==== 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 DNA BINDING PROTEIN 16-FEB-09 3GA8 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR MQSA (YGIT/B30 . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR B.L.BROWN,J.M.ARRUDA,W.PETI,R.PAGE . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 62.7 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 . 18 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 1 1.5 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 . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 29.9 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+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 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 134 0, 0.0 10,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 150.8 5.6 -10.8 18.8 2 2 A K B -A 10 0A 86 8,-0.2 8,-0.2 1,-0.1 7,-0.1 -0.587 360.0 -95.8 -80.3 144.4 8.2 -10.4 16.1 3 3 A C > - 0 0 1 6,-2.9 4,-1.5 -2,-0.2 -1,-0.1 -0.424 27.4-148.8 -61.3 126.7 6.9 -10.1 12.5 4 4 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.376 93.2 44.3 -80.5 3.1 7.0 -13.5 10.8 5 5 A V T 4 S+ 0 0 80 4,-0.1 -2,-0.0 37,-0.0 -3,-0.0 0.730 126.7 22.2-110.4 -47.3 7.7 -12.0 7.4 6 6 A C T 4 S- 0 0 31 3,-0.1 -3,-0.0 36,-0.0 -4,-0.0 0.580 86.4-146.1-101.3 -12.2 10.4 -9.3 8.0 7 7 A H S < S+ 0 0 142 -4,-1.5 -5,-0.1 1,-0.2 3,-0.1 0.672 83.2 61.5 58.9 20.5 11.8 -10.7 11.3 8 8 A Q S S+ 0 0 137 1,-0.0 -1,-0.2 -5,-0.0 0, 0.0 0.481 79.7 82.0-136.4 -42.4 12.6 -7.3 12.8 9 9 A G S S- 0 0 5 -7,-0.1 -6,-2.9 1,-0.1 2,-0.3 -0.239 73.9-123.6 -65.5 154.7 9.4 -5.3 13.2 10 10 A E B -A 2 0A 71 -8,-0.2 28,-2.1 -3,-0.1 2,-0.4 -0.797 21.2-121.0 -98.8 145.9 7.0 -5.8 16.1 11 11 A M E -B 37 0B 14 -10,-2.6 2,-0.3 -2,-0.3 26,-0.2 -0.744 32.9-172.2 -88.7 133.8 3.3 -6.7 15.6 12 12 A V E -B 36 0B 65 24,-2.5 24,-3.0 -2,-0.4 2,-0.4 -0.932 27.9-107.4-128.1 149.5 0.8 -4.3 17.1 13 13 A S E +B 35 0B 109 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.587 58.7 136.6 -73.6 127.2 -2.9 -4.4 17.6 14 14 A G E -B 34 0B 29 20,-2.7 20,-2.2 -2,-0.4 2,-0.4 -0.936 52.3-117.6-160.8-179.5 -4.7 -2.0 15.2 15 15 A I E -B 33 0B 108 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -1.000 37.4-177.4-129.7 127.8 -7.4 -1.1 12.8 16 16 A K E -B 32 0B 54 16,-2.2 16,-2.7 -2,-0.4 2,-0.5 -0.947 30.8-130.6-135.5 149.0 -6.4 -0.3 9.2 17 17 A D E - 0 0 89 -2,-0.3 13,-0.2 14,-0.2 -2,-0.0 -0.889 33.2-156.5 -96.5 123.4 -7.9 0.9 5.9 18 18 A I E -B 29 0B 36 11,-2.8 11,-3.0 -2,-0.5 2,-0.1 -0.894 7.8-137.5-114.3 109.5 -6.6 -1.5 3.3 19 19 A P E -B 28 0B 100 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.387 27.1-179.3 -62.2 143.2 -6.5 -0.6 -0.4 20 20 A Y E -B 27 0B 54 7,-2.4 7,-2.7 -2,-0.1 2,-0.4 -0.980 17.3-164.9-149.1 131.1 -7.6 -3.3 -2.8 21 21 A T E +B 26 0B 86 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 12.9 176.7-115.8 128.4 -7.8 -3.5 -6.6 22 22 A F E > S-B 25 0B 41 3,-2.5 3,-2.4 -2,-0.4 -2,-0.0 -0.991 71.7 -15.3-135.7 120.9 -9.9 -6.3 -8.1 23 23 A R T 3 S- 0 0 181 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.873 129.6 -53.6 51.1 39.9 -10.5 -6.6 -11.9 24 24 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.374 111.9 122.6 79.7 -2.2 -9.3 -3.1 -12.3 25 25 A R E < -B 22 0B 95 -3,-2.4 -3,-2.5 2,-0.0 2,-0.4 -0.814 50.9-148.2 -96.1 129.5 -11.8 -1.7 -9.7 26 26 A K E +B 21 0B 180 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.797 26.5 152.3-101.7 137.0 -10.2 0.2 -6.8 27 27 A T E -B 20 0B 47 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.894 38.2-125.3-145.3 175.4 -11.5 0.4 -3.3 28 28 A V E -B 19 0B 67 -2,-0.3 2,-0.8 -9,-0.2 -2,-0.0 -0.987 20.0-141.4-126.9 123.2 -10.4 0.8 0.3 29 29 A L E -B 18 0B 5 -11,-3.0 -11,-2.8 -2,-0.4 3,-0.4 -0.749 32.2-143.2 -84.0 110.5 -11.5 -1.9 2.8 30 30 A K E + 0 0 80 -2,-0.8 -13,-0.2 -13,-0.2 -14,-0.1 -0.536 59.4 2.8 -89.5 142.0 -12.3 0.2 5.8 31 31 A G E + 0 0 33 -2,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.843 69.9 176.7 66.5 43.8 -11.7 -0.5 9.5 32 32 A I E -B 16 0B 7 -16,-2.7 -16,-2.2 -3,-0.4 2,-0.2 -0.712 18.4-147.0 -89.2 111.7 -10.0 -3.9 9.3 33 33 A H E +B 15 0B 106 -2,-0.7 2,-0.3 -18,-0.2 -18,-0.2 -0.571 42.8 107.5 -76.5 144.1 -8.9 -5.2 12.8 34 34 A G E -B 14 0B 3 -20,-2.2 -20,-2.7 -2,-0.2 2,-0.4 -0.971 69.9 -71.4 176.5-179.3 -5.8 -7.2 13.0 35 35 A L E -BC 13 44B 47 9,-2.6 9,-2.6 -2,-0.3 2,-0.4 -0.914 50.4-165.7 -94.3 139.3 -2.2 -7.3 14.2 36 36 A Y E -BC 12 43B 18 -24,-3.0 -24,-2.5 -2,-0.4 2,-0.5 -0.972 22.1-121.2-130.7 139.3 0.1 -5.2 11.9 37 37 A C E > -B 11 0B 3 5,-2.5 4,-1.3 -2,-0.4 -26,-0.2 -0.649 14.0-150.3 -76.6 125.1 3.8 -5.0 11.5 38 38 A V T 4 S+ 0 0 100 -28,-2.1 -1,-0.1 -2,-0.5 -27,-0.1 0.724 94.4 41.5 -64.8 -19.1 5.1 -1.5 12.3 39 39 A H T 4 S+ 0 0 106 -29,-0.2 -1,-0.1 3,-0.1 -28,-0.0 0.915 132.6 10.4 -95.3 -54.9 8.0 -2.1 9.8 40 40 A C T 4 S- 0 0 55 2,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.399 91.6-122.7-111.8 -3.8 6.7 -3.9 6.7 41 41 A E < + 0 0 128 -4,-1.3 -3,-0.1 1,-0.2 -30,-0.0 0.499 50.1 161.8 70.9 7.4 2.9 -3.7 7.3 42 42 A E - 0 0 79 -6,-0.1 -5,-2.5 1,-0.1 2,-0.3 -0.303 29.2-140.2 -48.0 140.7 2.3 -7.5 7.2 43 43 A S E -C 36 0B 46 -7,-0.2 2,-0.4 -32,-0.1 -7,-0.2 -0.851 16.4-164.7-113.1 144.7 -1.1 -8.3 8.8 44 44 A I E -C 35 0B 53 -9,-2.6 -9,-2.6 -2,-0.3 2,-0.4 -0.979 13.6-177.7-124.7 119.5 -2.0 -11.2 11.0 45 45 A M - 0 0 47 -2,-0.4 -11,-0.1 -11,-0.2 -2,-0.0 -0.957 16.0-142.5-120.2 130.4 -5.7 -11.8 11.4 46 46 A N > - 0 0 81 -2,-0.4 4,-3.1 1,-0.0 5,-0.2 -0.079 44.0 -81.2 -77.0-176.0 -7.3 -14.5 13.6 47 47 A K H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 130.3 43.0 -57.7 -49.3 -10.4 -16.4 12.6 48 48 A E H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 117.1 47.3 -66.0 -42.1 -12.9 -13.8 13.6 49 49 A E H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 111.8 51.2 -62.9 -41.7 -10.8 -11.0 12.1 50 50 A S H X S+ 0 0 43 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.899 107.8 52.9 -63.9 -41.0 -10.3 -13.0 8.9 51 51 A D H X S+ 0 0 84 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.928 111.5 45.2 -62.5 -45.6 -14.1 -13.6 8.6 52 52 A A H X S+ 0 0 63 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.931 115.4 47.7 -62.4 -45.7 -14.8 -9.9 8.9 53 53 A F H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.945 112.9 47.4 -61.5 -49.9 -12.1 -9.0 6.4 54 54 A M H X S+ 0 0 64 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.817 104.9 60.2 -67.4 -30.1 -13.1 -11.6 3.9 55 55 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.922 109.5 43.9 -59.5 -43.4 -16.8 -10.6 4.1 56 56 A Q H X S+ 0 0 74 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.925 114.5 49.6 -63.9 -46.4 -15.7 -7.1 2.9 57 57 A V H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.946 114.0 44.5 -59.4 -48.5 -13.4 -8.6 0.3 58 58 A K H X S+ 0 0 82 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.857 109.9 54.2 -71.4 -34.5 -16.1 -10.9 -1.1 59 59 A A H X S+ 0 0 57 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.904 111.7 47.0 -59.8 -43.0 -18.9 -8.3 -1.0 60 60 A F H X S+ 0 0 27 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.955 112.1 48.7 -64.8 -51.1 -16.6 -6.0 -3.1 61 61 A R H X S+ 0 0 89 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.919 110.8 52.0 -55.2 -45.8 -15.7 -8.8 -5.6 62 62 A A H X S+ 0 0 58 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.904 110.0 48.2 -58.1 -43.8 -19.4 -9.7 -6.0 63 63 A S H X S+ 0 0 59 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.932 112.7 48.2 -63.3 -46.3 -20.3 -6.1 -6.7 64 64 A V H >< S+ 0 0 11 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.930 112.1 49.0 -59.4 -45.2 -17.5 -5.7 -9.3 65 65 A N H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.0 48.8 -64.8 -35.9 -18.5 -9.0 -11.0 66 66 A A H 3< 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 360.0 360.0 -80.9 -5.1 -22.2 -8.0 -11.1 67 67 A E << 0 0 162 -3,-1.1 -3,-0.1 -4,-0.6 -4,-0.0 -0.068 360.0 360.0-112.9 360.0 -21.3 -4.6 -12.6