+ 0 0 123 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.3 0.210 77.4 99.8-107.0 9.5 -2.9 23.7 20.7 88 91 A I X - 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