==== 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 27-JUN-07 2JRL . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR (NTRC FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.LEE,E.HONG,M.DOUCLEFF,J.G.PELTON,D.E.WEMMER,BERKELEY STRUC . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 1 3 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 1 A M 0 0 150 0, 0.0 2,-2.4 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 131.6 2.1 -0.0 -1.2 2 2 A K + 0 0 70 23,-0.2 25,-2.0 45,-0.1 2,-0.3 -0.288 360.0 162.9 -77.2 55.5 3.7 -3.1 -2.7 3 3 A R B +a 27 0A 78 -2,-2.4 45,-1.2 23,-0.2 2,-0.3 -0.571 10.5 174.9 -79.7 138.3 7.2 -1.6 -2.3 4 4 A V E -b 48 0B 0 23,-1.9 2,-0.6 -2,-0.3 45,-0.2 -0.995 20.7-154.6-147.2 138.4 10.1 -4.0 -2.4 5 5 A L E -b 49 0B 0 43,-0.7 45,-2.7 -2,-0.3 2,-0.8 -0.939 8.4-160.5-118.3 112.5 13.9 -3.6 -2.3 6 6 A V E -bc 50 30B 4 23,-1.6 25,-0.9 -2,-0.6 2,-0.7 -0.813 6.5-163.1 -95.2 110.8 16.1 -6.3 -3.9 7 7 A V E +bc 51 31B 1 43,-3.7 45,-1.8 -2,-0.8 2,-0.3 -0.835 31.1 133.6 -97.7 113.5 19.6 -6.1 -2.7 8 8 A D - 0 0 5 23,-1.2 23,-0.2 -2,-0.7 6,-0.1 -0.882 53.8-141.6-162.1 125.7 22.1 -8.0 -4.9 9 9 A D S S+ 0 0 59 45,-0.5 2,-0.8 -2,-0.3 23,-0.1 0.414 89.1 88.3 -67.4 5.3 25.5 -7.2 -6.3 10 10 A E >> - 0 0 92 21,-0.2 4,-2.0 1,-0.2 3,-1.1 -0.790 53.6-179.3-109.8 88.9 24.3 -9.0 -9.4 11 11 A E H 3> S+ 0 0 148 -2,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.748 81.8 67.1 -56.6 -23.3 22.5 -6.4 -11.6 12 12 A S H 3> S+ 0 0 91 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.903 108.1 35.2 -65.1 -42.3 21.9 -9.4 -14.0 13 13 A I H X> S+ 0 0 47 -3,-1.1 4,-2.4 2,-0.2 3,-1.3 0.967 115.8 51.6 -76.0 -57.6 19.6 -11.1 -11.5 14 14 A T H 3X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.827 104.9 61.3 -48.7 -34.7 17.9 -8.0 -9.9 15 15 A S H 3X S+ 0 0 82 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.3 0.897 110.9 37.8 -60.8 -41.9 17.1 -6.9 -13.5 16 16 A S H XX S+ 0 0 67 -3,-1.3 4,-1.5 -4,-0.8 3,-1.3 0.961 116.4 48.8 -74.5 -54.8 15.0 -10.0 -14.1 17 17 A L H 3X S+ 0 0 18 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.757 109.4 57.4 -56.9 -24.1 13.4 -10.3 -10.6 18 18 A S H 3X S+ 0 0 19 -4,-1.7 4,-2.3 -5,-0.4 -1,-0.3 0.787 100.1 57.0 -77.6 -28.8 12.6 -6.6 -11.1 19 19 A A H S+ 0 0 2 -4,-1.4 5,-1.7 -5,-0.2 3,-0.3 0.928 111.3 45.1 -67.7 -46.4 8.0 -7.5 -9.5 22 22 A E H ><5S+ 0 0 122 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.746 107.4 62.0 -69.1 -23.5 7.1 -4.4 -11.4 23 23 A E H 3<5S+ 0 0 136 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 99.4 52.5 -69.9 -38.4 4.7 -6.5 -13.5 24 24 A E T 3<5S- 0 0 90 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.394 128.5 -99.5 -78.2 4.4 2.6 -7.4 -10.5 25 25 A G T < 5S+ 0 0 43 -3,-0.8 -23,-0.2 1,-0.3 -3,-0.2 0.324 84.7 131.3 94.4 -7.8 2.4 -3.7 -9.7 26 26 A Y < - 0 0 22 -5,-1.7 -1,-0.3 -6,-0.2 -23,-0.2 -0.169 61.7-119.3 -72.3 170.3 5.1 -3.9 -7.1 27 27 A H B -a 3 0A 84 -25,-2.0 -23,-1.9 -3,-0.1 2,-0.1 -0.791 29.8-162.5-117.5 88.2 8.1 -1.5 -7.0 28 28 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.388 8.4-168.8 -69.8 144.1 11.4 -3.5 -7.4 29 29 A D - 0 0 62 -25,-0.2 -23,-1.6 -2,-0.1 2,-0.4 -0.907 11.2-142.6-133.1 160.8 14.7 -2.0 -6.3 30 30 A T E +c 6 0B 71 -2,-0.3 2,-0.3 -25,-0.1 -23,-0.2 -0.960 15.6 176.4-127.3 144.0 18.4 -2.7 -6.7 31 31 A A E -c 7 0B 4 -25,-0.9 -23,-1.2 -2,-0.4 -21,-0.2 -0.934 19.0-173.4-150.4 122.2 21.3 -2.3 -4.3 32 32 A K S S+ 0 0 107 -2,-0.3 2,-0.4 -25,-0.2 25,-0.3 0.568 82.7 41.9 -88.1 -10.9 24.9 -3.3 -4.7 33 33 A T > - 0 0 26 1,-0.1 4,-1.2 23,-0.1 -1,-0.1 -1.000 66.7-146.3-140.2 139.2 25.7 -2.3 -1.1 34 34 A L H >> S+ 0 0 0 -2,-0.4 4,-2.0 2,-0.2 3,-1.0 0.962 99.1 61.6 -65.7 -53.6 23.8 -2.8 2.1 35 35 A R H 3> S+ 0 0 158 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.842 105.8 49.8 -40.6 -41.6 24.9 0.5 3.7 36 36 A E H 3> S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.883 108.8 50.6 -67.5 -39.4 23.1 2.2 0.8 37 37 A A H X S+ 0 0 38 -4,-1.4 3,-1.2 1,-0.2 4,-0.8 0.854 109.1 65.5 -73.4 -35.9 16.9 4.7 2.3 41 41 A I H 3< S+ 0 0 15 -4,-1.6 5,-0.3 1,-0.3 -1,-0.2 0.811 111.3 37.0 -55.9 -30.7 15.5 1.9 4.5 42 42 A K T 3< S+ 0 0 125 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.424 114.1 57.6-100.4 -2.3 15.4 4.5 7.3 43 43 A E T <4 S+ 0 0 139 -3,-1.2 2,-0.3 -4,-0.2 -2,-0.2 0.346 115.8 23.9-107.0 2.3 14.4 7.3 5.0 44 44 A L S < S- 0 0 57 -4,-0.8 2,-0.6 -3,-0.1 -1,-0.1 -0.969 86.0 -93.2-157.7 168.5 11.3 5.6 3.7 45 45 A F - 0 0 126 -2,-0.3 -3,-0.1 -3,-0.1 -42,-0.1 -0.811 38.0-179.1 -95.0 121.2 8.6 3.0 4.5 46 46 A F - 0 0 12 -2,-0.6 29,-0.2 -5,-0.3 3,-0.1 -0.958 14.2-174.8-125.6 115.7 9.4 -0.5 3.2 47 47 A P S S+ 0 0 10 0, 0.0 28,-1.8 0, 0.0 2,-0.4 0.963 77.0 11.3 -69.8 -54.9 6.9 -3.4 3.8 48 48 A V E -bd 4 75B 0 -45,-1.2 -43,-0.7 26,-0.2 2,-0.3 -0.992 67.4-177.0-132.2 135.8 9.0 -6.2 2.3 49 49 A I E -bd 5 76B 11 26,-2.1 28,-2.4 -2,-0.4 2,-0.5 -0.976 15.8-144.0-132.8 145.6 12.6 -6.3 1.3 50 50 A V E +bd 6 77B 17 -45,-2.7 -43,-3.7 -2,-0.3 2,-0.4 -0.935 20.9 171.6-113.1 123.9 14.9 -8.9 -0.3 51 51 A L E -bd 7 78B 2 26,-2.5 28,-0.6 -2,-0.5 -43,-0.1 -0.945 18.7-148.5-135.3 113.7 18.5 -9.2 0.6 52 52 A D E - d 0 79B 1 -45,-1.8 28,-0.2 -2,-0.4 26,-0.0 -0.185 18.3-125.5 -72.0 168.8 20.7 -12.1 -0.5 53 53 A V S S+ 0 0 12 26,-2.6 2,-2.3 1,-0.1 27,-0.2 0.910 92.1 83.0 -82.0 -47.1 23.6 -13.5 1.5 54 54 A W + 0 0 154 25,-0.4 -45,-0.5 5,-0.1 -1,-0.1 -0.348 66.3 154.1 -61.2 80.2 26.3 -13.2 -1.1 55 55 A M - 0 0 15 -2,-2.3 -22,-0.1 1,-0.1 4,-0.1 -0.896 45.8-145.5-116.6 144.5 27.0 -9.5 -0.3 56 56 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.941 101.4 40.6 -69.8 -50.0 30.3 -7.5 -0.8 57 57 A D S S- 0 0 102 -25,-0.3 2,-0.3 1,-0.3 -24,-0.1 0.957 133.0 -37.9 -64.7 -52.6 29.9 -5.3 2.3 58 58 A G S S- 0 0 26 -5,-0.1 -1,-0.3 0, 0.0 -24,-0.1 -0.953 70.5 -73.6-172.7 153.5 28.7 -8.1 4.6 59 59 A D - 0 0 102 -2,-0.3 4,-0.4 -3,-0.1 -6,-0.1 0.048 36.3-132.6 -46.4 160.9 26.4 -11.1 4.8 60 60 A G S > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.1 -7,-0.1 0.813 97.8 67.4 -89.2 -34.3 22.7 -10.6 4.8 61 61 A V T 4 S+ 0 0 11 1,-0.3 4,-0.4 2,-0.2 3,-0.4 0.902 107.4 41.0 -51.8 -45.6 21.8 -12.8 7.7 62 62 A N T >4 S+ 0 0 119 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.771 104.0 68.9 -74.4 -26.6 23.6 -10.5 10.1 63 63 A F T >> S+ 0 0 14 -4,-0.4 3,-1.3 1,-0.2 4,-1.2 0.834 85.0 71.0 -60.6 -33.0 22.2 -7.5 8.2 64 64 A I H 3X S+ 0 0 2 -4,-1.4 4,-2.9 -3,-0.4 5,-0.4 0.898 82.2 71.0 -50.2 -45.8 18.8 -8.4 9.6 65 65 A D H <> S+ 0 0 100 -3,-0.8 4,-0.5 -4,-0.4 -1,-0.3 0.858 100.4 47.0 -38.4 -47.2 19.9 -7.3 13.1 66 66 A F H X> S+ 0 0 35 -3,-1.3 4,-2.1 -4,-0.5 3,-0.7 0.931 113.3 47.6 -63.8 -47.2 19.8 -3.8 11.8 67 67 A I H 3X S+ 0 0 6 -4,-1.2 4,-0.8 1,-0.3 3,-0.3 0.958 110.2 50.1 -59.0 -54.1 16.3 -4.2 10.2 68 68 A K H 3< S+ 0 0 83 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.635 112.3 53.2 -60.7 -12.0 14.8 -5.9 13.2 69 69 A E H << S+ 0 0 161 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.844 123.9 22.0 -90.4 -40.9 16.2 -2.9 15.1 70 70 A N H < S+ 0 0 50 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.1 0.010 139.3 28.0-115.1 25.6 14.7 -0.1 13.0 71 71 A S < + 0 0 21 -4,-0.8 3,-0.2 -5,-0.1 -1,-0.2 -0.140 57.2 160.5 176.1 73.4 11.9 -2.2 11.6 72 72 A P S S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.890 84.5 50.0 -69.7 -41.4 10.5 -5.1 13.6 73 73 A D S S+ 0 0 83 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.611 94.5 102.2 -73.2 -11.7 7.2 -5.3 11.8 74 74 A S - 0 0 6 -3,-0.2 2,-0.4 -7,-0.2 -26,-0.2 -0.373 64.0-145.3 -73.1 152.2 9.2 -5.3 8.5 75 75 A V E -d 48 0B 17 -28,-1.8 -26,-2.1 -29,-0.2 2,-0.4 -0.980 15.5-175.6-125.4 125.6 9.8 -8.5 6.6 76 76 A V E -de 49 96B 2 19,-1.4 21,-2.0 -2,-0.4 2,-0.5 -0.916 16.5-139.7-120.8 146.6 12.9 -9.4 4.7 77 77 A I E -d 50 0B 4 -28,-2.4 -26,-2.5 -2,-0.4 2,-0.5 -0.904 11.5-150.6-108.6 128.3 13.8 -12.4 2.5 78 78 A V E +de 51 99B 1 20,-0.9 22,-1.0 -2,-0.5 2,-0.4 -0.849 19.4 175.4-100.5 125.8 17.2 -14.0 2.6 79 79 A I E +de 52 100B 4 -28,-0.6 -26,-2.6 -2,-0.5 -25,-0.4 -0.983 3.9 168.3-131.8 141.5 18.5 -15.8 -0.5 80 80 A T E - e 0 101B 2 20,-0.7 22,-0.6 -2,-0.4 3,-0.2 -0.994 30.8-151.6-151.9 144.3 21.8 -17.4 -1.3 81 81 A G S S+ 0 0 30 -2,-0.3 20,-0.1 20,-0.3 -1,-0.1 0.686 91.4 74.0 -87.9 -20.1 23.2 -19.6 -4.1 82 82 A H S S- 0 0 114 19,-0.0 -1,-0.2 2,-0.0 19,-0.1 0.807 92.2-150.1 -62.1 -29.6 25.8 -21.3 -1.8 83 83 A G + 0 0 27 -3,-0.2 2,-0.2 1,-0.1 -2,-0.1 0.550 27.3 165.9 65.8 138.6 22.9 -23.2 -0.3 84 84 A S > - 0 0 46 -4,-0.1 4,-1.3 1,-0.1 -1,-0.1 -0.591 32.4-154.9 173.5 120.3 23.0 -24.4 3.4 85 85 A V H > S+ 0 0 41 2,-0.2 4,-2.4 -2,-0.2 136,-0.2 0.912 99.3 52.3 -68.6 -43.7 20.3 -25.8 5.7 86 86 A D H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.962 113.3 42.0 -56.8 -56.3 22.2 -24.7 8.9 87 87 A T H > S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.796 111.2 60.2 -62.2 -28.5 22.6 -21.1 7.7 88 88 A A H X S+ 0 0 3 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.948 103.8 47.8 -64.8 -50.6 19.0 -21.2 6.5 89 89 A V H >X S+ 0 0 2 -4,-2.4 3,-2.5 1,-0.2 4,-1.8 0.975 113.7 44.7 -54.3 -63.0 17.6 -21.9 9.9 90 90 A K H 3X S+ 0 0 99 -4,-1.6 4,-0.6 1,-0.3 -1,-0.2 0.756 112.5 56.1 -54.5 -24.2 19.5 -19.2 11.7 91 91 A A H 3X>S+ 0 0 0 -4,-1.0 5,-1.1 -5,-0.3 4,-1.0 0.634 105.8 50.8 -82.9 -15.4 18.5 -17.0 8.8 92 92 A I H <<5S+ 0 0 16 -3,-2.5 -2,-0.2 -4,-0.8 -1,-0.2 0.826 110.6 45.4 -89.0 -37.3 14.8 -17.7 9.3 93 93 A K H <5S+ 0 0 93 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.647 110.1 59.9 -79.9 -15.8 14.7 -16.9 13.1 94 94 A K H <5S- 0 0 80 -4,-0.6 -2,-0.2 -5,-0.3 -3,-0.1 0.985 133.9 -61.0 -74.9 -65.2 16.7 -13.7 12.4 95 95 A G T <5S+ 0 0 8 -4,-1.0 -19,-1.4 -19,-0.1 2,-0.6 0.243 92.3 123.3-173.2 19.9 14.5 -11.9 10.0 96 96 A A E < -e 76 0B 4 -5,-1.1 -19,-0.3 1,-0.2 3,-0.1 -0.852 37.4-168.4 -99.6 117.6 14.0 -14.0 6.9 97 97 A Y E S+ 0 0 32 -21,-2.0 2,-0.3 -2,-0.6 -20,-0.2 0.827 78.3 5.8 -70.4 -32.3 10.4 -14.8 6.0 98 98 A E E - 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