==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTIONAL REGULATORY PROTEIN 23-JUL-99 1QKK . COMPND 2 MOLECULE: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR M.G.MEYER,S.PARK,L.ZERINGUE,M.STALEY,M.MCKINSTRY, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 15.1 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 . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 1 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 5 A P 0 0 79 0, 0.0 25,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.1 22.8 12.5 140.6 2 6 A S E -a 26 0A 32 43,-0.3 45,-2.0 23,-0.2 2,-0.4 -0.883 360.0-169.5-122.2 152.0 25.4 15.1 139.3 3 7 A V E -ab 27 47A 0 23,-2.3 25,-2.5 -2,-0.3 2,-0.7 -0.999 17.8-150.0-142.1 136.1 27.6 15.3 136.2 4 8 A F E -ab 28 48A 23 43,-2.4 45,-2.8 -2,-0.4 2,-0.5 -0.940 27.8-162.4-102.2 116.4 30.4 17.6 135.2 5 9 A L E -ab 29 49A 0 23,-3.0 25,-3.3 -2,-0.7 2,-0.4 -0.908 10.5-176.9-109.4 126.2 30.1 17.7 131.4 6 10 A I E +ab 30 50A 1 43,-2.9 45,-2.0 -2,-0.5 2,-0.3 -0.974 17.4 137.4-127.3 124.4 33.0 18.9 129.1 7 11 A D - 0 0 3 23,-1.7 47,-0.1 -2,-0.4 6,-0.1 -0.966 44.2-142.6-160.5 145.9 33.0 19.3 125.4 8 12 A D S S+ 0 0 88 45,-0.4 2,-1.0 -2,-0.3 3,-0.1 0.717 83.5 88.2 -82.6 -22.3 34.3 21.8 122.9 9 13 A D > - 0 0 80 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.686 64.6-162.4 -81.5 103.2 31.3 21.5 120.6 10 14 A R H > S+ 0 0 138 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.879 87.5 46.4 -51.8 -47.0 28.8 24.0 122.0 11 15 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 113.6 47.1 -66.3 -44.6 25.8 22.5 120.3 12 16 A L H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.902 111.0 53.1 -63.3 -41.5 26.6 18.9 121.2 13 17 A R H X S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.897 109.5 48.0 -61.5 -41.4 27.3 20.0 124.8 14 18 A K H X S+ 0 0 60 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.903 112.4 48.4 -67.2 -40.1 23.9 21.7 125.1 15 19 A A H X S+ 0 0 44 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.921 113.4 48.0 -64.8 -43.3 22.1 18.6 123.6 16 20 A M H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.904 111.1 50.6 -63.6 -43.1 24.0 16.4 126.0 17 21 A Q H X S+ 0 0 27 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.912 111.0 48.3 -62.2 -43.5 23.1 18.6 129.0 18 22 A Q H X S+ 0 0 112 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 111.7 50.0 -63.3 -44.3 19.4 18.7 128.1 19 23 A T H X S+ 0 0 35 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.927 113.5 45.2 -60.1 -47.4 19.3 14.9 127.7 20 24 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.6 0.913 112.7 50.5 -65.2 -41.9 21.0 14.3 131.0 21 25 A E H ><5S+ 0 0 92 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.894 109.2 50.7 -63.7 -38.7 18.8 16.9 132.8 22 26 A L H 3<5S+ 0 0 157 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.665 106.3 57.4 -72.3 -14.6 15.7 15.3 131.4 23 27 A A T <<5S- 0 0 21 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.297 130.5 -96.7 -94.9 5.7 17.1 12.0 132.7 24 28 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.501 79.2 135.0 95.4 4.9 17.2 13.5 136.2 25 29 A F < - 0 0 8 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.3 -0.585 53.4-133.2 -89.4 150.7 20.8 14.6 136.4 26 30 A T E -a 2 0A 99 -25,-2.8 -23,-2.3 -2,-0.2 2,-0.4 -0.914 35.6-157.5 -98.1 118.8 22.1 17.9 137.7 27 31 A V E -a 3 0A 14 -2,-0.7 2,-0.5 -25,-0.2 -23,-0.2 -0.858 25.3-171.4-112.2 137.2 24.5 19.1 135.1 28 32 A S E -a 4 0A 50 -25,-2.5 -23,-3.0 -2,-0.4 2,-0.4 -0.985 22.6-159.6-118.6 113.0 27.5 21.5 135.2 29 33 A S E -a 5 0A 40 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.816 9.7-174.5-102.8 138.5 28.7 22.1 131.7 30 34 A F E -a 6 0A 30 -25,-3.3 -23,-1.7 -2,-0.4 3,-0.1 -0.950 29.4-156.5-131.3 149.6 32.2 23.4 130.8 31 35 A A S S+ 0 0 47 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.1 0.444 88.4 52.2 -97.4 -5.2 34.0 24.4 127.6 32 36 A S > - 0 0 45 1,-0.1 4,-1.7 22,-0.1 -1,-0.1 -0.993 66.6-149.1-137.5 133.3 37.3 23.8 129.3 33 37 A A H > S+ 0 0 2 24,-0.5 4,-2.8 -2,-0.4 5,-0.2 0.852 101.2 60.3 -64.2 -33.6 38.6 20.7 131.1 34 38 A T H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 104.9 46.7 -60.9 -45.2 40.7 23.1 133.3 35 39 A E H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.898 113.4 49.8 -64.8 -39.8 37.7 24.9 134.6 36 40 A A H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 4,-0.3 0.937 106.9 53.9 -63.8 -47.9 35.9 21.6 135.3 37 41 A L H >< S+ 0 0 33 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.843 97.2 67.2 -56.0 -35.4 38.9 20.1 137.2 38 42 A A H 3< S+ 0 0 87 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.785 102.5 46.4 -57.9 -28.4 38.9 23.1 139.4 39 43 A G T << S+ 0 0 46 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.3 0.432 95.9 97.7 -95.8 1.9 35.6 22.1 140.9 40 44 A L < + 0 0 14 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.0 -0.654 39.2 150.2 -96.1 148.4 36.5 18.4 141.4 41 45 A S > - 0 0 53 -2,-0.3 3,-1.8 29,-0.0 29,-0.1 -0.942 61.9 -90.4-159.2 171.4 37.7 16.7 144.6 42 46 A A T 3 S+ 0 0 39 -2,-0.3 -2,-0.0 1,-0.3 30,-0.0 0.645 124.5 61.7 -66.4 -11.8 37.5 13.3 146.2 43 47 A D T 3 S+ 0 0 134 2,-0.0 -1,-0.3 80,-0.0 2,-0.2 0.555 72.7 119.6 -89.4 -10.9 34.3 14.5 147.8 44 48 A F < - 0 0 28 -3,-1.8 -4,-0.1 1,-0.2 -5,-0.0 -0.385 49.7-160.9 -58.9 124.0 32.6 15.0 144.5 45 49 A A + 0 0 64 -2,-0.2 -43,-0.3 2,-0.1 -1,-0.2 0.363 64.0 63.9 -90.8 5.8 29.5 12.8 144.5 46 50 A G S S- 0 0 0 -45,-0.1 2,-0.3 1,-0.1 -43,-0.2 -0.219 78.4-102.0-112.6-158.2 29.0 12.8 140.8 47 51 A I E -b 3 0A 0 -45,-2.0 -43,-2.4 26,-0.1 2,-0.4 -0.795 20.7-126.3-125.7 168.7 30.6 11.7 137.6 48 52 A V E -bc 4 75A 1 26,-2.6 28,-2.9 -2,-0.3 2,-0.5 -0.959 15.6-172.5-120.1 135.3 32.6 13.3 134.8 49 53 A I E +bc 5 76A 0 -45,-2.8 -43,-2.9 -2,-0.4 2,-0.4 -0.979 20.1 168.3-126.6 114.4 31.8 13.1 131.1 50 54 A S E -bc 6 77A 0 26,-2.5 28,-2.7 -2,-0.5 -43,-0.2 -0.977 38.5-116.4-134.6 143.5 34.4 14.6 128.8 51 55 A D E - c 0 78A 7 -45,-2.0 28,-0.2 -2,-0.4 8,-0.0 -0.457 27.3-132.4 -68.2 147.3 35.3 14.6 125.2 52 56 A I S S+ 0 0 7 26,-2.5 7,-1.8 7,-0.1 8,-0.7 0.793 91.6 56.4 -73.8 -27.1 38.7 12.9 124.6 53 57 A R + 0 0 157 25,-0.4 -45,-0.4 5,-0.2 -2,-0.1 -0.901 61.2 158.5-110.8 134.3 39.8 15.8 122.4 54 58 A M - 0 0 20 -2,-0.4 -22,-0.1 2,-0.3 4,-0.0 -0.981 47.2-120.4-146.8 147.6 39.8 19.5 123.5 55 59 A P S S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -23,-0.1 0.767 105.0 21.4 -63.0 -24.0 41.8 22.5 122.2 56 60 A G S S+ 0 0 58 1,-0.4 2,-0.4 -3,-0.0 -2,-0.3 0.361 132.5 8.5-108.3-118.4 43.5 23.0 125.5 57 61 A M S S- 0 0 45 -4,-0.1 -24,-0.5 1,-0.1 -1,-0.4 -0.546 85.6-139.8 -65.5 119.7 43.7 20.3 128.3 58 62 A D > - 0 0 62 -2,-0.4 4,-2.0 -3,-0.1 -5,-0.2 -0.221 21.3 -97.6 -79.0 173.9 42.5 17.2 126.4 59 63 A G H > S+ 0 0 0 -7,-1.8 4,-1.9 1,-0.2 -6,-0.2 0.796 121.6 49.0 -61.9 -33.8 40.3 14.4 127.8 60 64 A L H > S+ 0 0 28 -8,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.830 108.7 53.8 -76.8 -30.8 43.1 12.0 128.7 61 65 A A H > S+ 0 0 17 -9,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.921 111.1 46.2 -66.5 -42.3 45.0 14.8 130.5 62 66 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.898 110.2 55.1 -65.1 -40.5 41.9 15.5 132.6 63 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.945 106.6 49.0 -57.7 -50.4 41.5 11.8 133.2 64 68 A R H X S+ 0 0 147 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.877 111.2 51.0 -58.8 -36.7 45.0 11.4 134.6 65 69 A K H X S+ 0 0 115 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.905 112.1 46.3 -66.9 -41.1 44.4 14.4 136.9 66 70 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.898 106.6 58.5 -67.8 -40.2 41.1 12.8 138.1 67 71 A L H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 107.3 48.5 -56.1 -39.9 42.8 9.5 138.6 68 72 A A H < S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 112.8 47.2 -69.3 -36.6 45.3 11.2 141.0 69 73 A L H < S- 0 0 80 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.923 139.9 -21.0 -70.7 -46.5 42.5 12.9 142.9 70 74 A D >< - 0 0 7 -4,-3.0 3,-2.0 3,-0.1 -1,-0.2 -0.671 50.5-156.0-168.1 105.6 40.3 9.8 143.3 71 75 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.702 97.0 59.9 -60.4 -16.7 40.5 6.7 141.1 72 76 A D T 3 S+ 0 0 62 -6,-0.1 50,-0.1 -5,-0.1 -5,-0.1 0.236 74.7 100.9 -97.3 14.0 36.9 5.9 142.0 73 77 A L S < S- 0 0 5 -3,-2.0 -3,-0.1 -7,-0.2 23,-0.1 -0.880 81.8-125.6 -96.4 103.3 35.5 9.2 140.6 74 78 A P - 0 0 3 0, 0.0 -26,-2.6 0, 0.0 2,-0.5 -0.251 25.4-166.5 -58.4 131.0 34.1 7.8 137.3 75 79 A M E -c 48 0A 3 19,-0.2 21,-1.6 -28,-0.2 22,-1.2 -0.981 2.0-164.9-119.0 125.4 35.2 9.4 134.0 76 80 A I E -cd 49 97A 0 -28,-2.9 -26,-2.5 -2,-0.5 2,-0.4 -0.957 14.1-145.6-110.7 125.7 33.3 8.6 130.8 77 81 A L E -cd 50 98A 0 20,-2.2 22,-2.7 -2,-0.5 2,-0.6 -0.798 0.9-149.8 -95.6 131.8 35.1 9.6 127.6 78 82 A V E +cd 51 99A 0 -28,-2.7 -26,-2.5 -2,-0.4 -25,-0.4 -0.884 31.2 174.8 -98.2 125.4 33.2 10.9 124.6 79 83 A T E - d 0 100A 0 20,-2.5 22,-2.9 -2,-0.6 2,-0.1 -0.952 34.2-123.2-139.3 152.8 35.1 9.9 121.4 80 84 A G > - 0 0 24 -2,-0.3 3,-1.1 20,-0.2 4,-0.4 -0.462 46.1-101.1 -81.7 164.6 34.9 10.0 117.6 81 85 A H G > S+ 0 0 152 20,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.890 119.9 60.9 -53.6 -44.0 35.4 6.6 115.9 82 86 A G G 3 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.786 106.3 44.8 -56.4 -31.1 39.0 7.4 115.1 83 87 A D G X> S+ 0 0 20 -3,-1.1 4,-1.8 1,-0.2 3,-0.7 0.354 78.0 106.3 -97.5 6.0 40.0 7.7 118.7 84 88 A I H <> S+ 0 0 41 -3,-1.6 4,-2.9 -4,-0.4 5,-0.2 0.906 76.9 56.6 -52.1 -44.4 38.2 4.6 120.1 85 89 A P H 3> S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.881 107.6 49.2 -56.1 -36.9 41.5 2.7 120.5 86 90 A M H <> S+ 0 0 97 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.871 111.2 49.4 -68.7 -36.5 42.8 5.5 122.7 87 91 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.891 108.8 52.5 -69.0 -39.6 39.6 5.4 124.7 88 92 A V H X S+ 0 0 57 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.902 109.9 48.3 -63.0 -40.8 39.9 1.6 125.1 89 93 A Q H X S+ 0 0 88 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.893 108.1 55.6 -66.5 -37.4 43.4 2.0 126.4 90 94 A A H <>S+ 0 0 3 -4,-1.9 5,-2.8 1,-0.2 4,-0.4 0.888 106.0 51.0 -61.6 -39.1 42.2 4.7 128.8 91 95 A I H ><5S+ 0 0 55 -4,-2.0 3,-1.4 3,-0.2 -1,-0.2 0.913 107.9 51.6 -65.2 -41.4 39.7 2.3 130.2 92 96 A Q H 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 109.8 52.8 -62.0 -30.1 42.4 -0.3 130.7 93 97 A D T 3<5S- 0 0 93 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.514 138.3 -78.5 -83.4 -6.5 44.3 2.6 132.5 94 98 A G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 -4,-0.4 -19,-0.2 0.310 83.3 136.6 130.1 -12.5 41.4 3.3 134.9 95 99 A A < - 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