==== 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 ACTIVATOR 18-FEB-10 3LUR . COMPND 2 MOLECULE: PUTATIVE BACTERIAL TRANSCRIPTION REGULATION PROTE . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 469 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 75.5 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 . 150 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 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 . 51 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 23.7 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+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 0 0 0 3 0 0 0 0 0 0 0 0 5 1 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 . 3 0 0 3 9 3 0 6 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 0 0 0 0 0 0 3 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 0 A G 0 0 77 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.9 20.9 30.5 -11.4 2 1 A X + 0 0 46 98,-0.1 2,-0.0 114,-0.0 0, 0.0 -0.078 360.0 151.3 -99.3 33.4 18.7 28.1 -9.4 3 2 A E + 0 0 140 98,-0.1 98,-0.4 1,-0.0 2,-0.3 -0.365 20.3 179.3 -64.6 142.0 19.6 25.0 -11.3 4 3 A Y - 0 0 81 96,-0.1 2,-0.4 -2,-0.0 96,-0.2 -0.934 25.7-132.3-140.5 162.6 19.4 21.8 -9.2 5 4 A Q E -A 99 0A 135 94,-1.9 94,-2.5 -2,-0.3 2,-0.4 -0.950 25.2-125.4-115.5 138.9 20.0 18.1 -9.5 6 5 A L E +A 98 0A 113 -2,-0.4 2,-0.3 92,-0.2 92,-0.2 -0.708 38.6 167.1 -81.8 132.8 17.4 15.6 -8.2 7 6 A Q E -A 97 0A 98 90,-2.1 90,-2.8 -2,-0.4 2,-0.4 -0.915 20.8-147.8-138.2 162.6 18.9 13.1 -5.7 8 7 A Q E -A 96 0A 144 -2,-0.3 2,-0.4 88,-0.3 88,-0.2 -0.999 7.2-161.4-137.0 142.7 17.4 10.6 -3.3 9 8 A L E -A 95 0A 29 86,-2.8 86,-1.3 -2,-0.4 3,-0.1 -0.951 15.2-134.4-122.2 143.1 18.6 9.3 0.0 10 9 A A - 0 0 74 -2,-0.4 85,-0.2 84,-0.2 2,-0.2 -0.256 59.1 -67.8 -71.2 175.0 17.7 6.3 2.1 11 10 A S - 0 0 66 83,-0.1 2,-0.3 -2,-0.1 82,-0.2 -0.498 63.2-159.4 -69.3 139.2 17.1 7.0 5.8 12 11 A L E -B 92 0A 15 80,-2.5 80,-2.8 -2,-0.2 2,-0.6 -0.880 19.2-128.8-124.2 152.0 20.3 8.0 7.4 13 12 A T E -B 91 0A 30 65,-0.5 65,-2.7 -2,-0.3 2,-0.4 -0.903 27.1-161.8 -97.1 120.9 21.6 8.1 10.9 14 13 A L E -BC 90 77A 0 76,-3.1 76,-2.4 -2,-0.6 2,-0.5 -0.899 4.0-165.3-108.9 131.1 23.0 11.5 11.8 15 14 A V E +BC 89 76A 2 61,-2.7 61,-2.3 -2,-0.4 2,-0.3 -0.970 39.7 83.8-116.2 127.4 25.3 12.0 14.7 16 15 A G E -BC 88 75A 0 72,-2.4 72,-3.1 -2,-0.5 2,-0.4 -0.947 68.9 -61.1 176.3-155.9 26.0 15.5 16.0 17 16 A I E - C 0 74A 15 57,-2.2 57,-2.4 -2,-0.3 2,-0.4 -0.988 36.5-154.0-130.5 136.7 25.1 18.5 18.1 18 17 A K E - C 0 73A 43 -2,-0.4 2,-0.4 55,-0.2 55,-0.2 -0.854 8.4-172.1-116.1 142.3 22.0 20.6 17.8 19 18 A E E - C 0 72A 15 53,-2.3 53,-2.6 -2,-0.4 2,-0.4 -0.976 15.4-146.9-126.1 142.3 21.3 24.2 18.8 20 19 A T E - C 0 71A 19 -2,-0.4 2,-0.3 51,-0.2 51,-0.3 -0.944 13.9-168.8-116.2 133.1 17.8 25.7 18.7 21 20 A Y E - C 0 70A 18 49,-3.1 49,-2.2 -2,-0.4 6,-0.1 -0.795 35.7-107.9-118.1 162.1 17.2 29.3 17.9 22 21 A E S S- 0 0 55 -2,-0.3 2,-0.3 47,-0.2 49,-0.1 0.815 90.7 -30.3 -57.4 -36.8 14.1 31.5 18.1 23 22 A N S > S- 0 0 72 46,-0.2 4,-1.9 47,-0.2 47,-0.2 -0.942 78.1 -69.5-167.2-179.1 13.5 31.6 14.4 24 23 A G H > S+ 0 0 31 44,-0.3 4,-1.7 -2,-0.3 45,-0.0 0.856 124.1 46.3 -53.9 -45.4 15.2 31.4 10.9 25 24 A R H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.901 111.6 49.1 -69.5 -44.1 16.9 34.8 11.1 26 25 A Q H > S+ 0 0 79 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.852 108.2 57.2 -63.4 -32.0 18.3 34.5 14.6 27 26 A A H >X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 3,-1.5 0.960 103.4 52.8 -59.9 -49.1 19.7 31.1 13.5 28 27 A Q H 3X S+ 0 0 68 -4,-1.7 4,-0.5 1,-0.3 -1,-0.2 0.818 107.8 52.1 -54.8 -36.3 21.6 32.8 10.6 29 28 A Q H 3< S+ 0 0 138 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.661 117.7 36.5 -78.8 -15.1 23.2 35.1 13.1 30 29 A H H S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.835 107.1 55.1 -63.1 -36.5 29.7 31.0 15.9 34 33 A F H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.928 109.7 46.3 -64.3 -45.0 28.3 27.5 16.5 35 34 A W H X S+ 0 0 30 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.915 111.7 52.7 -60.3 -43.2 30.7 26.1 13.9 36 35 A Q H X S+ 0 0 114 -4,-2.4 4,-3.3 -5,-0.2 -2,-0.2 0.932 110.6 46.6 -58.8 -47.2 33.5 28.1 15.5 37 36 A R H X S+ 0 0 42 -4,-2.7 4,-2.4 2,-0.2 6,-0.3 0.932 111.1 51.0 -62.2 -47.0 32.8 26.7 18.9 38 37 A C H X>S+ 0 0 4 -4,-2.5 5,-1.9 2,-0.2 6,-1.2 0.904 113.8 45.7 -57.8 -44.1 32.5 23.1 17.6 39 38 A Y H ><5S+ 0 0 138 -4,-2.6 3,-1.3 4,-0.2 -2,-0.2 0.981 113.0 50.0 -58.5 -54.3 35.9 23.5 15.9 40 39 A Q H 3<5S+ 0 0 70 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.797 113.3 46.2 -56.0 -33.4 37.4 25.1 19.0 41 40 A E H 3<5S- 0 0 48 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.591 113.1-112.7 -87.7 -13.3 36.2 22.3 21.2 42 41 A G T S+ 0 0 8 -6,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.932 109.3 48.4 -62.8 -43.0 34.3 18.6 14.5 45 44 A A H > S+ 0 0 68 -7,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.915 112.6 49.2 -63.8 -41.4 37.4 16.3 14.7 46 45 A D H X S+ 0 0 61 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.894 111.3 47.7 -64.6 -43.9 35.5 13.8 16.8 47 46 A L H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.7 0.871 105.3 60.1 -66.0 -34.5 32.5 13.7 14.5 48 47 A Q H 3< S+ 0 0 82 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.814 99.0 57.5 -65.5 -25.4 34.8 13.3 11.5 49 48 A L H 3< S+ 0 0 150 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.752 109.0 46.3 -72.5 -23.4 36.1 10.1 13.0 50 49 A K H << S+ 0 0 67 -3,-1.1 29,-0.4 -4,-0.6 2,-0.4 0.477 81.7 120.8 -93.1 -8.6 32.5 8.8 13.1 51 50 A N < - 0 0 40 -4,-0.7 27,-0.2 -3,-0.4 7,-0.0 -0.443 42.3-170.6 -64.6 115.2 31.7 9.8 9.5 52 51 A N - 0 0 48 25,-3.0 -1,-0.2 -2,-0.4 26,-0.1 0.338 41.3-113.7 -91.1 3.8 30.7 6.7 7.6 53 52 A G S S+ 0 0 48 24,-0.4 3,-0.1 2,-0.3 25,-0.1 0.392 77.7 128.7 81.8 -0.7 30.7 8.3 4.2 54 53 A D S S+ 0 0 85 1,-0.2 2,-0.4 23,-0.2 -1,-0.1 0.851 89.5 24.5 -53.6 -40.1 26.9 8.0 3.5 55 54 A L S S- 0 0 8 2,-0.2 2,-1.7 22,-0.1 -2,-0.3 -0.998 92.6-128.9-122.2 131.7 27.2 11.7 2.7 56 55 A A S S+ 0 0 84 -2,-0.4 2,-0.3 -3,-0.1 -2,-0.0 -0.576 78.7 18.4 -84.5 82.9 30.6 13.0 1.6 57 56 A G S S- 0 0 11 -2,-1.7 2,-0.4 82,-0.1 20,-0.4 -0.947 94.6 -65.1 151.6-172.1 31.1 15.9 4.0 58 57 A I E -D 138 0A 7 80,-2.1 80,-3.3 -2,-0.3 2,-0.3 -0.904 50.3-129.2-111.1 142.7 29.8 17.4 7.2 59 58 A L E -DE 137 75A 0 16,-3.4 16,-2.3 -2,-0.4 2,-0.6 -0.733 17.7-162.2 -99.6 144.0 26.3 18.6 7.5 60 59 A G E -DE 136 74A 0 76,-2.5 76,-2.5 -2,-0.3 2,-0.6 -0.946 30.3-162.3-111.5 96.1 24.7 21.7 8.7 61 60 A L E -DE 135 73A 0 12,-3.4 12,-2.9 -2,-0.6 2,-0.6 -0.774 8.2-151.5 -92.3 121.4 21.2 20.3 9.2 62 61 A C E -DE 134 72A 10 72,-3.3 72,-2.0 -2,-0.6 10,-0.2 -0.799 11.9-170.5 -93.9 122.0 18.3 22.8 9.4 63 62 A I E - E 0 71A 21 8,-3.1 8,-2.6 -2,-0.6 2,-0.1 -0.887 13.0-149.0-118.7 93.6 15.5 21.5 11.5 64 63 A P E - E 0 70A 59 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.486 21.9-140.1 -59.5 129.9 12.4 23.7 11.4 65 64 A E > - 0 0 50 4,-3.1 3,-1.7 -2,-0.1 -45,-0.0 -0.686 14.9-117.4 -94.1 153.4 10.8 23.2 14.8 66 65 A L T 3 S+ 0 0 179 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.874 111.8 56.1 -56.9 -39.4 7.0 22.9 15.2 67 66 A D T 3 S- 0 0 94 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.241 127.9 -92.2 -81.0 14.4 6.7 26.1 17.3 68 67 A G S < S+ 0 0 54 -3,-1.7 -44,-0.3 1,-0.3 -2,-0.1 0.242 88.3 129.2 95.5 -12.4 8.3 28.2 14.6 69 68 A K - 0 0 50 -46,-0.1 -4,-3.1 -5,-0.1 2,-0.4 -0.182 51.2-136.9 -70.1 166.1 11.8 27.9 16.1 70 69 A X E -CE 21 64A 36 -49,-2.2 -49,-3.1 -6,-0.2 2,-0.3 -0.990 14.6-165.4-130.9 123.0 14.7 26.8 13.9 71 70 A S E -CE 20 63A 0 -8,-2.6 -8,-3.1 -2,-0.4 2,-0.4 -0.773 3.5-158.7-102.6 150.7 17.3 24.2 15.0 72 71 A Y E -CE 19 62A 1 -53,-2.6 -53,-2.3 -2,-0.3 2,-0.5 -0.999 6.2-165.0-128.4 127.9 20.7 23.7 13.4 73 72 A X E -CE 18 61A 0 -12,-2.9 -12,-3.4 -2,-0.4 2,-0.6 -0.961 12.3-151.6-118.2 123.7 22.5 20.5 13.8 74 73 A I E +CE 17 60A 0 -57,-2.4 -57,-2.2 -2,-0.5 2,-0.3 -0.829 45.0 146.6 -86.3 123.8 26.2 20.0 12.9 75 74 A A E -CE 16 59A 0 -16,-2.3 -16,-3.4 -2,-0.6 2,-0.3 -0.985 42.4-142.6-158.0 163.3 26.4 16.4 12.1 76 75 A V E -C 15 0A 0 -61,-2.3 -61,-2.7 -2,-0.3 2,-0.4 -0.922 36.9-102.6-127.8 155.2 27.8 13.5 10.1 77 76 A T E +C 14 0A 0 -20,-0.4 -25,-3.0 -22,-0.3 -24,-0.4 -0.667 57.5 162.8 -76.1 128.5 26.3 10.4 8.7 78 77 A G - 0 0 4 -65,-2.7 -65,-0.5 -2,-0.4 2,-0.2 -0.853 40.2 -92.2-140.3 175.1 27.2 7.6 11.0 79 78 A D - 0 0 118 -29,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.616 44.7-111.8 -87.6 150.7 26.5 4.0 12.0 80 79 A N + 0 0 117 -2,-0.2 2,-0.3 3,-0.1 3,-0.1 -0.666 55.5 126.8 -89.1 142.9 24.1 3.4 14.9 81 80 A S S S- 0 0 63 -2,-0.3 3,-0.4 1,-0.1 4,-0.3 -0.941 72.6 -85.9-174.1 171.5 25.5 1.9 18.2 82 81 A A S > S+ 0 0 86 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 0.878 117.7 68.5 -60.8 -36.5 25.4 2.7 21.9 83 82 A D G > S+ 0 0 120 1,-0.3 3,-1.4 2,-0.1 4,-0.3 0.857 87.4 62.7 -49.7 -48.3 28.5 5.0 21.5 84 83 A I G > S+ 0 0 4 -3,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.618 77.7 92.0 -57.9 -16.2 26.7 7.7 19.5 85 84 A A G < S+ 0 0 68 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.722 72.7 66.9 -53.5 -30.7 24.4 8.4 22.5 86 85 A K G < S+ 0 0 84 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.930 108.5 42.6 -56.3 -44.0 26.9 11.2 23.9 87 86 A Y S < S- 0 0 23 -3,-0.9 2,-0.3 -4,-0.3 -70,-0.2 -0.344 113.1 -83.8 -86.7 174.1 25.9 13.2 20.8 88 87 A D E -B 16 0A 18 -72,-3.1 -72,-2.4 -2,-0.1 2,-0.4 -0.678 46.1-165.9 -75.1 137.3 22.4 13.5 19.4 89 88 A V E +B 15 0A 43 -2,-0.3 2,-0.2 -74,-0.2 -74,-0.2 -0.901 20.0 160.3-132.6 99.8 21.8 10.5 17.2 90 89 A I E -B 14 0A 59 -76,-2.4 -76,-3.1 -2,-0.4 2,-0.6 -0.748 38.9-114.5-122.9 167.7 18.8 10.8 14.9 91 90 A T E -B 13 0A 96 -2,-0.2 2,-0.8 -78,-0.2 -78,-0.2 -0.910 14.8-156.4-103.6 122.2 17.2 9.4 11.8 92 91 A L E -B 12 0A 8 -80,-2.8 -80,-2.5 -2,-0.6 3,-0.1 -0.881 32.3-126.9 -92.2 110.7 16.9 11.7 8.8 93 92 A A - 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