==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 07-FEB-05 1YS6 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY PROTEIN PRRA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.NOWAK,S.PANJIKAR,P.TUCKER,MYCOBACTERIUM TUBERCULOSIS STRUC . 452 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 0 2 0 0 3 2 2 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 . 1 2 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 2 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 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 7 A S 0 0 117 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 134.0 10.7 4.2 54.5 2 8 A P - 0 0 52 0, 0.0 25,-2.7 0, 0.0 2,-0.6 -0.353 360.0-125.1 -63.5 143.2 9.1 7.5 53.2 3 9 A R E -a 27 0A 48 23,-0.2 44,-2.5 42,-0.1 45,-1.3 -0.838 28.3-173.4 -97.0 121.0 5.7 8.1 54.7 4 10 A V E -ab 28 48A 0 23,-2.6 25,-2.5 -2,-0.6 2,-0.6 -0.960 12.9-151.3-114.5 126.7 3.0 8.6 52.2 5 11 A L E -ab 29 49A 0 43,-2.7 45,-2.8 -2,-0.5 2,-0.4 -0.879 12.8-160.5 -97.3 125.9 -0.5 9.6 53.3 6 12 A V E -ab 30 50A 0 23,-3.0 25,-1.4 -2,-0.6 2,-0.5 -0.911 4.7-166.9-108.5 133.5 -3.2 8.4 50.9 7 13 A V E +ab 31 51A 0 43,-3.1 45,-2.6 -2,-0.4 2,-0.3 -0.965 23.9 138.6-128.1 116.1 -6.6 10.1 50.9 8 14 A D - 0 0 1 23,-1.8 23,-0.1 -2,-0.5 47,-0.1 -0.948 41.1-150.1-158.7 134.4 -9.7 8.6 49.1 9 15 A D S S+ 0 0 70 -2,-0.3 2,-0.9 45,-0.3 23,-0.1 0.545 81.3 87.7 -88.1 -8.1 -13.3 8.3 50.2 10 16 A D > - 0 0 72 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.802 69.5-156.0 -90.2 111.0 -13.8 5.2 48.2 11 17 A S H > S+ 0 0 86 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.814 89.2 53.8 -61.3 -32.7 -12.8 2.4 50.6 12 18 A D H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.962 114.0 41.4 -59.2 -54.7 -11.9 -0.1 47.8 13 19 A V H > S+ 0 0 44 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.908 114.3 52.6 -61.2 -45.5 -9.6 2.3 46.1 14 20 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.948 112.0 45.5 -56.4 -48.2 -8.1 3.5 49.4 15 21 A A H X S+ 0 0 45 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.861 114.0 49.4 -65.3 -37.2 -7.4 -0.1 50.4 16 22 A S H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.916 111.1 47.5 -69.0 -46.5 -5.9 -0.9 47.0 17 23 A L H X S+ 0 0 10 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.921 113.0 51.5 -55.8 -45.4 -3.6 2.2 47.0 18 24 A E H X S+ 0 0 59 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.944 111.5 44.8 -60.9 -49.7 -2.5 1.3 50.5 19 25 A R H X S+ 0 0 140 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.936 116.2 47.3 -58.1 -50.7 -1.7 -2.2 49.7 20 26 A G H X S+ 0 0 10 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.933 113.5 45.6 -58.4 -50.5 0.2 -1.2 46.5 21 27 A L H <>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 3,-0.2 0.891 112.5 51.8 -64.9 -40.2 2.2 1.6 48.0 22 28 A R H ><5S+ 0 0 105 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.935 110.1 48.4 -61.4 -46.7 3.2 -0.6 51.0 23 29 A L H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 105.5 60.7 -66.0 -18.8 4.3 -3.4 48.7 24 30 A S T 3<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.429 130.2 -93.5 -87.7 -1.8 6.3 -0.8 46.8 25 31 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.570 82.4 130.2 107.3 10.4 8.3 0.1 49.9 26 32 A F < - 0 0 12 -5,-2.3 2,-0.8 -6,-0.1 -1,-0.3 -0.669 58.9-127.5 -97.1 150.2 6.3 3.0 51.4 27 33 A E E -a 3 0A 84 -25,-2.7 -23,-2.6 -2,-0.3 2,-0.5 -0.871 39.3-152.0 -91.2 115.6 5.0 3.5 54.9 28 34 A V E -a 4 0A 12 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.802 23.1-178.1-106.8 126.1 1.4 4.2 54.2 29 35 A A E -a 5 0A 9 -25,-2.5 -23,-3.0 -2,-0.5 2,-0.3 -0.850 18.3-153.9-103.0 151.5 -1.1 6.3 56.3 30 36 A T E -a 6 0A 54 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.875 14.1-175.6-124.9 160.7 -4.8 6.5 55.1 31 37 A A E -a 7 0A 0 -25,-1.4 -23,-1.8 -2,-0.3 3,-0.1 -0.965 18.1-150.4-152.9 142.0 -7.6 9.1 55.5 32 38 A V S S+ 0 0 64 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.526 77.7 5.0 -95.9 -13.3 -11.2 8.7 54.2 33 39 A D S > S- 0 0 24 22,-0.1 4,-2.3 24,-0.1 24,-0.1 -0.933 86.9 -86.4-160.0-179.4 -12.0 12.4 53.6 34 40 A G H > S+ 0 0 0 24,-1.5 4,-2.4 22,-0.7 25,-0.1 0.782 122.3 55.0 -72.2 -31.1 -10.3 15.8 53.7 35 41 A A H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 111.5 43.5 -65.8 -51.0 -11.0 16.3 57.4 36 42 A E H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.847 111.1 57.9 -60.0 -38.0 -9.2 13.0 58.3 37 43 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.955 106.7 46.9 -57.0 -50.3 -6.5 14.0 55.8 38 44 A L H X S+ 0 0 39 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.923 113.8 48.0 -58.5 -41.8 -5.8 17.3 57.6 39 45 A R H X S+ 0 0 158 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.961 113.8 46.0 -64.4 -53.1 -5.7 15.5 61.0 40 46 A S H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.925 111.0 53.3 -54.2 -44.4 -3.4 12.8 59.7 41 47 A A H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.850 116.4 39.5 -61.7 -40.3 -1.1 15.4 58.0 42 48 A T H < S+ 0 0 105 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.869 120.6 41.5 -74.9 -45.0 -0.7 17.3 61.3 43 49 A E H < S+ 0 0 112 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.800 130.6 25.6 -75.9 -25.0 -0.5 14.5 63.6 44 50 A N H < S- 0 0 66 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.385 83.6-142.5-126.4 -1.3 1.8 12.4 61.4 45 51 A R < - 0 0 113 -4,-1.3 -42,-0.1 -5,-0.2 -4,-0.1 0.885 23.6-154.0 36.6 79.9 3.8 14.7 59.0 46 52 A P - 0 0 4 0, 0.0 -42,-0.2 0, 0.0 -1,-0.1 -0.501 18.8-133.8 -77.8 155.6 3.9 12.7 55.9 47 53 A D S S+ 0 0 63 -44,-2.5 2,-0.3 1,-0.2 -43,-0.2 0.752 89.8 3.8 -76.6 -24.5 6.6 13.0 53.3 48 54 A A E -b 4 0A 0 -45,-1.3 -43,-2.7 26,-0.1 2,-0.4 -0.979 66.5-141.9-154.9 157.2 4.0 13.1 50.5 49 55 A I E -bc 5 76A 3 26,-2.2 28,-2.8 -2,-0.3 2,-0.6 -0.986 0.8-158.0-126.6 127.0 0.2 13.1 50.1 50 56 A V E -bc 6 77A 0 -45,-2.8 -43,-3.1 -2,-0.4 2,-0.6 -0.970 28.1-168.6-100.9 115.9 -1.8 11.3 47.4 51 57 A L E -bc 7 78A 0 26,-2.9 28,-2.4 -2,-0.6 -43,-0.1 -0.913 19.6-148.7-126.3 109.4 -5.1 13.2 47.4 52 58 A D E - c 0 79A 10 -45,-2.6 28,-0.2 -2,-0.6 3,-0.1 -0.413 13.5-148.2 -65.2 155.0 -8.4 12.3 45.8 53 59 A I S S+ 0 0 13 26,-1.7 7,-3.2 1,-0.2 2,-1.0 0.967 78.0 59.8 -95.5 -57.0 -10.4 15.4 44.7 54 60 A N S S+ 0 0 116 25,-0.3 -45,-0.3 5,-0.2 -1,-0.2 -0.617 70.7 135.6 -83.4 104.6 -14.0 14.5 45.1 55 61 A M - 0 0 19 -2,-1.0 -22,-0.1 -3,-0.1 2,-0.0 -0.975 50.0-112.9-141.9 153.3 -14.7 13.5 48.7 56 62 A P S S+ 0 0 71 0, 0.0 2,-2.6 0, 0.0 -22,-0.7 -0.225 93.2 24.9 -77.2 174.2 -17.5 14.3 51.3 57 63 A V S S+ 0 0 118 -24,-0.1 2,-0.3 -23,-0.1 -24,-0.1 -0.372 138.4 5.4 72.5 -64.1 -16.9 16.4 54.5 58 64 A L S S- 0 0 50 -2,-2.6 -24,-1.5 4,-0.0 -23,-0.1 -0.923 82.7-136.2-149.1 123.4 -14.0 18.2 53.0 59 65 A D > - 0 0 49 -2,-0.3 4,-2.5 -26,-0.1 -5,-0.2 -0.222 25.6-105.5 -78.2 168.2 -12.8 17.9 49.3 60 66 A G H > S+ 0 0 0 -7,-3.2 4,-2.6 1,-0.2 5,-0.2 0.863 121.1 51.8 -60.0 -38.8 -9.3 17.6 47.8 61 67 A V H > S+ 0 0 34 -8,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.938 111.0 47.7 -65.2 -44.2 -9.3 21.1 46.5 62 68 A S H > S+ 0 0 51 1,-0.2 4,-2.8 -9,-0.2 -2,-0.2 0.900 111.2 52.1 -64.7 -40.5 -10.2 22.4 50.0 63 69 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.918 111.3 45.1 -57.9 -50.4 -7.5 20.2 51.5 64 70 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.935 114.4 50.3 -60.3 -43.1 -4.8 21.6 49.2 65 71 A T H X S+ 0 0 72 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.921 112.4 45.6 -59.9 -46.5 -6.1 25.1 49.8 66 72 A A H X S+ 0 0 29 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.933 113.6 50.5 -66.0 -45.6 -6.1 24.7 53.6 67 73 A L H <>S+ 0 0 2 -4,-2.8 5,-2.5 -5,-0.2 -2,-0.2 0.941 114.8 42.0 -57.3 -48.6 -2.6 23.1 53.5 68 74 A R H ><5S+ 0 0 38 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.873 111.2 55.6 -67.9 -36.2 -1.1 25.9 51.4 69 75 A A H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.6 51.8 -62.6 -35.1 -3.0 28.6 53.4 70 76 A M T 3<5S- 0 0 110 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.165 119.6-112.4 -87.4 16.0 -1.3 27.1 56.5 71 77 A D T < 5 + 0 0 45 -3,-1.7 242,-0.8 1,-0.2 2,-0.8 0.762 66.4 148.5 60.0 32.1 2.1 27.3 54.9 72 78 A N < - 0 0 41 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.878 26.9-173.6 -98.7 110.3 2.5 23.6 54.7 73 79 A D + 0 0 58 -2,-0.8 -1,-0.1 240,-0.2 3,-0.1 0.080 25.9 151.0 -93.2 21.8 4.5 22.8 51.6 74 80 A V - 0 0 2 1,-0.1 -26,-0.1 -7,-0.1 2,-0.1 -0.285 57.3 -98.5 -54.4 137.4 4.1 19.0 51.8 75 81 A P - 0 0 6 0, 0.0 -26,-2.2 0, 0.0 2,-0.4 -0.369 45.0-168.4 -55.1 129.2 4.2 17.3 48.3 76 82 A V E -c 49 0A 0 -28,-0.2 20,-2.4 18,-0.2 21,-1.1 -0.997 16.7-171.6-131.7 120.6 0.8 16.6 47.1 77 83 A C E -cd 50 97A 0 -28,-2.8 -26,-2.9 -2,-0.4 2,-0.3 -0.982 21.3-151.6-103.7 119.2 -0.2 14.5 44.1 78 84 A V E -cd 51 98A 0 19,-2.4 21,-2.5 -2,-0.5 2,-0.7 -0.650 11.0-141.3 -92.6 145.0 -3.9 14.9 43.4 79 85 A L E +cd 52 99A 2 -28,-2.4 -26,-1.7 -2,-0.3 -25,-0.3 -0.954 44.9 161.1-108.3 106.3 -6.1 12.2 41.8 80 86 A S E - d 0 100A 18 19,-1.9 21,-1.0 -2,-0.7 8,-0.1 -0.172 48.0-118.3-136.8 140.0 -8.3 14.3 39.5 81 87 A A 0 0 73 19,-0.2 19,-0.1 -2,-0.1 7,-0.1 0.609 360.0 360.0 -18.1 -35.2 -10.5 14.1 36.6 82 88 A R 0 0 43 2,-0.1 4,-0.4 5,-0.1 5,-0.3 0.509 360.0 360.0 98.7 360.0 -9.0 16.3 33.8 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 91 A V 0 0 138 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 163.2 -13.2 19.5 32.2 85 92 A D - 0 0 125 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 -0.091 360.0-100.5 85.7 -26.0 -12.6 23.2 31.4 86 93 A D S S+ 0 0 144 -4,-0.4 -1,-0.2 1,-0.4 2,-0.1 0.225 91.9 137.0 71.2 1.4 -9.5 21.1 30.9 87 94 A R - 0 0 98 -3,-0.5 2,-0.5 -5,-0.3 -1,-0.4 -0.413 50.6-155.3 -69.3 146.2 -8.8 22.7 34.3 88 95 A V >> - 0 0 2 1,-0.1 4,-1.5 -6,-0.1 3,-0.9 -0.910 11.7-166.0-123.9 93.1 -7.3 20.6 37.1 89 96 A A H 3> S+ 0 0 29 -2,-0.5 4,-1.7 1,-0.3 5,-0.2 0.820 81.4 59.2 -62.6 -34.6 -8.6 22.6 40.1 90 97 A G H 3>>S+ 0 0 0 1,-0.2 5,-2.7 2,-0.2 4,-0.6 0.851 103.9 51.6 -58.9 -42.0 -6.3 20.9 42.6 91 98 A L H X45S+ 0 0 0 -3,-0.9 3,-0.9 3,-0.2 -1,-0.2 0.918 110.0 48.3 -56.0 -51.8 -3.1 22.0 40.7 92 99 A E H 3<5S+ 0 0 76 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.841 108.0 56.5 -59.4 -34.4 -4.3 25.7 40.6 93 100 A A H 3<5S- 0 0 25 -4,-1.7 -1,-0.2 61,-0.0 -2,-0.2 0.639 135.9 -82.5 -73.3 -18.0 -5.0 25.4 44.4 94 101 A G T <<5S+ 0 0 0 -3,-0.9 -3,-0.2 -4,-0.6 62,-0.2 0.488 77.4 145.2 126.3 13.5 -1.4 24.4 45.0 95 102 A A < - 0 0 0 -5,-2.7 -1,-0.2 -6,-0.1 -18,-0.1 -0.362 43.4-139.3 -73.3 158.6 -1.0 20.6 44.3 96 103 A D S S- 0 0 0 -20,-2.4 2,-0.3 1,-0.2 -19,-0.2 0.697 71.6 -11.6 -96.9 -20.7 2.4 19.6 42.8 97 104 A D E -d 77 0A 1 -21,-1.1 -19,-2.4 2,-0.0 2,-0.3 -0.961 63.6-143.6-164.8 175.3 1.3 17.0 40.3 98 105 A Y E -d 78 0A 22 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.994 7.1-157.4-151.2 157.9 -1.7 15.0 39.3 99 106 A L E -d 79 0A 6 -21,-2.5 -19,-1.9 -2,-0.3 2,-0.6 -0.997 20.3-134.3-133.3 144.8 -2.9 11.7 38.0 100 107 A V E -d 80 0A 52 -2,-0.4 -19,-0.2 -21,-0.2 -21,-0.1 -0.865 39.7 -95.4-102.3 120.7 -6.2 10.9 36.3 101 108 A K S S+ 0 0 74 -21,-1.0 2,-0.1 -2,-0.6 3,-0.0 -0.531 102.7 55.2 -67.0 140.2 -8.1 7.8 37.5 102 109 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.483 79.3 149.0 -82.9 149.6 -8.0 5.1 36.3 103 110 A F - 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