==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 13-SEP-11 4A0Z . COMPND 2 MOLECULE: TRANSCRIPTION FACTOR FAPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.ALBANESI,M.E.GUERIN,A.BUSCHIAZZO,D.DE MENDOZA,P.M.ALZARI . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 80.4 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 . 114 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 0 1 1 1 0 2 1 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 . 4 0 0 0 3 0 2 0 2 4 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 0 0 0 1 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 K > 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.4 9.4 47.6 38.2 2 8 A L H > + 0 0 81 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.861 360.0 47.7 -70.5 -38.8 5.6 48.2 38.0 3 9 A K H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 111.2 53.6 -65.0 -44.5 5.4 46.9 34.4 4 10 A K H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.896 106.7 50.5 -53.0 -48.5 7.5 43.9 35.4 5 11 A D H X S+ 0 0 94 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 111.5 47.3 -62.9 -43.6 5.2 42.9 38.2 6 12 A K H X S+ 0 0 88 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.888 113.8 48.6 -64.0 -40.8 2.1 43.1 36.0 7 13 A R H X S+ 0 0 47 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 110.8 51.0 -63.8 -42.1 3.9 41.0 33.3 8 14 A R H X S+ 0 0 53 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.894 109.4 49.6 -64.2 -42.8 4.9 38.5 36.0 9 15 A E H X S+ 0 0 57 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.936 111.5 50.3 -55.6 -47.0 1.3 38.2 37.2 10 16 A A H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.861 109.2 51.2 -63.5 -35.7 0.3 37.7 33.6 11 17 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.921 105.4 54.4 -67.3 -44.9 3.0 35.0 33.2 12 18 A R H X S+ 0 0 126 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 110.2 48.8 -52.5 -43.7 1.8 33.1 36.3 13 19 A Q H X S+ 0 0 140 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.887 108.2 52.9 -62.8 -42.5 -1.7 33.1 34.6 14 20 A Q H X S+ 0 0 62 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.945 112.2 45.2 -56.5 -49.1 -0.3 31.8 31.3 15 21 A I H < S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 110.9 53.5 -65.6 -36.3 1.4 28.9 33.1 16 22 A D H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.890 118.5 35.4 -64.1 -41.6 -1.6 28.2 35.2 17 23 A S H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.886 135.2 22.9 -78.4 -40.7 -3.8 28.0 32.0 18 24 A N >< - 0 0 66 -4,-3.3 3,-1.8 -5,-0.2 -1,-0.3 -0.793 68.3-177.4-132.9 80.0 -1.2 26.4 29.7 19 25 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.707 81.6 51.4 -58.6 -20.4 1.4 24.6 31.8 20 26 A F T 3 S+ 0 0 51 32,-0.1 -5,-0.1 2,-0.0 2,-0.1 0.132 75.6 137.1-109.9 23.6 3.5 23.6 28.8 21 27 A I < - 0 0 3 -3,-1.8 2,-0.1 -7,-0.1 28,-0.1 -0.375 50.0-123.6 -67.0 143.1 3.8 27.0 27.1 22 28 A T > - 0 0 47 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.474 14.0-118.7 -86.7 160.8 7.3 27.8 25.7 23 29 A D H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.822 115.6 57.2 -62.6 -32.9 9.5 30.8 26.5 24 30 A H H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.962 106.9 46.7 -63.6 -53.5 9.3 31.8 22.8 25 31 A E H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.902 115.0 47.4 -50.6 -48.9 5.5 32.0 22.9 26 32 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.880 109.1 54.2 -62.3 -40.7 5.7 34.0 26.1 27 33 A S H X>S+ 0 0 16 -4,-2.7 5,-1.3 2,-0.2 4,-0.8 0.908 112.0 44.7 -59.6 -44.3 8.4 36.2 24.6 28 34 A D H ><5S+ 0 0 80 -4,-2.6 3,-0.7 2,-0.2 -2,-0.2 0.950 112.0 51.8 -60.8 -53.2 6.0 37.0 21.6 29 35 A L H 3<5S+ 0 0 103 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.6 31.4 -55.0 -44.8 2.9 37.5 23.8 30 36 A F H 3<5S- 0 0 52 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.442 101.4-126.1 -99.4 -0.3 4.5 40.1 26.2 31 37 A Q T <<5 + 0 0 159 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.899 68.7 119.2 53.4 47.1 6.9 41.7 23.7 32 38 A V S - 0 0 60 -2,-0.3 4,-1.8 1,-0.1 3,-0.1 -0.264 33.9-114.3 -63.4 155.6 13.2 39.2 25.1 34 40 A I H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.840 120.2 61.5 -55.3 -32.1 13.5 35.4 25.9 35 41 A Q H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 102.6 47.6 -62.0 -46.8 16.1 36.6 28.4 36 42 A T H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.897 110.6 52.9 -59.6 -39.7 13.5 38.7 30.3 37 43 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.913 107.9 49.9 -66.6 -44.1 11.1 35.7 30.3 38 44 A R H X S+ 0 0 116 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.937 113.0 47.1 -55.3 -48.2 13.7 33.4 31.8 39 45 A L H X S+ 0 0 89 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 111.1 52.3 -63.2 -41.3 14.3 36.1 34.5 40 46 A D H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.947 111.2 46.0 -55.8 -51.5 10.6 36.5 35.0 41 47 A R H X>S+ 0 0 14 -4,-3.1 5,-2.5 2,-0.2 4,-0.6 0.899 109.5 56.5 -59.3 -40.1 10.2 32.7 35.5 42 48 A T H ><5S+ 0 0 88 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.922 108.4 45.4 -60.8 -47.7 13.2 32.7 37.8 43 49 A Y H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.2 47.3 -57.4 -40.8 11.6 35.3 40.1 44 50 A L H 3<5S- 0 0 8 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.463 109.7-125.4 -79.4 -2.7 8.3 33.3 39.9 45 51 A N T <<5 + 0 0 140 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.859 58.7 149.3 52.2 41.2 10.2 30.0 40.7 46 52 A I < - 0 0 15 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.905 42.8-131.4-100.6 116.9 8.7 28.5 37.5 47 53 A P - 0 0 50 0, 0.0 5,-0.0 0, 0.0 -5,-0.0 -0.161 30.6 -84.8 -68.0 165.0 11.1 25.9 36.0 48 54 A E >> - 0 0 97 1,-0.1 4,-2.2 4,-0.0 3,-0.6 -0.264 51.2 -99.2 -61.4 158.5 12.2 25.8 32.4 49 55 A L H 3> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.845 120.2 49.8 -57.3 -43.8 9.7 23.8 30.2 50 56 A R H 3> S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.842 112.3 49.1 -66.0 -34.2 11.7 20.5 30.0 51 57 A K H <> S+ 0 0 109 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.883 107.8 53.4 -69.7 -41.6 12.1 20.5 33.8 52 58 A R H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.904 110.2 49.6 -57.9 -41.5 8.3 21.2 34.3 53 59 A I H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.954 111.5 46.9 -61.7 -52.9 7.6 18.2 32.0 54 60 A K H X S+ 0 0 51 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.901 114.2 48.7 -53.8 -46.5 10.0 15.8 34.0 55 61 A L H X S+ 0 0 72 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.915 113.7 43.7 -63.7 -47.0 8.6 17.0 37.3 56 62 A V H X S+ 0 0 42 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.877 112.8 52.3 -70.2 -35.8 4.9 16.6 36.4 57 63 A A H X S+ 0 0 4 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.928 105.1 55.5 -66.4 -44.9 5.5 13.1 34.7 58 64 A E H X S+ 0 0 121 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.901 111.3 45.4 -48.8 -45.0 7.3 11.8 37.8 59 65 A K H < S+ 0 0 98 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.874 112.7 51.8 -68.0 -40.1 4.1 12.8 39.8 60 66 A N H >X S+ 0 0 10 -4,-2.3 3,-2.3 16,-0.3 4,-0.9 0.927 101.7 56.8 -63.6 -48.3 1.9 11.2 37.1 61 67 A Y H 3< S+ 0 0 25 -4,-3.3 3,-0.5 1,-0.3 -1,-0.2 0.829 102.6 59.9 -54.6 -30.0 3.7 7.8 37.0 62 68 A D T 3< S+ 0 0 137 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.702 103.0 51.8 -67.0 -22.5 2.9 7.7 40.8 63 69 A Q T <4 S+ 0 0 84 -3,-2.3 2,-0.2 -4,-0.4 -1,-0.2 0.617 96.9 79.6 -90.7 -19.5 -0.9 7.9 40.0 64 70 A I < + 0 0 19 -4,-0.9 57,-0.1 -3,-0.5 55,-0.1 -0.643 44.9 178.4 -96.4 155.8 -1.0 5.0 37.5 65 71 A S + 0 0 61 55,-0.3 -1,-0.1 53,-0.3 56,-0.1 0.404 69.2 69.0-129.7 -6.2 -1.2 1.3 38.3 66 72 A S S S+ 0 0 17 52,-0.3 2,-0.3 1,-0.2 59,-0.3 0.585 104.7 18.7-101.1 -13.0 -1.4 -0.4 34.8 67 73 A I S S- 0 0 13 51,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.983 72.7-119.6-160.4 144.5 2.1 0.3 33.4 68 74 A E >> - 0 0 81 -2,-0.3 3,-2.2 1,-0.1 4,-0.8 -0.662 26.6-117.1 -93.8 146.6 5.5 1.3 34.6 69 75 A E G >4 S+ 0 0 119 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.844 113.3 60.1 -42.2 -45.9 7.4 4.4 33.6 70 76 A Q G 34 S+ 0 0 99 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.676 111.3 40.0 -61.9 -22.4 10.2 2.3 32.0 71 77 A E G <4 S+ 0 0 31 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.437 93.3 105.9-106.4 -1.1 7.7 0.7 29.6 72 78 A F << - 0 0 15 -3,-1.2 2,-0.7 -4,-0.8 39,-0.1 -0.592 66.2-135.0 -82.8 138.6 5.7 3.9 28.9 73 79 A I - 0 0 45 37,-0.3 2,-0.1 -2,-0.3 42,-0.1 -0.837 69.8 -7.6-100.1 115.0 6.2 5.6 25.5 74 80 A G S S- 0 0 17 -2,-0.7 2,-0.5 13,-0.1 15,-0.2 -0.438 100.4 -54.4 97.6-172.2 6.6 9.4 25.8 75 81 A D E -A 88 0A 62 13,-2.6 13,-1.8 -2,-0.1 2,-1.1 -0.939 45.4-135.1-109.6 121.2 6.2 11.7 28.8 76 82 A L E +A 87 0A 0 -2,-0.5 -16,-0.3 11,-0.2 11,-0.3 -0.639 32.1 170.1 -77.4 101.6 2.9 11.4 30.6 77 83 A I E + 0 0 6 9,-1.3 2,-0.3 -2,-1.1 10,-0.2 0.655 62.3 18.3 -93.7 -16.9 2.1 15.1 31.1 78 84 A Q E +A 86 0A 44 8,-1.6 8,-2.6 -21,-0.0 2,-0.3 -0.955 60.9 174.1-153.2 133.8 -1.5 14.8 32.4 79 85 A V E +A 85 0A 10 -2,-0.3 6,-0.2 6,-0.2 40,-0.0 -0.955 15.9 172.3-144.9 125.7 -3.5 12.0 33.9 80 86 A N E >> -A 84 0A 80 4,-3.2 3,-2.3 -2,-0.3 4,-1.7 -0.937 48.4-121.8-120.0 100.8 -7.1 11.8 35.4 81 87 A P T 34 S+ 0 0 24 0, 0.0 39,-0.2 0, 0.0 38,-0.1 -0.102 88.1 5.6 -58.2 141.4 -7.4 8.0 35.8 82 88 A N T 34 S+ 0 0 55 37,-3.0 38,-0.1 1,-0.1 3,-0.1 0.470 132.8 55.8 69.5 3.2 -10.3 6.4 33.9 83 89 A V T <4 S- 0 0 75 -3,-2.3 67,-2.7 1,-0.3 2,-0.3 0.657 109.6 -17.1-125.2 -67.4 -11.2 9.8 32.3 84 90 A K E < +AB 80 149A 71 -4,-1.7 -4,-3.2 65,-0.2 2,-0.3 -0.997 50.0 174.5-153.2 143.0 -8.4 11.6 30.3 85 91 A A E -AB 79 148A 0 63,-2.2 63,-3.2 -2,-0.3 2,-0.3 -0.985 9.2-160.1-146.6 157.3 -4.7 11.6 29.8 86 92 A Q E -AB 78 147A 40 -8,-2.6 -8,-1.6 -2,-0.3 -9,-1.3 -0.994 6.8-178.5-136.9 150.4 -2.0 13.2 27.6 87 93 A S E -AB 76 146A 0 59,-2.0 59,-2.4 -2,-0.3 2,-0.4 -0.937 14.3-144.9-136.7 158.8 1.5 12.4 26.6 88 94 A I E -AB 75 145A 15 -13,-1.8 -13,-2.6 -2,-0.3 2,-0.4 -0.958 12.0-170.6-123.1 148.8 4.2 14.1 24.5 89 95 A L E - B 0 144A 26 55,-1.6 55,-2.9 -2,-0.4 2,-0.4 -0.969 15.6-143.4-141.6 121.4 6.7 12.4 22.3 90 96 A D E - B 0 143A 58 -2,-0.4 2,-0.8 53,-0.2 53,-0.2 -0.693 20.9-134.4 -79.4 135.1 9.7 14.0 20.6 91 97 A I + 0 0 2 51,-2.5 50,-2.8 -2,-0.4 2,-0.1 -0.836 32.8 175.6 -96.4 107.8 10.3 12.5 17.2 92 98 A T > - 0 0 62 -2,-0.8 3,-2.1 48,-0.2 4,-0.2 -0.435 51.3 -86.6-101.5-179.8 14.0 11.8 16.8 93 99 A S G > S+ 0 0 87 1,-0.3 3,-1.0 2,-0.2 8,-0.1 0.758 125.8 65.6 -60.0 -25.7 16.0 10.1 14.0 94 100 A D G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.669 102.3 49.4 -67.3 -18.8 15.3 6.7 15.8 95 101 A S G < S+ 0 0 19 -3,-2.1 9,-2.7 2,-0.1 2,-0.3 0.377 104.3 67.3-103.4 3.3 11.6 7.2 15.0 96 102 A V B < S-L 103 0B 16 -3,-1.0 2,-0.6 7,-0.3 7,-0.3 -0.812 86.1 -99.0-125.9 159.1 11.6 8.0 11.3 97 103 A F >> - 0 0 31 5,-2.8 4,-2.8 -2,-0.3 3,-0.6 -0.713 41.6-141.1 -66.4 118.2 12.3 6.8 7.8 98 104 A H T 34 S+ 0 0 129 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.810 94.1 50.6 -59.8 -33.6 15.8 8.2 7.4 99 105 A K T 34 S+ 0 0 79 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.818 124.9 23.9 -77.2 -28.7 15.4 9.2 3.8 100 106 A T T <4 S- 0 0 76 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.597 92.8-128.3-111.3 -18.5 12.1 11.1 4.1 101 107 A G < + 0 0 12 -4,-2.8 39,-2.3 1,-0.3 2,-0.4 0.556 58.9 146.2 73.8 9.5 12.1 12.2 7.8 102 108 A I B -M 139 0C 22 -5,-0.4 -5,-2.8 37,-0.2 -1,-0.3 -0.640 52.0-116.4 -82.1 130.0 8.6 10.6 8.1 103 109 A A B -L 96 0B 8 35,-2.8 -7,-0.3 -2,-0.4 35,-0.3 -0.389 32.2-107.2 -66.4 136.9 7.7 9.1 11.5 104 110 A R >> - 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