==== 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 2VC0 . 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) . 14952.0 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 . 70 23.7 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 . 26 8.8 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 . 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 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 0 122 0, 0.0 2,-0.7 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 56.4 28.7 31.3 9.1 2 5 A L - 0 0 29 207,-0.1 2,-0.1 4,-0.0 0, 0.0 -0.902 360.0-168.4-102.2 103.8 29.9 28.9 11.9 3 6 A D > - 0 0 71 -2,-0.7 4,-1.8 1,-0.1 3,-0.1 -0.253 41.7 -90.6 -77.4 174.9 33.6 29.4 12.7 4 7 A D H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.780 124.5 54.5 -62.4 -38.0 35.4 26.8 14.9 5 8 A I H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.949 107.9 50.9 -60.8 -51.6 34.7 28.6 18.2 6 9 A D H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.883 107.5 54.5 -53.9 -43.4 31.0 28.5 17.5 7 10 A R H X S+ 0 0 71 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.919 108.0 47.6 -57.0 -49.2 31.2 24.8 16.7 8 11 A I H X S+ 0 0 56 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.947 113.2 50.6 -55.9 -45.7 32.8 24.1 20.1 9 12 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.955 112.7 42.0 -56.9 -52.0 30.1 26.2 21.8 10 13 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.851 115.1 52.6 -69.8 -33.5 27.1 24.5 20.2 11 14 A R H X S+ 0 0 110 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.953 111.6 44.6 -64.6 -51.3 28.6 21.2 20.6 12 15 A E H X S+ 0 0 50 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.856 114.9 49.7 -53.7 -41.3 29.2 21.8 24.4 13 16 A L H < S+ 0 0 1 -4,-2.7 190,-1.4 -5,-0.3 -1,-0.2 0.773 106.3 54.6 -76.8 -22.9 25.7 23.2 24.8 14 17 A A H < S+ 0 0 15 -4,-1.7 3,-0.3 188,-0.2 -2,-0.2 0.929 116.4 39.6 -66.2 -45.3 24.1 20.2 23.0 15 18 A A H < S+ 0 0 83 -4,-2.1 186,-0.4 1,-0.3 2,-0.4 0.914 136.5 16.0 -74.0 -39.8 25.9 17.9 25.5 16 19 A D >< - 0 0 64 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.3 -0.816 59.2-175.9-140.9 103.1 25.3 20.2 28.4 17 20 A G T 3 S+ 0 0 0 184,-1.3 185,-0.2 -2,-0.4 -4,-0.1 0.465 89.3 53.5 -80.0 -1.8 22.7 23.0 28.1 18 21 A R T 3 S+ 0 0 62 183,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.228 70.9 140.2-117.5 7.5 23.6 24.2 31.5 19 22 A A < - 0 0 2 -3,-1.8 2,-0.3 -7,-0.2 3,-0.0 -0.195 54.6-125.9 -28.6 127.0 27.4 24.6 30.9 20 23 A T > - 0 0 80 1,-0.1 4,-2.4 4,-0.0 3,-0.2 -0.683 16.5-107.7 -86.7 159.2 28.1 27.8 32.7 21 24 A L H > S+ 0 0 47 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.906 119.1 53.1 -46.2 -52.9 29.9 30.7 30.9 22 25 A S H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 109.9 49.1 -52.6 -45.7 33.2 30.1 32.8 23 26 A E H > S+ 0 0 97 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.895 114.1 45.4 -56.7 -46.3 33.2 26.4 31.8 24 27 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.954 112.3 51.6 -63.5 -51.0 32.6 27.4 28.1 25 28 A A H X>S+ 0 0 3 -4,-3.0 5,-2.6 1,-0.2 4,-1.0 0.898 110.8 46.7 -47.5 -49.4 35.2 30.2 28.2 26 29 A T H <5S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.841 113.8 50.0 -78.4 -21.9 37.9 27.9 29.5 27 30 A R H <5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.859 117.7 37.6 -69.6 -42.3 36.9 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 0.432 111.5-116.0 -87.1 0.0 37.0 27.6 23.9 29 32 A G T <5S+ 0 0 66 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.922 74.5 120.0 63.2 46.6 40.0 29.6 25.2 30 33 A L < - 0 0 54 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.872 68.8 -92.9-131.7 173.0 38.0 32.9 25.5 31 34 A S > - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.483 38.9-114.7 -75.4 157.6 37.0 35.4 28.1 32 35 A V H > S+ 0 0 66 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.871 117.9 53.1 -63.5 -34.3 33.6 34.9 29.8 33 36 A S H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.810 106.5 51.1 -66.3 -35.1 32.4 38.1 28.1 34 37 A A H > S+ 0 0 32 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.921 110.6 50.1 -69.1 -41.3 33.4 36.9 24.6 35 38 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.910 109.1 51.2 -60.4 -45.1 31.5 33.6 25.3 36 39 A Q H X S+ 0 0 83 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.909 112.2 46.7 -58.8 -42.4 28.4 35.5 26.4 37 40 A S H X S+ 0 0 76 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.914 112.1 47.8 -69.4 -48.1 28.5 37.5 23.3 38 41 A R H X S+ 0 0 43 -4,-2.5 4,-2.3 2,-0.2 3,-0.2 0.915 113.3 50.6 -54.9 -50.0 29.0 34.6 20.8 39 42 A V H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.947 107.6 52.1 -57.5 -52.0 26.2 32.7 22.6 40 43 A R H X S+ 0 0 163 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.842 109.8 50.0 -50.0 -35.9 23.8 35.6 22.3 41 44 A R H X S+ 0 0 81 -4,-1.4 4,-2.7 -3,-0.2 3,-0.4 0.952 107.5 53.1 -73.8 -46.7 24.6 35.8 18.6 42 45 A L H <>S+ 0 0 0 -4,-2.3 6,-1.8 1,-0.2 5,-1.0 0.842 111.0 49.0 -45.2 -44.9 23.9 32.0 18.2 43 46 A E H <5S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.858 111.5 46.8 -69.0 -31.2 20.6 32.6 19.8 44 47 A S H <5S+ 0 0 101 -4,-1.3 -2,-0.2 -3,-0.4 2,-0.2 0.798 109.5 54.1 -93.8 -28.2 19.5 35.6 17.7 45 48 A R T <5S- 0 0 92 -4,-2.7 3,-0.3 -5,-0.1 0, 0.0 -0.331 116.9-104.5 -71.6 175.8 20.5 34.0 14.3 46 49 A G T 5S+ 0 0 50 1,-0.2 160,-0.3 -2,-0.2 163,-0.2 0.132 90.7 113.5-102.6 37.2 18.5 30.9 14.8 47 50 A V S - 0 0 42 141,-2.8 4,-1.1 -2,-0.3 6,-0.1 -0.691 21.7-153.9 -76.6 116.5 11.5 11.0 31.2 57 60 A P T 4>S+ 0 0 35 0, 0.0 5,-1.9 0, 0.0 3,-0.3 0.869 90.6 56.5 -69.0 -34.9 8.0 10.7 29.7 58 61 A E T >45S+ 0 0 123 1,-0.2 3,-1.6 3,-0.2 5,-0.1 0.914 101.2 56.5 -58.5 -43.7 7.3 7.6 31.8 59 62 A A T 345S+ 0 0 33 1,-0.3 -1,-0.2 137,-0.2 138,-0.1 0.832 109.1 46.3 -57.5 -34.6 8.0 9.4 35.1 60 63 A V T 3<5S- 0 0 3 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.367 128.2 -89.3 -93.2 10.9 5.4 12.1 34.3 61 64 A G T < 5S+ 0 0 31 -3,-1.6 2,-1.5 -4,-0.2 -3,-0.2 0.354 84.7 127.2 108.8 -13.9 2.6 9.8 33.2 62 65 A H < + 0 0 15 -5,-1.9 48,-0.2 1,-0.2 -1,-0.2 -0.674 20.4 159.2 -82.4 86.3 3.1 9.3 29.4 63 66 A L + 0 0 120 -2,-1.5 2,-0.4 46,-0.6 47,-0.2 0.611 59.9 50.2 -85.7 -13.3 3.1 5.6 29.3 64 67 A L E +B 109 0B 33 45,-2.2 45,-2.9 -3,-0.1 2,-0.3 -0.993 61.1 179.7-130.3 134.8 2.2 5.4 25.5 65 68 A S E +BC 108 135B 14 70,-0.5 70,-2.8 -2,-0.4 2,-0.3 -0.952 7.5 177.2-130.1 147.8 3.8 7.2 22.6 66 69 A A E -BC 107 134B 1 41,-2.1 41,-2.7 -2,-0.3 2,-0.5 -0.988 30.2-129.0-148.8 149.9 2.9 7.0 19.0 67 70 A F E -BC 106 133B 18 66,-3.2 66,-3.6 -2,-0.3 2,-0.6 -0.891 28.5-164.9 -88.6 132.3 3.8 8.3 15.6 68 71 A V E -BC 105 132B 0 37,-2.6 37,-3.3 -2,-0.5 2,-0.4 -0.955 6.4-158.5-121.5 115.4 0.7 9.5 13.8 69 72 A A E -BC 104 131B 6 62,-2.8 62,-1.8 -2,-0.6 2,-0.4 -0.756 17.5-163.8 -82.2 138.9 0.8 10.1 10.1 70 73 A I E -BC 103 130B 0 33,-3.3 33,-2.2 -2,-0.4 32,-2.1 -0.939 13.4-171.3-132.5 142.5 -2.0 12.4 8.9 71 74 A T E - C 0 129B 19 58,-2.2 58,-2.6 -2,-0.4 30,-0.1 -0.994 32.9-104.6-135.6 126.5 -3.5 13.2 5.6 72 75 A P E - C 0 128B 16 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.239 16.4-143.1 -48.4 128.1 -6.0 16.0 4.7 73 76 A L S S+ 0 0 94 54,-2.8 55,-0.2 1,-0.3 54,-0.1 0.743 100.2 19.1 -64.2 -25.1 -9.5 14.8 4.1 74 77 A D S S- 0 0 73 53,-0.4 -1,-0.3 3,-0.1 3,-0.3 -0.835 71.4-171.0-148.4 99.7 -9.8 17.5 1.3 75 78 A P + 0 0 106 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.313 62.8 93.6 -76.8 5.6 -6.3 18.7 0.1 76 79 A S S S+ 0 0 94 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.982 75.3 55.9 -63.8 -65.2 -7.8 21.6 -2.0 77 80 A Q S S- 0 0 103 -3,-0.3 -3,-0.1 1,-0.1 0, 0.0 -0.433 105.7 -87.8 -67.5 146.1 -7.6 24.7 0.4 78 81 A P - 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.028 53.0 -95.7 -57.8 169.3 -4.1 25.4 1.9 79 82 A D + 0 0 63 1,-0.1 4,-0.2 -3,-0.1 47,-0.0 -0.710 40.9 167.5-109.4 121.1 -3.2 23.6 5.1 80 83 A D > + 0 0 84 -2,-0.5 4,-3.3 46,-0.2 5,-0.3 0.378 45.2 117.5-108.5 7.8 -3.6 24.8 8.5 81 84 A A H > S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.823 76.9 45.0 -52.3 -51.3 -3.0 21.4 10.2 82 85 A P H >> S+ 0 0 10 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.944 117.7 45.6 -52.5 -53.3 0.2 22.4 12.1 83 86 A A H >4 S+ 0 0 52 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.902 115.1 47.2 -54.0 -51.2 -1.3 25.7 13.3 84 87 A R H 3< S+ 0 0 124 -4,-3.3 3,-0.4 1,-0.2 -1,-0.2 0.705 113.0 47.3 -69.1 -19.9 -4.6 24.0 14.2 85 88 A L H X< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.5 6,-0.3 0.547 86.2 88.6 -96.8 -9.5 -2.9 21.1 16.2 86 89 A E T << S+ 0 0 99 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.791 81.6 62.6 -57.0 -23.6 -0.6 23.5 18.0 87 90 A H T 3 S+ 0 0 156 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.3 0.583 82.5 87.4 -81.0 -10.6 -3.4 23.7 20.6 88 91 A I X - 0 0 5 -3,-2.0 3,-1.5 1,-0.2 -3,-0.0 -0.808 64.9-160.4 -93.9 111.4 -3.3 20.0 21.5 89 92 A E T 3 S+ 0 0 113 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.809 83.5 65.0 -70.8 -29.1 -0.7 19.6 24.2 90 93 A E T 3 S+ 0 0 47 17,-0.1 18,-1.9 -3,-0.1 2,-0.9 0.685 79.8 90.7 -74.9 -5.5 -0.1 16.0 23.7 91 94 A V E < +D 107 0B 0 -3,-1.5 16,-0.2 -6,-0.3 202,-0.1 -0.720 51.3 174.9 -84.4 109.7 1.3 16.6 20.3 92 95 A E E + 0 0 20 14,-2.2 201,-2.0 -2,-0.9 2,-0.3 0.711 60.7 17.0 -91.0 -23.6 5.0 17.0 20.8 93 96 A S E -D 106 0B 2 13,-1.2 13,-1.8 199,-0.2 2,-0.4 -0.995 55.5-168.9-147.7 153.2 6.3 17.2 17.2 94 97 A C E +DE 105 290B 0 196,-2.7 195,-2.8 -2,-0.3 196,-1.1 -0.957 11.9 174.6-147.9 119.4 4.9 17.9 13.8 95 98 A Y E -DE 104 288B 14 9,-2.5 9,-2.1 -2,-0.4 2,-0.3 -0.949 27.0-133.9-126.1 140.6 6.7 17.4 10.5 96 99 A S E -DE 103 287B 8 191,-2.7 190,-2.8 -2,-0.4 191,-1.2 -0.782 34.2-171.3 -90.9 158.3 5.7 17.6 6.9 97 100 A V E - E 0 285B 2 5,-1.5 188,-0.2 -2,-0.3 2,-0.2 -0.882 22.7-111.7-149.7 148.4 6.9 14.7 4.9 98 101 A A S S+ 0 0 37 186,-2.3 2,-0.3 -2,-0.3 3,-0.3 -0.624 75.3 40.2 -80.1 160.0 7.1 13.5 1.3 99 102 A G S S- 0 0 51 50,-2.5 -2,-0.1 -2,-0.2 184,-0.0 -0.790 111.4 -21.3 104.6-143.3 5.1 10.5 0.0 100 103 A E S S+ 0 0 181 -2,-0.3 2,-0.2 -29,-0.0 -1,-0.2 0.887 119.8 52.0 -82.8 -33.7 1.6 9.5 0.6 101 104 A E - 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