==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 23-JUN-10 3NNN . COMPND 2 MOLECULE: DNA BINDING RESPONSE REGULATOR D; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR V.L.ROBINSON,A.M.STOCK . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 16.8 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 . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 6 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 2 A N 0 0 163 0, 0.0 2,-0.4 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -11.7 15.2 28.7 -21.3 2 3 A V - 0 0 15 23,-0.3 25,-3.3 2,-0.0 2,-0.5 -0.968 360.0-168.7-131.9 115.9 15.8 25.4 -19.5 3 4 A R E -a 27 0A 89 -2,-0.4 44,-3.5 23,-0.2 45,-1.3 -0.913 7.3-172.0-106.6 127.1 13.1 22.8 -19.1 4 5 A V E -ab 28 48A 0 23,-3.3 25,-2.3 -2,-0.5 2,-0.5 -0.960 11.5-150.0-120.4 134.0 13.9 19.9 -16.7 5 6 A L E -ab 29 49A 0 43,-2.5 45,-3.0 -2,-0.4 2,-0.5 -0.886 11.1-163.8-103.8 132.0 11.7 16.8 -16.3 6 7 A V E -ab 30 50A 1 23,-2.9 25,-3.3 -2,-0.5 2,-0.5 -0.972 8.2-177.0-119.2 125.5 11.7 15.1 -12.8 7 8 A V E +ab 31 51A 1 43,-2.1 45,-2.0 -2,-0.5 2,-0.3 -0.951 25.3 137.7-123.7 107.3 10.4 11.5 -12.4 8 9 A E - 0 0 5 23,-2.4 6,-0.1 -2,-0.5 47,-0.1 -0.932 40.4-154.7-154.0 126.1 10.5 10.3 -8.7 9 10 A D S S+ 0 0 60 45,-0.3 2,-1.6 -2,-0.3 3,-0.1 0.747 79.1 84.6 -75.5 -26.9 7.8 8.4 -6.8 10 11 A E S >> S- 0 0 130 1,-0.2 4,-3.0 2,-0.1 3,-0.7 -0.639 71.8-159.7 -78.8 91.9 8.8 9.6 -3.3 11 12 A R H 3> S+ 0 0 137 -2,-1.6 4,-3.2 1,-0.2 5,-0.2 0.825 83.3 49.9 -39.9 -57.0 6.8 12.8 -3.5 12 13 A D H 3> S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 115.5 43.7 -55.4 -43.4 8.5 14.8 -0.8 13 14 A L H <> S+ 0 0 45 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.946 112.7 52.7 -66.9 -47.5 12.0 14.0 -2.3 14 15 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.921 111.9 46.0 -53.7 -44.5 10.6 14.7 -5.8 15 16 A D H X S+ 0 0 56 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.875 110.1 54.0 -67.4 -35.6 9.4 18.1 -4.5 16 17 A L H X S+ 0 0 88 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.952 111.2 45.6 -61.0 -49.6 12.7 18.8 -2.8 17 18 A I H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.937 112.4 51.6 -58.9 -48.0 14.5 18.2 -6.0 18 19 A T H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.897 108.2 49.9 -57.9 -46.5 12.1 20.3 -8.0 19 20 A E H X S+ 0 0 110 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.910 110.1 51.5 -61.5 -41.9 12.3 23.3 -5.7 20 21 A A H < S+ 0 0 14 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.922 112.1 46.3 -61.0 -43.8 16.1 23.2 -5.8 21 22 A L H ><>S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 5,-1.2 0.903 110.7 51.7 -65.9 -42.4 16.0 23.1 -9.6 22 23 A K H ><5S+ 0 0 93 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.829 101.7 61.9 -63.9 -29.9 13.5 26.0 -9.8 23 24 A K T 3<5S+ 0 0 175 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 97.8 57.3 -69.6 -16.8 15.8 28.0 -7.6 24 25 A E T < 5S- 0 0 59 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.403 126.8-107.8 -89.2 -1.3 18.3 27.7 -10.4 25 26 A M T < 5S+ 0 0 151 -3,-1.8 2,-0.3 1,-0.3 -23,-0.3 0.835 72.1 143.8 77.0 36.5 15.7 29.3 -12.5 26 27 A F < - 0 0 15 -5,-1.2 2,-0.6 -25,-0.1 -1,-0.3 -0.801 56.3-116.9-105.8 148.8 14.8 26.2 -14.5 27 28 A T E -a 3 0A 76 -25,-3.3 -23,-3.3 -2,-0.3 2,-0.5 -0.753 40.2-164.1 -82.9 123.1 11.3 25.3 -15.7 28 29 A V E -a 4 0A 24 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.941 20.1-173.5-122.3 125.8 10.5 22.1 -13.9 29 30 A D E -a 5 0A 78 -25,-2.3 -23,-2.9 -2,-0.5 2,-0.4 -0.944 17.9-159.7-109.3 129.4 7.8 19.5 -14.6 30 31 A V E -a 6 0A 34 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.923 10.1-169.3-118.3 138.4 7.5 16.7 -12.0 31 32 A C E -a 7 0A 1 -25,-3.3 -23,-2.4 -2,-0.4 3,-0.0 -0.961 12.7-161.7-122.1 140.3 6.0 13.3 -12.2 32 33 A Y S S+ 0 0 51 -2,-0.4 2,-0.3 -25,-0.2 -21,-0.1 0.275 75.2 39.3-103.1 8.7 5.4 10.9 -9.3 33 34 A D S > S- 0 0 46 22,-0.1 4,-1.8 -25,-0.0 24,-0.1 -0.990 79.8-115.3-154.2 157.2 5.0 7.8 -11.4 34 35 A G H > S+ 0 0 0 22,-1.3 4,-1.9 -2,-0.3 5,-0.2 0.605 106.9 66.4 -71.1 -10.8 6.5 6.0 -14.4 35 36 A E H > S+ 0 0 125 21,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.975 111.3 30.3 -74.0 -56.8 3.2 6.3 -16.3 36 37 A E H > S+ 0 0 87 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.841 116.7 62.8 -70.0 -30.8 3.2 10.0 -16.7 37 38 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.959 105.2 44.7 -55.7 -53.3 7.0 10.0 -16.6 38 39 A M H X S+ 0 0 23 -4,-1.9 4,-1.6 1,-0.2 5,-0.2 0.951 114.2 49.9 -54.6 -54.1 7.0 8.0 -19.8 39 40 A Y H X S+ 0 0 122 -4,-1.9 4,-1.5 1,-0.2 3,-0.3 0.910 114.1 43.8 -52.3 -50.3 4.4 10.2 -21.4 40 41 A M H X S+ 0 0 20 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.884 113.3 51.3 -64.2 -41.7 6.2 13.4 -20.6 41 42 A A H < S+ 0 0 3 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.716 117.8 39.1 -70.8 -20.5 9.5 12.1 -21.6 42 43 A L H < S+ 0 0 57 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.583 126.3 30.8-105.6 -11.9 8.2 10.9 -25.0 43 44 A N H < S+ 0 0 98 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.631 107.3 63.7-121.2 -18.1 5.9 13.8 -25.8 44 45 A E S < S- 0 0 91 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.1 -0.875 78.4-117.5-114.2 143.9 7.3 17.0 -24.3 45 46 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.609 39.1 170.8 -78.8 129.0 10.6 18.7 -25.1 46 47 A F - 0 0 16 -2,-0.4 -42,-0.2 -5,-0.1 3,-0.1 -0.893 37.7-146.1-133.8 163.5 13.1 18.9 -22.2 47 48 A D S S+ 0 0 47 -44,-3.5 2,-0.3 1,-0.4 -43,-0.2 0.713 90.7 10.2 -97.5 -30.5 16.8 19.9 -21.8 48 49 A V E -b 4 0A 0 -45,-1.3 -43,-2.5 26,-0.1 2,-0.5 -0.993 61.9-152.9-149.7 144.6 17.4 17.3 -19.1 49 50 A V E -bc 5 76A 2 26,-2.4 28,-3.2 -2,-0.3 2,-0.7 -0.969 6.9-160.3-123.1 115.2 15.6 14.4 -17.7 50 51 A I E -bc 6 77A 3 -45,-3.0 -43,-2.1 -2,-0.5 2,-0.5 -0.864 21.4-165.5 -95.9 116.7 16.3 13.4 -14.1 51 52 A L E -bc 7 78A 0 26,-3.7 28,-2.1 -2,-0.7 2,-0.2 -0.906 20.2-157.0-119.5 124.7 15.1 9.8 -13.7 52 53 A D - 0 0 7 -45,-2.0 28,-0.2 -2,-0.5 3,-0.1 -0.525 17.1-146.0 -81.1 157.1 14.5 7.6 -10.7 53 54 A I S S+ 0 0 2 26,-0.3 7,-2.7 1,-0.2 2,-0.7 0.921 79.7 58.4 -88.9 -74.1 14.7 3.9 -11.5 54 55 A M S S+ 0 0 128 5,-0.2 -45,-0.3 6,-0.1 -1,-0.2 -0.431 74.8 146.6 -63.6 104.3 12.1 2.0 -9.3 55 56 A L - 0 0 21 -2,-0.7 -22,-0.1 -3,-0.1 2,-0.1 -0.932 51.9 -88.6-139.0 158.8 8.8 3.6 -10.2 56 57 A P S S- 0 0 61 0, 0.0 2,-2.3 0, 0.0 -22,-1.3 -0.416 101.4 -6.8 -69.7 144.3 5.2 2.5 -10.6 57 58 A V S S+ 0 0 91 -23,-0.1 2,-0.4 -24,-0.1 -24,-0.0 -0.446 137.3 31.4 72.3 -73.1 4.0 1.2 -14.0 58 59 A H S S- 0 0 58 -2,-2.3 2,-0.1 -4,-0.0 -21,-0.1 -0.959 78.1-141.2-119.7 135.2 7.2 1.9 -15.9 59 60 A D > - 0 0 46 -2,-0.4 4,-2.2 -5,-0.1 3,-0.2 -0.452 32.8-101.2 -88.7 165.1 10.7 1.9 -14.4 60 61 A G H > S+ 0 0 0 -7,-2.7 4,-2.4 1,-0.2 5,-0.2 0.824 121.3 59.8 -52.5 -35.1 13.5 4.3 -15.2 61 62 A W H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.962 107.1 44.3 -57.5 -55.6 15.1 1.6 -17.4 62 63 A E H > S+ 0 0 71 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 112.0 53.0 -56.9 -45.1 12.0 1.4 -19.7 63 64 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.945 110.5 47.1 -60.5 -46.8 11.6 5.2 -19.8 64 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.960 114.0 45.7 -59.9 -53.5 15.2 5.7 -20.9 65 66 A K H X S+ 0 0 96 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.879 110.8 53.3 -58.6 -39.8 15.1 3.0 -23.6 66 67 A S H X S+ 0 0 27 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.894 109.6 49.8 -63.5 -38.5 11.8 4.2 -25.0 67 68 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.4 -5,-0.2 3,-0.5 0.958 115.2 42.1 -63.1 -50.4 13.2 7.7 -25.3 68 69 A R H ><5S+ 0 0 52 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.903 112.3 53.9 -64.8 -39.9 16.3 6.4 -27.2 69 70 A E H 3<5S+ 0 0 158 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 109.5 50.6 -65.6 -21.6 14.2 4.0 -29.3 70 71 A S T <<5S- 0 0 79 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.308 120.2-106.9 -98.0 5.7 12.1 7.0 -30.2 71 72 A G T < 5S+ 0 0 64 -3,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.512 72.9 141.4 83.2 2.9 15.0 9.2 -31.3 72 73 A V < + 0 0 37 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.711 23.8 178.1 -81.7 102.6 14.8 11.5 -28.2 73 74 A N + 0 0 91 -2,-1.0 -1,-0.1 -3,-0.1 3,-0.1 0.164 22.3 149.8 -93.3 19.1 18.4 12.1 -27.3 74 75 A T - 0 0 24 -33,-0.1 -26,-0.1 1,-0.1 -27,-0.1 -0.198 59.4 -94.7 -53.7 138.2 17.7 14.4 -24.4 75 76 A P - 0 0 22 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.328 45.2-156.7 -58.0 130.5 20.3 14.2 -21.7 76 77 A V E -c 49 0A 0 19,-0.3 21,-2.5 -28,-0.2 22,-1.2 -0.940 15.0-173.9-117.8 134.6 19.4 11.8 -19.0 77 78 A L E -cd 50 98A 0 -28,-3.2 -26,-3.7 -2,-0.4 2,-0.5 -0.990 14.9-149.1-123.2 123.8 20.5 11.7 -15.4 78 79 A M E -cd 51 99A 0 20,-1.9 22,-3.1 -2,-0.5 2,-0.4 -0.825 12.2-174.8 -97.7 133.8 19.4 8.8 -13.2 79 80 A L E + d 0 100A 3 -28,-2.1 2,-0.3 -2,-0.5 -26,-0.3 -0.959 29.8 140.4-125.2 110.3 19.0 9.4 -9.5 80 81 A T E - d 0 101A 1 20,-0.8 22,-2.1 -2,-0.4 -28,-0.1 -0.954 63.6-119.9-155.0 157.5 18.2 6.1 -7.7 81 82 A A S S+ 0 0 65 -2,-0.3 2,-2.0 20,-0.2 3,-0.2 0.564 89.6 98.4 -76.8 -12.8 18.8 3.9 -4.6 82 83 A L + 0 0 25 1,-0.2 -2,-0.1 5,-0.1 -1,-0.1 -0.620 48.4 156.3 -77.7 87.8 20.3 1.3 -6.9 83 84 A S + 0 0 47 -2,-2.0 -1,-0.2 19,-0.1 5,-0.1 0.632 20.1 119.1 -92.2 -19.2 23.8 2.5 -6.1 84 85 A D S >> S- 0 0 94 -3,-0.2 4,-1.7 1,-0.1 3,-1.5 -0.188 73.1-120.3 -51.3 139.1 26.0 -0.6 -6.8 85 86 A V H 3> S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.839 112.3 63.4 -51.0 -38.3 28.5 0.1 -9.5 86 87 A E H 3> S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 105.0 46.9 -55.5 -38.1 27.0 -2.7 -11.7 87 88 A Y H <> S+ 0 0 94 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.903 107.8 55.4 -71.0 -41.5 23.8 -0.6 -11.8 88 89 A R H X S+ 0 0 58 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.935 110.5 46.1 -56.8 -46.0 25.7 2.6 -12.6 89 90 A V H X S+ 0 0 21 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.927 109.9 54.4 -63.2 -44.9 27.3 0.8 -15.6 90 91 A K H X S+ 0 0 97 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.939 110.7 44.9 -55.9 -49.9 23.9 -0.6 -16.7 91 92 A G H X>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-0.5 0.932 117.5 43.9 -60.6 -46.8 22.3 2.8 -16.8 92 93 A L H ><5S+ 0 0 0 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.959 112.6 50.5 -63.5 -53.2 25.2 4.5 -18.6 93 94 A N H 3<5S+ 0 0 83 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.8 56.4 -55.1 -31.6 25.7 1.7 -21.1 94 95 A M H 3<5S- 0 0 45 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.611 135.1 -82.2 -76.3 -16.1 22.0 1.8 -21.8 95 96 A G T <<5S+ 0 0 6 -3,-2.0 -19,-0.3 -4,-0.5 -3,-0.2 0.425 79.5 141.2 129.6 -2.0 22.2 5.5 -22.7 96 97 A A < - 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