==== 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 24-JUN-10 3NNS . COMPND 2 MOLECULE: DNA BINDING RESPONSE REGULATOR B; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR V.L.ROBINSON,A.M.STOCK . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 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 . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 0 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 1 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 PARALLEL BRIDGES PER LADDER . 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 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 X 0 0 194 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.5 -5.2 -45.3 19.2 2 2 A X - 0 0 98 24,-0.1 2,-0.3 2,-0.0 24,-0.1 -0.957 360.0-147.4-117.9 120.4 -7.6 -45.2 16.3 3 3 A W - 0 0 84 -2,-0.5 24,-2.1 22,-0.4 2,-0.4 -0.643 15.9-154.5 -82.2 142.9 -10.6 -47.5 16.2 4 4 A K E -a 27 0A 43 -2,-0.3 41,-2.1 22,-0.2 42,-1.6 -0.981 10.6-173.0-124.8 129.7 -11.6 -48.5 12.7 5 5 A I E -ab 28 46A 0 22,-2.9 24,-2.7 -2,-0.4 2,-0.3 -0.974 7.4-157.9-124.8 133.8 -15.1 -49.6 11.6 6 6 A A E -ab 29 47A 0 40,-2.3 42,-3.3 -2,-0.4 2,-0.4 -0.834 2.9-162.5-107.4 146.7 -16.1 -51.0 8.3 7 7 A V E -ab 30 48A 1 22,-2.2 24,-2.4 -2,-0.3 2,-0.6 -0.973 6.2-173.4-131.9 115.7 -19.7 -50.9 7.0 8 8 A V E +ab 31 49A 1 40,-2.8 42,-2.4 -2,-0.4 2,-0.3 -0.947 27.0 128.2-115.6 115.9 -20.7 -53.2 4.2 9 9 A D - 0 0 2 22,-2.7 6,-0.1 -2,-0.6 22,-0.1 -0.911 53.2-139.6-166.3 135.4 -24.2 -52.8 2.7 10 10 A D S S+ 0 0 63 42,-0.3 2,-0.9 -2,-0.3 22,-0.1 0.611 84.1 92.4 -73.6 -12.4 -25.5 -52.3 -0.9 11 11 A D >> - 0 0 68 1,-0.2 4,-1.7 2,-0.0 3,-1.1 -0.754 65.7-157.6 -88.8 107.8 -28.0 -49.7 0.5 12 12 A K H 3> S+ 0 0 143 -2,-0.9 4,-2.5 1,-0.3 5,-0.2 0.841 91.2 56.9 -50.2 -40.8 -26.4 -46.3 0.2 13 13 A N H 3> S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.817 104.1 51.9 -64.4 -32.8 -28.7 -44.9 2.9 14 14 A I H <> S+ 0 0 14 -3,-1.1 4,-2.7 2,-0.2 5,-0.4 0.917 110.1 49.4 -68.9 -43.7 -27.5 -47.4 5.4 15 15 A L H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.937 115.5 43.4 -60.2 -47.6 -23.9 -46.6 4.7 16 16 A K H X S+ 0 0 103 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.952 118.3 42.4 -64.8 -50.3 -24.5 -42.8 5.1 17 17 A K H X S+ 0 0 118 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.912 119.1 42.8 -64.0 -45.8 -26.7 -43.1 8.2 18 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.942 114.6 50.2 -66.3 -48.2 -24.6 -45.7 10.0 19 19 A S H X S+ 0 0 28 -4,-2.2 4,-1.5 -5,-0.4 -2,-0.2 0.892 111.1 49.7 -57.8 -41.6 -21.3 -44.0 9.1 20 20 A E H < S+ 0 0 119 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.840 113.7 45.7 -67.3 -33.1 -22.6 -40.7 10.3 21 21 A K H < S+ 0 0 58 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.873 118.9 41.2 -77.4 -36.1 -23.7 -42.2 13.6 22 22 A L H >X S+ 0 0 1 -4,-2.9 3,-2.1 1,-0.2 4,-0.9 0.578 86.5 89.9 -89.7 -10.1 -20.5 -44.1 14.1 23 23 A Q T 3< S+ 0 0 144 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.807 79.5 67.1 -56.4 -27.6 -18.0 -41.5 13.0 24 24 A Q T 34 S+ 0 0 130 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.741 98.6 51.1 -65.8 -22.9 -17.9 -40.3 16.6 25 25 A L T <4 S- 0 0 21 -3,-2.1 -22,-0.4 1,-0.2 2,-0.3 0.772 125.0 -70.0 -84.9 -30.2 -16.3 -43.6 17.7 26 26 A G S < S- 0 0 22 -4,-0.9 2,-0.4 -3,-0.3 -1,-0.2 -0.975 81.0 -15.6 169.4-156.6 -13.4 -43.6 15.1 27 27 A R E -a 4 0A 150 -24,-2.1 -22,-2.9 -2,-0.3 2,-0.4 -0.608 56.8-164.7 -78.7 128.9 -12.6 -43.9 11.4 28 28 A V E -a 5 0A 32 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.959 6.3-169.8-118.2 131.6 -15.5 -45.5 9.4 29 29 A K E -a 6 0A 83 -24,-2.7 -22,-2.2 -2,-0.4 2,-0.3 -0.973 11.9-149.2-120.1 133.8 -15.1 -46.9 5.9 30 30 A T E -a 7 0A 64 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.697 9.8-168.7-105.0 155.3 -18.1 -47.9 3.8 31 31 A F E -a 8 0A 19 -24,-2.4 -22,-2.7 -2,-0.3 3,-0.0 -0.987 16.6-162.0-143.7 131.4 -18.5 -50.5 1.1 32 32 A L S S+ 0 0 70 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.664 80.1 30.9 -85.0 -18.9 -21.3 -51.1 -1.4 33 33 A T S > S- 0 0 30 1,-0.1 4,-1.5 20,-0.1 5,-0.1 -0.956 72.0-125.1-139.1 159.6 -20.4 -54.7 -2.1 34 34 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.885 110.7 59.4 -67.9 -38.7 -18.7 -57.7 -0.5 35 35 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 105.2 48.5 -55.7 -48.5 -16.2 -57.9 -3.3 36 36 A D H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.879 113.3 47.8 -61.3 -37.6 -15.0 -54.4 -2.6 37 37 A F H >< S+ 0 0 20 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.939 111.1 50.4 -67.8 -46.2 -14.7 -55.2 1.1 38 38 A L H 3< S+ 0 0 53 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.782 106.2 55.4 -63.0 -30.1 -12.9 -58.5 0.5 39 39 A N T 3< S+ 0 0 112 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.3 0.447 85.5 95.1 -85.1 1.3 -10.3 -56.9 -1.8 40 40 A D < - 0 0 28 -3,-1.4 -4,-0.0 -4,-0.2 -3,-0.0 -0.836 61.5-161.3 -93.2 116.2 -9.3 -54.3 0.9 41 41 A E + 0 0 150 -2,-0.7 2,-0.1 2,-0.0 -1,-0.1 0.295 53.0 105.9 -83.9 12.7 -6.3 -55.7 2.8 42 42 A E - 0 0 47 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.445 68.1-113.0 -91.0 165.5 -6.6 -53.5 5.9 43 43 A A - 0 0 46 -2,-0.1 2,-0.3 29,-0.0 -1,-0.1 -0.658 24.3-167.2 -97.0 152.5 -7.7 -54.4 9.4 44 44 A F - 0 0 14 -2,-0.3 -39,-0.2 1,-0.1 3,-0.1 -0.986 21.3-146.8-135.5 145.1 -10.9 -53.3 11.1 45 45 A H S S+ 0 0 69 -41,-2.1 28,-2.6 -2,-0.3 2,-0.4 0.871 90.8 16.3 -78.1 -38.1 -11.8 -53.6 14.8 46 46 A V E -bc 5 73A 0 -42,-1.6 -40,-2.3 26,-0.2 2,-0.5 -0.995 64.8-161.4-136.9 141.9 -15.5 -53.9 14.0 47 47 A V E -bc 6 74A 1 26,-2.8 28,-2.5 -2,-0.4 2,-0.8 -0.973 7.8-155.5-126.8 115.4 -17.3 -54.7 10.7 48 48 A V E -bc 7 75A 2 -42,-3.3 -40,-2.8 -2,-0.5 2,-0.5 -0.835 28.6-167.8 -88.1 114.3 -21.0 -53.9 10.4 49 49 A L E -bc 8 76A 0 26,-3.1 28,-2.6 -2,-0.8 -40,-0.2 -0.932 20.1-143.5-121.7 127.8 -22.0 -56.3 7.7 50 50 A D - 0 0 4 -42,-2.4 28,-0.2 -2,-0.5 3,-0.1 -0.404 9.1-151.4 -75.1 153.7 -25.2 -56.7 5.6 51 51 A V S S+ 0 0 4 26,-0.4 7,-2.2 1,-0.2 2,-1.2 0.878 82.1 57.8 -95.5 -48.4 -26.4 -60.2 4.8 52 52 A X B S+E 57 0B 103 5,-0.2 -42,-0.3 6,-0.1 -1,-0.2 -0.694 73.0 160.8 -88.2 94.6 -28.2 -59.8 1.5 53 53 A L - 0 0 22 -2,-1.2 -20,-0.1 3,-1.0 -21,-0.0 -0.691 49.3-114.8-109.3 164.4 -25.5 -58.4 -0.8 54 54 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.922 109.8 15.2 -63.2 -46.3 -25.3 -58.3 -4.6 55 55 A D S S+ 0 0 65 1,-0.1 2,-0.2 -3,-0.0 -22,-0.1 0.859 128.7 25.1 -97.6 -48.2 -22.3 -60.6 -4.9 56 56 A Y S S- 0 0 82 4,-0.0 -3,-1.0 3,-0.0 2,-0.3 -0.715 71.7-117.1-117.5 169.4 -21.8 -62.3 -1.6 57 57 A S B > -E 52 0B 31 -2,-0.2 4,-2.0 -5,-0.2 3,-0.3 -0.803 27.4-124.5-100.0 146.0 -23.9 -63.3 1.4 58 58 A G H > S+ 0 0 0 -7,-2.2 4,-2.8 -2,-0.3 5,-0.2 0.800 112.3 60.4 -61.4 -27.6 -22.9 -61.7 4.7 59 59 A Y H > S+ 0 0 13 -8,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.917 104.9 47.4 -64.6 -43.7 -22.6 -65.2 6.1 60 60 A E H > S+ 0 0 89 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.933 114.4 46.2 -61.9 -47.4 -19.9 -66.0 3.6 61 61 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.919 110.2 53.5 -62.6 -45.3 -18.0 -62.8 4.2 62 62 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.900 108.1 51.7 -57.1 -42.2 -18.3 -63.2 8.0 63 63 A R H X S+ 0 0 102 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.920 110.4 46.6 -62.1 -45.3 -16.8 -66.7 7.7 64 64 A X H X S+ 0 0 63 -4,-2.0 4,-0.5 2,-0.2 5,-0.2 0.838 108.5 56.8 -67.8 -31.3 -13.8 -65.4 5.7 65 65 A I H >X S+ 0 0 8 -4,-2.4 4,-3.7 1,-0.2 3,-1.2 0.948 109.8 44.5 -63.3 -46.3 -13.3 -62.6 8.1 66 66 A K H 3< S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.0 54.9 -68.6 -24.7 -13.0 -65.1 11.0 67 67 A E H 3< S+ 0 0 147 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.532 123.3 26.0 -85.0 -5.3 -10.7 -67.2 8.8 68 68 A T H << S+ 0 0 98 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.2 0.699 139.7 12.1-122.1 -42.3 -8.4 -64.3 8.2 69 69 A R >< + 0 0 81 -4,-3.7 3,-2.3 -5,-0.2 -2,-0.2 -0.587 61.5 171.2-140.3 73.0 -8.7 -61.9 11.2 70 70 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.662 74.2 71.9 -58.6 -17.6 -10.7 -63.6 14.0 71 71 A E T 3 S+ 0 0 112 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.696 78.6 103.8 -72.5 -15.2 -9.9 -60.7 16.4 72 72 A T S < S- 0 0 4 -3,-2.3 2,-0.6 -7,-0.2 -26,-0.2 -0.402 71.8-134.2 -69.9 138.3 -12.4 -58.7 14.3 73 73 A W E -c 46 0A 21 -28,-2.6 -26,-2.8 -29,-0.1 2,-0.5 -0.851 21.9-161.2 -94.4 124.5 -15.8 -58.1 15.8 74 74 A V E -c 47 0A 0 -2,-0.6 21,-2.9 19,-0.3 22,-1.4 -0.927 10.1-172.7-115.6 120.9 -18.6 -58.7 13.2 75 75 A I E -cd 48 96A 0 -28,-2.5 -26,-3.1 -2,-0.5 2,-0.3 -0.945 16.2-146.2-111.3 114.8 -22.0 -57.3 13.6 76 76 A L E -cd 49 97A 0 20,-2.5 22,-3.6 -2,-0.6 2,-0.5 -0.672 13.9-170.8 -81.0 135.2 -24.5 -58.5 11.1 77 77 A L E + d 0 98A 1 -28,-2.6 -26,-0.4 -2,-0.3 2,-0.3 -0.952 26.0 142.8-129.1 106.6 -27.1 -55.8 10.2 78 78 A T E - d 0 99A 0 20,-2.1 22,-2.3 -2,-0.5 -28,-0.0 -0.968 62.2-123.4-148.8 160.6 -29.9 -57.2 8.1 79 79 A L S S+ 0 0 81 -2,-0.3 2,-0.5 20,-0.2 20,-0.1 0.606 86.3 102.6 -77.0 -12.5 -33.6 -57.2 7.3 80 80 A L + 0 0 35 1,-0.1 -2,-0.2 5,-0.1 20,-0.1 -0.633 40.7 158.9 -72.4 119.2 -33.6 -60.9 8.0 81 81 A S + 0 0 71 -2,-0.5 -1,-0.1 18,-0.1 2,-0.1 0.387 26.9 113.3-126.8 3.3 -35.1 -61.2 11.4 82 82 A D S >> S- 0 0 80 1,-0.1 4,-2.0 4,-0.0 3,-0.5 -0.440 76.4-111.3 -76.6 153.1 -36.4 -64.8 11.8 83 83 A D H 3> S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.834 115.0 55.7 -52.3 -41.1 -34.7 -67.2 14.3 84 84 A E H 3> S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.1 47.6 -61.9 -41.8 -33.1 -69.4 11.6 85 85 A S H <> S+ 0 0 16 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.892 112.2 51.1 -66.9 -38.1 -31.4 -66.4 9.9 86 86 A V H X S+ 0 0 13 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.934 111.8 46.4 -63.5 -46.1 -30.2 -65.3 13.3 87 87 A L H X S+ 0 0 23 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.894 108.9 54.2 -63.4 -40.9 -28.8 -68.7 14.1 88 88 A K H X S+ 0 0 99 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.880 106.4 55.4 -60.5 -36.3 -27.2 -69.0 10.7 89 89 A G H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 3,-0.2 0.946 110.6 41.7 -61.5 -49.7 -25.5 -65.7 11.5 90 90 A F H ><5S+ 0 0 19 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.868 111.4 56.4 -67.5 -34.1 -23.9 -67.0 14.7 91 91 A E H 3<5S+ 0 0 140 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 103.7 55.6 -64.4 -30.4 -23.0 -70.3 13.1 92 92 A A T 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -3,-0.2 -26,-0.2 0.466 130.7 -96.3 -80.8 -2.5 -21.1 -68.2 10.5 93 93 A G T < 5 + 0 0 23 -3,-1.6 -19,-0.3 1,-0.2 -3,-0.2 0.503 66.3 161.3 102.7 4.6 -19.1 -66.6 13.3 94 94 A A < - 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