==== 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 SIGNALING PROTEIN 12-OCT-07 2ZAY . COMPND 2 MOLECULE: RESPONSE REGULATOR RECEIVER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,A.MEYER,J.M.SAUDER,S.K.BURLEY,S.C.AL . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 4 2 0 0 0 2 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 8 A W 0 0 222 0, 0.0 2,-0.6 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 87.5 36.2 28.4 15.6 2 9 A W E -a 26 0A 87 23,-0.7 25,-3.1 44,-0.0 2,-0.5 -0.898 360.0-155.7-107.6 116.6 34.6 24.9 15.7 3 10 A R E -a 27 0A 83 -2,-0.6 44,-2.5 42,-0.2 45,-1.1 -0.779 14.8-175.8 -88.9 125.2 31.0 24.6 16.7 4 11 A I E -ab 28 48A 0 23,-2.7 25,-2.9 -2,-0.5 2,-0.5 -0.979 12.0-154.2-125.6 119.2 30.3 21.1 18.0 5 12 A M E -ab 29 49A 1 43,-2.2 45,-2.9 -2,-0.5 2,-0.5 -0.804 9.4-165.6 -94.2 132.3 26.7 20.1 19.0 6 13 A L E -ab 30 50A 6 23,-3.4 25,-3.0 -2,-0.5 2,-0.5 -0.975 3.4-170.5-118.9 125.0 26.4 17.3 21.6 7 14 A V E +ab 31 51A 0 43,-3.1 45,-2.2 -2,-0.5 2,-0.3 -0.960 23.0 142.6-117.7 118.3 23.1 15.6 22.2 8 15 A D > - 0 0 0 23,-2.1 3,-0.6 -2,-0.5 47,-0.1 -0.987 49.9-135.6-154.8 144.7 22.8 13.2 25.2 9 16 A T T 3 S+ 0 0 60 -2,-0.3 23,-0.1 1,-0.3 -1,-0.0 0.561 107.1 40.3 -79.3 -8.2 20.1 12.3 27.8 10 17 A Q T > + 0 0 101 1,-0.1 3,-1.3 2,-0.0 4,-0.5 -0.470 65.5 160.9-137.9 64.2 22.6 12.5 30.6 11 18 A L G X> + 0 0 28 -3,-0.6 3,-1.7 1,-0.3 4,-0.7 0.809 69.8 67.6 -53.9 -36.5 24.9 15.4 29.9 12 19 A P G >4 S+ 0 0 111 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.870 94.4 58.5 -55.5 -34.9 26.1 15.7 33.5 13 20 A A G <4 S+ 0 0 68 -3,-1.3 3,-0.2 1,-0.2 4,-0.2 0.722 109.0 44.8 -67.0 -20.7 27.8 12.3 33.0 14 21 A L G <> S+ 0 0 9 -3,-1.7 4,-3.0 -4,-0.5 3,-0.3 0.461 79.9 105.8-101.0 -3.6 29.8 13.9 30.1 15 22 A A H S+ 0 0 80 -4,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.943 113.7 41.3 -59.4 -51.8 34.2 16.0 32.5 17 24 A S H > S+ 0 0 11 -3,-0.3 4,-1.4 -4,-0.2 -2,-0.2 0.890 113.2 54.1 -64.4 -42.4 34.8 15.2 28.8 18 25 A I H X S+ 0 0 10 -4,-3.0 4,-1.7 1,-0.2 3,-0.2 0.899 105.9 52.6 -60.3 -42.3 32.9 18.4 27.6 19 26 A S H X S+ 0 0 81 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.893 106.8 53.3 -61.6 -39.8 35.1 20.6 29.8 20 27 A A H X S+ 0 0 33 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.817 107.0 52.0 -65.3 -32.3 38.3 19.1 28.3 21 28 A L H X>S+ 0 0 4 -4,-1.4 5,-2.2 -3,-0.2 4,-0.6 0.847 102.9 57.0 -73.0 -35.9 37.0 19.8 24.8 22 29 A S H ><5S+ 0 0 62 -4,-1.7 3,-2.0 1,-0.3 -2,-0.2 0.950 106.3 51.1 -58.7 -46.8 36.3 23.5 25.5 23 30 A Q H 3<5S+ 0 0 174 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.810 103.1 60.2 -57.9 -31.7 40.0 23.7 26.5 24 31 A E H 3<5S- 0 0 83 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.624 127.6-100.3 -72.2 -15.4 40.8 22.1 23.2 25 32 A G T <<5S+ 0 0 49 -3,-2.0 -23,-0.7 -4,-0.6 2,-0.3 0.511 76.6 139.2 107.0 7.2 39.1 25.1 21.5 26 33 A F E < -a 2 0A 12 -5,-2.2 2,-0.9 -25,-0.1 -1,-0.3 -0.672 49.9-138.5 -87.9 139.1 35.7 23.5 20.7 27 34 A D E -a 3 0A 78 -25,-3.1 -23,-2.7 -2,-0.3 2,-0.5 -0.848 27.5-151.5 -95.7 100.7 32.6 25.6 21.1 28 35 A I E -a 4 0A 28 -2,-0.9 2,-0.6 -25,-0.2 -23,-0.2 -0.652 14.2-166.9 -85.9 123.1 30.2 23.0 22.7 29 36 A I E -a 5 0A 35 -25,-2.9 -23,-3.4 -2,-0.5 2,-0.5 -0.929 17.2-153.1-105.2 117.0 26.5 23.4 22.1 30 37 A Q E +a 6 0A 95 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.838 16.3 179.2-103.2 126.3 24.7 21.0 24.5 31 38 A C E -a 7 0A 2 -25,-3.0 -23,-2.1 -2,-0.5 3,-0.1 -0.968 20.1-154.9-122.9 135.9 21.2 19.5 23.9 32 39 A G S S+ 0 0 26 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.1 0.605 75.6 4.4 -84.2 -13.5 19.5 17.1 26.3 33 40 A N S > S- 0 0 66 1,-0.1 4,-1.6 22,-0.0 3,-0.4 -0.980 75.5 -99.2-161.8 169.6 17.3 15.4 23.7 34 41 A A H > S+ 0 0 4 24,-0.4 4,-1.6 -2,-0.3 25,-0.1 0.776 109.3 70.4 -66.2 -29.3 16.5 15.1 20.0 35 42 A I H 4 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.903 111.0 28.6 -56.5 -47.2 13.5 17.4 20.2 36 43 A E H > S+ 0 0 83 -3,-0.4 4,-2.1 1,-0.1 5,-0.2 0.793 110.4 72.5 -85.6 -27.3 15.5 20.5 20.8 37 44 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.866 93.0 52.3 -54.3 -46.1 18.6 19.3 18.9 38 45 A V H X S+ 0 0 39 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.966 113.2 39.8 -60.4 -57.5 17.1 19.6 15.4 39 46 A P H > S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.896 117.0 52.4 -60.4 -37.9 15.9 23.2 15.5 40 47 A V H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.919 108.9 49.6 -63.5 -42.0 19.0 24.1 17.4 41 48 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.928 107.9 54.0 -62.7 -44.0 21.2 22.5 14.7 42 49 A V H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.9 35.2 -60.2 -35.3 19.3 24.3 11.9 43 50 A K H < S+ 0 0 153 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.707 122.9 41.2 -94.9 -19.2 20.0 27.7 13.5 44 51 A T H < S- 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.572 87.4-148.8-102.5 -13.0 23.4 27.2 15.0 45 52 A H < - 0 0 79 -4,-2.1 -42,-0.2 -5,-0.3 -3,-0.1 0.908 15.9-155.4 47.4 58.7 25.0 25.3 12.1 46 53 A P - 0 0 2 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.286 16.2-134.6 -61.4 151.7 27.4 23.1 14.1 47 54 A H S S+ 0 0 31 -44,-2.5 2,-0.3 1,-0.3 -43,-0.2 0.759 89.3 8.8 -76.6 -25.5 30.4 21.9 12.1 48 55 A L E -b 4 0A 0 -45,-1.1 -43,-2.2 28,-0.1 2,-0.4 -0.990 69.7-144.7-154.0 148.5 29.9 18.4 13.6 49 56 A I E -bc 5 78A 0 28,-2.6 30,-3.2 -2,-0.3 2,-0.5 -0.946 6.1-166.6-121.9 137.3 27.2 16.7 15.7 50 57 A I E +bc 6 79A 2 -45,-2.9 -43,-3.1 -2,-0.4 2,-0.4 -0.988 18.0 177.7-121.4 122.5 27.7 14.1 18.4 51 58 A T E -bc 7 80A 0 28,-2.5 30,-2.5 -2,-0.5 -43,-0.2 -0.965 35.0-112.9-132.3 146.9 24.6 12.2 19.6 52 59 A E E - c 0 81A 21 -45,-2.2 30,-0.2 -2,-0.4 3,-0.2 -0.496 28.6-143.6 -66.3 140.6 23.8 9.4 22.0 53 60 A A S S+ 0 0 2 28,-2.8 7,-2.8 1,-0.2 2,-0.9 0.949 85.2 44.8 -75.1 -50.7 22.6 6.4 19.9 54 61 A N + 0 0 50 27,-0.3 -1,-0.2 5,-0.2 5,-0.1 -0.810 69.7 155.1-103.4 99.2 19.9 5.1 22.2 55 62 A M - 0 0 13 -2,-0.9 -22,-0.0 -3,-0.2 -47,-0.0 -0.950 45.8-105.5-120.2 140.8 17.7 7.8 23.5 56 63 A P S S+ 0 0 95 0, 0.0 2,-2.5 0, 0.0 -2,-0.0 -0.305 96.3 0.2 -64.9 149.9 14.1 7.3 24.7 57 64 A K S S+ 0 0 204 -23,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.438 139.3 36.2 73.2 -71.7 11.3 8.5 22.5 58 65 A I S S- 0 0 54 -2,-2.5 -24,-0.4 4,-0.0 -23,-0.1 -0.955 81.8-155.9-118.3 117.9 13.6 9.9 19.8 59 66 A S > - 0 0 19 -2,-0.5 4,-2.3 -5,-0.1 -5,-0.2 -0.259 32.5-104.8 -86.2 172.7 16.8 8.0 19.1 60 67 A G H > S+ 0 0 0 -7,-2.8 4,-2.6 1,-0.2 -7,-0.1 0.846 124.5 53.4 -64.3 -33.8 20.2 9.0 17.6 61 68 A M H > S+ 0 0 48 -8,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.856 107.4 50.9 -68.9 -34.3 19.1 7.3 14.4 62 69 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 111.5 47.7 -67.6 -41.9 15.9 9.3 14.4 63 70 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.928 109.5 53.4 -63.5 -46.1 17.9 12.5 14.9 64 71 A F H X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.934 111.6 45.5 -54.4 -48.5 20.3 11.5 12.1 65 72 A N H X S+ 0 0 84 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.885 111.1 52.3 -64.2 -39.7 17.3 11.0 9.7 66 73 A S H >< S+ 0 0 49 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.883 106.7 53.2 -64.4 -38.4 15.7 14.3 10.7 67 74 A L H >< S+ 0 0 3 -4,-2.5 3,-1.0 1,-0.3 6,-0.3 0.823 102.0 60.2 -65.2 -30.6 18.9 16.2 10.0 68 75 A K H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.669 94.8 65.5 -71.8 -14.8 19.0 14.6 6.6 69 76 A K T << S+ 0 0 177 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.622 92.1 66.7 -83.8 -13.1 15.6 16.3 5.8 70 77 A N S X> S- 0 0 51 -3,-1.0 4,-2.2 -4,-0.3 3,-1.3 -0.939 72.7-145.2-113.9 123.0 16.9 19.9 6.0 71 78 A P T 34 S+ 0 0 117 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.773 99.9 61.5 -54.1 -27.2 19.4 21.1 3.3 72 79 A Q T 34 S+ 0 0 117 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.859 120.8 20.9 -69.3 -33.3 21.1 23.2 6.0 73 80 A T T X4 S+ 0 0 2 -3,-1.3 3,-1.4 -6,-0.3 -1,-0.2 0.493 93.5 99.2-114.1 -6.2 22.0 20.2 8.1 74 81 A A T 3< S+ 0 0 25 -4,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.676 91.2 40.0 -57.5 -24.0 21.9 17.3 5.7 75 82 A S T 3 S+ 0 0 119 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.427 82.9 116.8-106.8 -0.4 25.7 17.2 5.1 76 83 A I S < S- 0 0 17 -3,-1.4 -28,-0.1 -9,-0.1 -29,-0.1 -0.500 72.1-114.6 -68.2 130.8 26.9 17.9 8.7 77 84 A P - 0 0 13 0, 0.0 -28,-2.6 0, 0.0 2,-0.4 -0.395 29.3-154.8 -68.8 144.9 28.9 14.9 9.9 78 85 A V E -c 49 0A 2 19,-0.3 21,-2.2 -30,-0.2 22,-0.9 -0.980 6.2-161.7-126.4 127.3 27.4 13.0 12.8 79 86 A I E -cd 50 100A 0 -30,-3.2 -28,-2.5 -2,-0.4 2,-0.4 -0.887 15.8-139.8-105.0 134.2 29.3 10.8 15.4 80 87 A A E -cd 51 101A 0 20,-2.5 22,-3.1 -2,-0.4 2,-0.5 -0.789 11.1-163.9 -97.5 139.3 27.4 8.3 17.4 81 88 A L E -cd 52 102A 0 -30,-2.5 -28,-2.8 -2,-0.4 2,-0.4 -0.979 16.0-178.3-117.8 126.9 28.1 7.7 21.1 82 89 A S E - d 0 103A 0 20,-2.1 22,-2.9 -2,-0.5 -30,-0.0 -0.986 34.4-161.2-138.6 137.7 26.7 4.5 22.6 83 90 A G S S+ 0 0 59 -2,-0.4 -1,-0.1 20,-0.2 20,-0.1 0.422 100.2 45.7 -86.6 -0.5 26.7 2.8 25.9 84 91 A R S S+ 0 0 183 2,-0.1 -1,-0.1 5,-0.0 19,-0.1 0.806 71.3 173.6-103.1 -59.7 25.9 -0.5 24.3 85 92 A A + 0 0 18 1,-0.1 2,-0.1 17,-0.1 18,-0.1 0.876 9.2 173.2 52.3 47.3 28.3 -0.7 21.4 86 93 A T > - 0 0 79 1,-0.1 4,-2.5 148,-0.0 5,-0.2 -0.430 46.3-112.1 -74.4 162.4 27.6 -4.2 20.2 87 94 A A H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 120.2 52.3 -63.2 -38.4 29.4 -5.1 17.0 88 95 A K H > S+ 0 0 156 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 109.5 47.5 -66.0 -38.3 26.0 -5.2 15.3 89 96 A E H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.936 111.8 50.3 -68.6 -45.0 25.0 -1.7 16.6 90 97 A E H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.950 113.3 46.0 -56.3 -50.8 28.3 -0.2 15.5 91 98 A A H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.902 111.4 52.3 -60.6 -42.7 28.0 -1.7 12.0 92 99 A Q H X S+ 0 0 96 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.929 112.3 44.2 -60.6 -45.9 24.4 -0.6 11.7 93 100 A L H X>S+ 0 0 2 -4,-2.6 5,-2.0 2,-0.2 4,-1.0 0.936 115.9 46.4 -66.2 -45.4 25.1 3.0 12.6 94 101 A L H ><5S+ 0 0 0 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 0.914 111.1 52.9 -62.4 -41.0 28.2 3.2 10.4 95 102 A D H 3<5S+ 0 0 79 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.844 105.1 56.9 -62.5 -32.7 26.3 1.6 7.5 96 103 A M H 3<5S- 0 0 60 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.711 128.7 -92.6 -68.0 -29.4 23.6 4.2 7.9 97 104 A G T <<5S+ 0 0 40 -4,-1.0 -19,-0.3 -3,-0.8 -3,-0.2 0.404 70.2 151.2 128.4 -2.0 26.0 7.1 7.4 98 105 A F < - 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