==== 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 25-MAR-09 3GRA . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, ARAC FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.BAGARIA,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RE . 345 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.8 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 . 2 0.6 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-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 . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 30.4 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+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 1 0 0 2 1 0 0 3 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 29 A P 0 0 93 0, 0.0 2,-0.5 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 113.2 31.0 24.1 10.6 2 30 A Y E -a 35 0A 35 32,-2.7 34,-2.2 31,-0.1 2,-0.6 -0.633 360.0-146.5 -75.2 121.4 28.9 21.1 9.7 3 31 A R E +a 36 0A 45 -2,-0.5 66,-2.4 32,-0.2 67,-1.7 -0.823 23.1 172.0 -96.7 119.0 25.3 22.5 9.2 4 32 A V E -ab 37 70A 0 32,-2.8 34,-0.8 -2,-0.6 2,-0.3 -0.977 9.8-169.2-131.3 124.8 22.4 20.2 10.1 5 33 A D E -ab 38 71A 7 65,-2.3 67,-3.0 -2,-0.4 2,-0.5 -0.843 11.1-146.0-110.3 148.2 18.7 21.2 10.2 6 34 A F E -ab 39 72A 0 32,-2.0 34,-3.2 -2,-0.3 2,-0.8 -0.943 4.6-148.6-118.3 117.7 15.9 19.1 11.7 7 35 A I E -ab 40 73A 0 65,-3.3 67,-2.9 -2,-0.5 2,-0.7 -0.744 18.2-152.9 -84.4 112.6 12.4 19.2 10.2 8 36 A L E - b 0 74A 4 32,-3.0 34,-0.4 -2,-0.8 2,-0.2 -0.798 10.3-162.9 -92.0 114.4 10.0 18.6 13.1 9 37 A L > - 0 0 2 65,-2.0 3,-1.5 -2,-0.7 70,-0.1 -0.539 39.3 -74.9 -90.3 160.5 6.8 17.0 12.1 10 38 A E T 3 S+ 0 0 81 1,-0.3 39,-0.2 -2,-0.2 66,-0.2 -0.300 120.3 12.5 -58.1 135.5 3.7 17.0 14.3 11 39 A H T 3 S+ 0 0 49 37,-2.4 67,-0.5 1,-0.2 68,-0.4 0.759 89.5 176.2 68.1 28.8 4.0 14.6 17.2 12 40 A F B < -g 49 0B 0 -3,-1.5 38,-2.1 36,-0.9 2,-0.5 -0.320 44.2 -95.4 -64.6 143.3 7.7 14.1 16.6 13 41 A S > - 0 0 4 62,-3.2 4,-1.9 1,-0.2 5,-0.1 -0.459 37.1-163.7 -60.0 112.1 9.6 11.9 19.1 14 42 A X H > S+ 0 0 0 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.879 86.7 53.2 -69.1 -36.0 10.9 14.6 21.5 15 43 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.818 107.9 51.1 -67.2 -34.3 13.5 12.2 23.0 16 44 A S H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.1 -2,-0.2 0.953 115.2 42.7 -67.9 -48.1 14.8 11.3 19.6 17 45 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.923 115.2 47.0 -64.6 -47.5 15.2 15.0 18.7 18 46 A T H X S+ 0 0 9 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.851 112.1 49.4 -67.5 -35.4 16.7 16.2 22.1 19 47 A V H X S+ 0 0 30 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.924 110.8 49.7 -71.1 -40.4 19.2 13.4 22.4 20 48 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.943 113.4 47.4 -60.1 -44.7 20.5 13.9 18.8 21 49 A X H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.857 105.3 59.1 -63.0 -38.7 20.8 17.7 19.6 22 50 A D H X S+ 0 0 36 -4,-2.1 4,-3.7 1,-0.2 5,-0.3 0.960 104.9 50.8 -55.2 -50.8 22.6 17.0 22.9 23 51 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.895 113.3 44.2 -53.0 -47.1 25.3 15.1 20.9 24 52 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 11,-0.2 0.827 117.6 44.4 -71.4 -32.6 25.8 18.0 18.5 25 53 A V H X S+ 0 0 30 -4,-2.7 4,-1.8 2,-0.2 3,-0.4 0.957 113.6 49.3 -75.2 -49.8 25.7 20.7 21.2 26 54 A T H X S+ 0 0 10 -4,-3.7 4,-1.2 -5,-0.3 5,-0.2 0.856 106.4 58.4 -55.7 -35.7 28.0 18.7 23.5 27 55 A A H >X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 3,-0.7 0.931 106.8 47.3 -59.6 -44.8 30.3 18.2 20.6 28 56 A N H 3< S+ 0 0 35 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.819 101.6 65.6 -64.1 -33.1 30.6 22.0 20.3 29 57 A L H 3< S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.2 29.2 -58.2 -35.0 31.2 22.2 24.1 30 58 A L H << S+ 0 0 90 -4,-1.2 2,-0.4 -3,-0.7 -2,-0.2 0.692 134.5 30.4 -97.7 -26.8 34.5 20.4 23.5 31 59 A R S >< S- 0 0 99 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.3 -0.894 90.6-124.2-138.9 105.6 35.2 21.6 20.0 32 60 A A T 3 S- 0 0 68 -2,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.063 82.1 -2.9 -51.8 145.6 33.9 25.1 19.1 33 61 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.787 79.5 138.6 37.5 47.5 31.6 25.6 16.0 34 62 A S S < S+ 0 0 0 -3,-0.9 -32,-2.7 1,-0.2 2,-0.3 0.846 72.7 23.0 -80.6 -33.8 31.8 21.9 15.0 35 63 A F E -a 2 0A 6 -11,-0.2 2,-0.4 -34,-0.2 -1,-0.2 -0.982 56.6-166.0-137.5 146.6 28.0 22.1 14.2 36 64 A Q E +a 3 0A 85 -34,-2.2 -32,-2.8 -2,-0.3 2,-0.3 -0.999 25.8 172.9-127.0 127.3 25.3 24.7 13.3 37 65 A F E -a 4 0A 46 -2,-0.4 -32,-0.2 -34,-0.2 -34,-0.0 -0.951 17.2-169.2-139.8 157.8 21.7 23.5 13.6 38 66 A T E -a 5 0A 36 -34,-0.8 -32,-2.0 -2,-0.3 2,-0.3 -0.982 24.7-126.4-149.3 131.5 18.1 24.8 13.4 39 67 A P E -a 6 0A 20 0, 0.0 19,-2.6 0, 0.0 2,-0.3 -0.633 36.4-161.9 -76.9 134.5 14.7 23.3 14.2 40 68 A L E -ac 7 58A 7 -34,-3.2 -32,-3.0 -2,-0.3 2,-0.4 -0.921 13.4-160.6-122.9 147.6 12.5 23.7 11.2 41 69 A S E - c 0 59A 5 17,-2.6 19,-3.2 -2,-0.3 3,-0.3 -0.975 16.7-147.2-125.8 138.7 8.7 23.6 10.6 42 70 A L S S+ 0 0 19 -34,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.893 95.7 14.6 -70.3 -40.8 6.9 23.0 7.4 43 71 A D S S+ 0 0 117 3,-0.1 -1,-0.3 16,-0.1 2,-0.2 -0.853 120.4 1.9-140.2 104.5 4.0 25.2 8.4 44 72 A G S S- 0 0 25 -2,-0.4 -3,-0.2 -3,-0.3 16,-0.2 -0.557 73.5 -91.6 118.8 177.4 4.3 27.6 11.4 45 73 A D S S+ 0 0 99 -2,-0.2 12,-1.7 14,-0.1 2,-0.3 0.135 104.4 59.6-115.3 13.5 6.8 28.7 14.0 46 74 A R E -H 56 0C 120 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.996 60.1-168.7-146.1 137.7 5.7 26.1 16.5 47 75 A V E -H 55 0C 9 8,-1.8 8,-2.2 -2,-0.3 2,-0.4 -0.992 19.3-132.5-130.9 134.9 5.6 22.3 16.4 48 76 A L E -H 54 0C 51 -2,-0.4 -37,-2.4 6,-0.2 -36,-0.9 -0.697 22.9-153.8 -86.7 134.6 3.9 20.0 18.8 49 77 A S B > -g 12 0B 1 4,-2.9 3,-1.9 -2,-0.4 -36,-0.2 -0.494 34.1 -97.8-100.4 174.3 5.9 17.0 20.1 50 78 A D T 3 S+ 0 0 62 -38,-2.1 -37,-0.1 1,-0.3 -1,-0.0 0.488 121.3 62.9 -70.6 -3.5 4.8 13.6 21.4 51 79 A L T 3 S- 0 0 5 2,-0.3 -1,-0.3 -39,-0.3 3,-0.1 0.307 117.7-108.2-102.4 4.7 5.1 15.0 24.9 52 80 A G S < S+ 0 0 50 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.329 82.9 122.4 85.3 -10.3 2.4 17.7 24.4 53 81 A L - 0 0 7 -5,-0.1 -4,-2.9 171,-0.0 2,-0.4 -0.608 54.6-140.5 -88.4 147.7 5.0 20.4 24.4 54 82 A E E -H 48 0C 58 188,-0.4 188,-2.2 -2,-0.2 2,-0.4 -0.869 11.2-155.1-107.2 139.0 5.5 22.8 21.5 55 83 A L E -HI 47 241C 0 -8,-2.2 -8,-1.8 -2,-0.4 2,-0.3 -0.897 21.8-117.1-111.6 143.7 9.0 23.9 20.4 56 84 A V E +H 46 0C 27 184,-3.0 184,-0.4 -2,-0.4 2,-0.3 -0.602 44.0 172.1 -78.0 138.1 9.7 27.2 18.6 57 85 A A - 0 0 7 -12,-1.7 2,-0.3 -2,-0.3 -17,-0.2 -0.969 35.4-105.3-144.9 158.7 11.1 26.5 15.1 58 86 A T E -c 40 0A 80 -19,-2.6 -17,-2.6 -2,-0.3 2,-0.4 -0.651 41.1-110.7 -84.2 141.3 11.9 28.5 11.9 59 87 A E E -c 41 0A 114 -2,-0.3 -17,-0.2 -19,-0.2 -14,-0.1 -0.600 44.5-106.2 -72.2 127.1 9.5 28.1 9.1 60 88 A L - 0 0 29 -19,-3.2 2,-0.5 -2,-0.4 -1,-0.1 -0.258 32.0-159.4 -58.8 136.4 11.3 26.1 6.4 61 89 A S - 0 0 56 1,-0.1 4,-0.1 -3,-0.0 -1,-0.1 -0.987 16.2-143.9-120.6 120.2 12.5 28.1 3.4 62 90 A A S > S+ 0 0 80 -2,-0.5 3,-0.7 1,-0.2 4,-0.2 0.863 104.3 47.3 -49.4 -38.2 13.1 26.1 0.3 63 91 A A G > S+ 0 0 71 1,-0.2 3,-2.6 2,-0.1 2,-0.3 0.950 101.1 61.4 -69.6 -52.4 16.0 28.5 -0.4 64 92 A A G 3 S+ 0 0 64 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.222 90.2 72.0 -63.8 17.3 17.6 28.5 3.1 65 93 A L G X S+ 0 0 6 -3,-0.7 3,-2.1 -2,-0.3 -1,-0.3 0.573 74.8 86.3-102.8 -15.9 18.3 24.7 2.8 66 94 A K T < S+ 0 0 134 -3,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.770 84.6 52.7 -53.8 -34.6 21.0 25.5 0.2 67 95 A E T 3 S+ 0 0 133 -4,-0.2 -1,-0.3 2,-0.0 2,-0.3 0.239 90.2 115.9 -90.4 15.6 23.6 26.0 2.9 68 96 A L < - 0 0 9 -3,-2.1 -64,-0.2 1,-0.1 3,-0.1 -0.613 44.3-175.2 -92.2 144.3 22.9 22.6 4.5 69 97 A D S S+ 0 0 69 -66,-2.4 30,-2.2 1,-0.3 2,-0.3 0.687 83.6 18.3 -99.0 -28.2 25.1 19.6 4.8 70 98 A L E -bd 4 99A 0 -67,-1.7 -65,-2.3 28,-0.2 2,-0.6 -0.937 56.9-167.4-153.5 125.7 22.3 17.5 6.4 71 99 A L E -bd 5 100A 0 28,-1.6 30,-2.4 -2,-0.3 2,-0.5 -0.955 17.7-163.6-112.0 119.5 18.5 17.7 6.5 72 100 A V E -bd 6 101A 1 -67,-3.0 -65,-3.3 -2,-0.6 2,-0.7 -0.899 11.6-145.6-110.0 129.6 16.9 15.4 9.0 73 101 A V E -bd 7 102A 0 28,-3.1 30,-2.3 -2,-0.5 2,-0.6 -0.825 16.6-158.7 -94.5 117.8 13.2 14.4 9.1 74 102 A C E +bd 8 103A 2 -67,-2.9 -65,-2.0 -2,-0.7 2,-0.1 -0.873 21.0 161.2-103.1 118.3 12.0 13.9 12.6 75 103 A G - 0 0 1 28,-1.8 -62,-3.2 -2,-0.6 2,-0.3 -0.387 16.5-159.4-116.6-164.6 8.9 11.9 13.1 76 104 A G > - 0 0 0 -64,-0.3 3,-0.9 -66,-0.2 -64,-0.1 -0.963 40.6 -80.1-167.9 174.8 7.2 10.0 15.9 77 105 A L T 3 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 -65,-0.1 0.899 129.0 34.4 -53.3 -50.2 4.7 7.3 16.7 78 106 A R T 3 S+ 0 0 162 -67,-0.5 -1,-0.3 -3,-0.1 -66,-0.1 0.401 86.8 130.8 -89.9 2.7 1.7 9.4 16.2 79 107 A T < - 0 0 6 -3,-0.9 -68,-0.1 -68,-0.4 2,-0.1 -0.362 63.4-118.8 -60.4 122.0 3.2 11.5 13.4 80 108 A P - 0 0 38 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.385 16.0-129.9 -64.7 137.6 0.8 11.6 10.4 81 109 A L S S+ 0 0 69 -2,-0.1 2,-0.1 -3,-0.0 -2,-0.0 -0.504 77.4 86.3 -88.4 68.6 2.2 10.0 7.3 82 110 A K + 0 0 103 -2,-1.6 4,-0.1 1,-0.1 -1,-0.0 0.096 20.4 123.3-128.9-119.9 1.4 12.9 4.9 83 111 A Y > - 0 0 16 1,-0.1 3,-2.3 2,-0.1 4,-0.3 0.924 35.8-176.1 51.0 53.6 3.4 16.0 4.1 84 112 A P T > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.742 73.6 72.2 -51.2 -27.5 3.4 15.2 0.3 85 113 A E T 3> S+ 0 0 82 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.788 80.4 73.7 -60.3 -28.0 5.6 18.3 -0.2 86 114 A L H <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.2 5,-0.3 0.770 83.3 71.4 -60.2 -24.3 8.5 16.4 1.4 87 115 A D H <> S+ 0 0 48 -3,-1.5 4,-1.6 -4,-0.3 -1,-0.2 0.946 107.8 27.4 -59.9 -56.9 8.9 14.3 -1.8 88 116 A R H > S+ 0 0 172 -4,-0.4 4,-2.9 -3,-0.4 5,-0.2 0.821 119.2 60.3 -76.9 -28.2 10.3 16.8 -4.2 89 117 A L H X S+ 0 0 24 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.930 111.9 37.7 -61.7 -45.4 11.9 18.8 -1.4 90 118 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.850 114.0 56.3 -75.3 -33.3 14.0 15.8 -0.3 91 119 A N H X S+ 0 0 80 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.939 110.6 44.6 -62.4 -47.1 14.6 14.8 -3.9 92 120 A D H X S+ 0 0 100 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.847 111.3 52.7 -66.2 -35.3 16.0 18.2 -4.7 93 121 A C H X>S+ 0 0 8 -4,-1.6 5,-2.1 -5,-0.2 4,-0.6 0.877 110.9 48.5 -67.5 -33.9 18.0 18.2 -1.5 94 122 A A H <5S+ 0 0 28 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.853 111.7 48.8 -71.7 -35.4 19.3 14.8 -2.7 95 123 A A H <5S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 104.9 59.2 -69.8 -40.4 20.1 16.3 -6.2 96 124 A H H <5S- 0 0 106 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.668 122.5-104.2 -60.7 -22.7 21.9 19.2 -4.6 97 125 A G T <5 + 0 0 60 -4,-0.6 -3,-0.2 -3,-0.4 -2,-0.1 0.464 69.7 148.8 109.2 4.6 24.3 16.9 -2.9 98 126 A X < - 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