==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RESPONSE REGULATOR 15-FEB-00 1DZ3 . COMPND 2 MOLECULE: STAGE 0 SPORULATION PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR R.J.LEWIS,J.A.BRANNIGAN,K.MUCHOVA,G.LEONARD,I.BARAK, . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 20.3 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 . 12 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 1 2 1 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 1 2 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 . 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 2 A S 0 0 96 0, 0.0 2,-0.5 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 101.9 2.8 13.5 20.6 2 3 A I E -a 27 0A 65 24,-3.1 26,-2.6 46,-0.1 2,-0.6 -0.625 360.0-141.3 -71.9 120.3 6.5 14.1 19.8 3 4 A K E -a 28 0A 86 -2,-0.5 47,-2.0 24,-0.2 46,-1.6 -0.785 21.6-169.6 -93.5 123.1 7.4 17.4 21.3 4 5 A V E -ab 29 50A 2 24,-3.0 26,-2.6 -2,-0.6 27,-0.9 -0.902 14.0-167.6-116.2 135.3 9.8 19.5 19.1 5 6 A C E -ab 31 51A 0 45,-2.5 47,-2.6 -2,-0.4 2,-0.4 -0.889 13.2-151.8-115.6 142.9 11.8 22.7 19.8 6 7 A I E +ab 32 52A 0 25,-1.7 27,-2.1 -2,-0.3 2,-0.4 -0.990 14.8 177.3-116.8 134.2 13.5 24.6 16.9 7 8 A A E +ab 33 53A 0 45,-2.6 47,-2.4 -2,-0.4 2,-0.3 -0.926 25.6 124.7-139.9 112.4 16.7 26.8 17.3 8 9 A D - 0 0 5 25,-2.3 6,-0.1 -2,-0.4 49,-0.1 -0.966 54.2-132.1-161.1 149.6 18.2 28.5 14.2 9 10 A D S S+ 0 0 71 -2,-0.3 2,-0.8 4,-0.0 25,-0.1 0.538 82.1 94.0 -94.8 5.2 19.1 32.0 13.2 10 11 A N > - 0 0 80 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.790 60.1-164.2 -93.9 108.0 17.4 32.0 9.8 11 12 A R H > S+ 0 0 160 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.857 87.0 53.3 -62.6 -38.6 14.0 33.4 10.5 12 13 A E H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 110.7 47.5 -60.2 -44.2 12.5 32.2 7.3 13 14 A L H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 109.2 52.7 -65.5 -41.4 13.7 28.7 8.0 14 15 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.916 109.5 50.6 -60.7 -40.0 12.3 28.7 11.6 15 16 A S H X S+ 0 0 65 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.941 111.9 45.9 -63.8 -44.0 8.9 29.8 10.2 16 17 A L H X S+ 0 0 81 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.895 112.4 50.8 -64.3 -47.3 8.8 27.0 7.6 17 18 A L H X S+ 0 0 20 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.919 109.6 50.6 -57.0 -43.0 10.0 24.4 10.1 18 19 A D H X S+ 0 0 63 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.962 113.3 45.9 -59.9 -46.1 7.3 25.4 12.6 19 20 A E H X S+ 0 0 130 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.950 115.7 45.4 -62.1 -47.5 4.7 25.2 9.9 20 21 A Y H < S+ 0 0 137 -4,-3.1 4,-0.5 2,-0.2 -1,-0.2 0.932 115.9 43.9 -62.2 -52.7 5.9 21.8 8.6 21 22 A I H >< S+ 0 0 13 -4,-2.7 3,-1.5 -5,-0.3 6,-0.2 0.950 111.7 54.8 -62.0 -38.0 6.3 20.1 12.0 22 23 A S H 3< S+ 0 0 63 -4,-2.6 -2,-0.2 -5,-0.4 -1,-0.2 0.857 101.0 59.5 -67.8 -30.6 3.0 21.5 13.2 23 24 A S T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.596 83.9 97.6 -69.3 -14.0 1.2 20.0 10.2 24 25 A Q S X S- 0 0 53 -3,-1.5 3,-1.1 -4,-0.5 -3,-0.0 -0.652 72.9-141.4 -76.9 132.8 2.3 16.5 11.3 25 26 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.752 97.9 44.4 -64.6 -25.3 -0.4 14.7 13.2 26 27 A D T 3 S+ 0 0 85 -25,-0.1 -24,-3.1 -3,-0.0 2,-0.3 0.267 106.9 68.3-101.7 4.1 2.0 13.0 15.7 27 28 A M E < -a 2 0A 52 -3,-1.1 2,-0.4 -6,-0.2 -24,-0.2 -0.951 55.0-165.7-127.7 156.9 4.2 16.0 16.4 28 29 A E E -a 3 0A 98 -26,-2.6 -24,-3.0 -2,-0.3 2,-0.6 -1.000 19.3-133.3-139.0 138.3 3.9 19.4 18.2 29 30 A V E +a 4 0A 33 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.778 26.3 171.0 -89.0 118.5 6.1 22.5 18.2 30 31 A I E - 0 0 34 -26,-2.6 2,-0.3 -2,-0.6 -25,-0.2 0.432 60.3 -4.4-110.0 -4.8 6.6 23.7 21.8 31 32 A G E -a 5 0A 9 -27,-0.9 -25,-1.7 2,-0.0 2,-0.3 -0.891 50.3-156.4-174.3 162.0 9.2 26.4 21.3 32 33 A T E -a 6 0A 55 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.955 9.8-174.1-141.3 150.3 11.5 28.2 18.9 33 34 A A E -a 7 0A 5 -27,-2.1 -25,-2.3 -2,-0.3 3,-0.0 -0.989 20.8-152.9-144.7 152.7 14.8 30.3 19.3 34 35 A Y S S+ 0 0 65 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.1 0.412 79.2 25.3-111.4 6.6 17.0 32.3 17.1 35 36 A N S > S- 0 0 48 22,-0.1 4,-1.9 1,-0.0 26,-0.1 -0.952 83.3-101.7-161.0 165.5 20.4 32.0 18.9 36 37 A G H > S+ 0 0 2 24,-0.5 4,-2.3 -2,-0.3 5,-0.2 0.873 114.2 53.7 -61.3 -42.2 22.2 29.6 21.2 37 38 A Q H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 111.3 46.3 -62.4 -42.2 21.7 31.4 24.5 38 39 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 109.3 56.1 -69.1 -35.7 17.9 31.6 24.0 39 40 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.945 107.4 48.3 -56.6 -44.9 17.9 27.9 23.0 40 41 A L H X S+ 0 0 16 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.945 110.9 51.1 -65.7 -36.5 19.5 26.9 26.3 41 42 A Q H >X S+ 0 0 105 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.919 109.8 50.8 -63.2 -44.5 17.1 29.0 28.2 42 43 A M H >X S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 3,-0.6 0.887 106.0 53.9 -58.0 -42.6 14.2 27.4 26.3 43 44 A L H 3X S+ 0 0 6 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.794 99.3 62.4 -68.3 -29.6 15.3 23.8 27.1 44 45 A E H << S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.773 116.3 30.7 -64.2 -31.3 15.5 24.5 30.8 45 46 A E H << S+ 0 0 124 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.849 124.2 38.6 -93.0 -38.4 11.7 25.2 30.8 46 47 A K H < S- 0 0 88 -4,-2.8 -3,-0.2 2,-0.0 -2,-0.1 0.619 71.6-155.5-100.9 -15.4 10.2 23.0 28.1 47 48 A R < - 0 0 147 -4,-1.0 -44,-0.1 -5,-0.3 -4,-0.1 0.906 22.7-167.0 39.0 67.1 11.9 19.6 28.0 48 49 A P - 0 0 8 0, 0.0 -44,-0.2 0, 0.0 3,-0.1 -0.322 26.9-134.0 -73.4 160.9 11.2 18.7 24.4 49 50 A D S S+ 0 0 80 -46,-1.6 29,-2.3 1,-0.2 2,-0.4 0.712 92.6 29.0 -76.0 -35.6 11.7 15.1 23.0 50 51 A I E -bc 4 78A 35 -47,-2.0 -45,-2.5 27,-0.2 2,-0.5 -0.999 63.4-164.4-134.3 133.5 13.5 16.6 19.9 51 52 A L E -bc 5 79A 0 27,-2.3 29,-2.8 -2,-0.4 2,-0.6 -0.985 9.1-155.3-116.9 122.8 15.6 19.7 19.3 52 53 A L E -bc 6 80A 17 -47,-2.6 -45,-2.6 -2,-0.5 2,-0.5 -0.893 27.6-175.1 -92.2 115.7 16.2 20.8 15.7 53 54 A L E -bc 7 81A 0 27,-2.5 29,-2.5 -2,-0.6 -45,-0.2 -0.960 28.0-123.6-126.4 131.6 19.5 22.8 16.0 54 55 A D E - c 0 82A 12 -47,-2.4 29,-0.1 -2,-0.5 8,-0.1 -0.444 19.0-146.1 -66.8 127.1 21.5 24.9 13.5 55 56 A I S S+ 0 0 0 27,-1.9 7,-1.6 -2,-0.2 8,-0.8 0.867 81.8 36.7 -66.1 -37.6 25.0 23.6 13.4 56 57 A I + 0 0 65 26,-0.3 -1,-0.2 5,-0.2 5,-0.1 -0.968 64.3 148.2-122.2 125.2 26.7 26.9 12.8 57 58 A M - 0 0 9 -2,-0.5 -22,-0.1 -49,-0.1 2,-0.0 -0.963 52.5 -90.2-144.9 148.5 25.6 30.3 14.3 58 59 A P S S- 0 0 87 0, 0.0 2,-2.1 0, 0.0 -2,-0.0 -0.310 100.1 -2.4 -59.8 151.8 27.9 33.3 15.3 59 60 A H S S+ 0 0 199 -23,-0.1 2,-0.4 -2,-0.0 0, 0.0 -0.247 139.6 32.8 70.0 -57.1 29.3 33.4 18.8 60 61 A L S S- 0 0 29 -2,-2.1 -24,-0.5 4,-0.0 -23,-0.1 -0.932 83.0-168.4-131.4 100.4 27.7 30.2 20.2 61 62 A D > - 0 0 47 -2,-0.4 4,-2.7 -5,-0.1 -5,-0.2 -0.189 39.2 -91.7 -88.4-178.7 27.3 27.6 17.5 62 63 A G H > S+ 0 0 0 -7,-1.6 4,-2.3 2,-0.2 -6,-0.2 0.883 125.5 52.8 -65.8 -34.7 25.3 24.4 17.5 63 64 A L H > S+ 0 0 17 -8,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.926 109.3 49.5 -69.3 -35.2 28.3 22.3 18.7 64 65 A A H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 112.2 49.0 -68.5 -39.1 28.8 24.7 21.7 65 66 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.927 110.3 50.1 -61.0 -45.5 25.1 24.5 22.5 66 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.908 108.3 52.8 -61.2 -41.2 25.2 20.6 22.3 67 68 A E H X S+ 0 0 106 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 110.0 48.9 -60.6 -38.7 28.2 20.6 24.7 68 69 A R H X S+ 0 0 144 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.887 109.0 52.6 -69.8 -35.5 26.3 22.7 27.2 69 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.965 114.0 42.5 -62.4 -44.2 23.3 20.4 26.9 70 71 A R H < S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 119.3 43.5 -74.8 -32.4 25.4 17.3 27.7 71 72 A A H < S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.700 127.7 21.6 -88.0 -19.8 27.5 19.0 30.5 72 73 A G H < S+ 0 0 65 -4,-2.2 2,-0.4 -5,-0.2 -3,-0.2 0.510 99.2 84.5-125.1 -4.9 24.8 20.8 32.4 73 74 A F < - 0 0 36 -4,-1.6 3,-0.1 -5,-0.4 -29,-0.0 -0.855 46.0-165.0-107.9 139.3 21.3 19.4 31.7 74 75 A E S S+ 0 0 171 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.904 87.7 47.0 -83.3 -38.1 19.8 16.4 33.5 75 76 A H S S- 0 0 107 -32,-0.1 -1,-0.2 -31,-0.0 -28,-0.1 -0.880 77.8-174.4-106.3 121.0 17.0 16.0 31.0 76 77 A Q - 0 0 79 -2,-0.5 3,-0.0 -29,-0.1 -6,-0.0 -0.968 16.7-137.9-121.8 136.2 18.3 16.1 27.4 77 78 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.330 35.6 -98.8 -77.3 158.8 16.4 16.0 24.1 78 79 A N E -c 50 0A 119 -29,-2.3 -27,-2.3 21,-0.0 2,-0.5 -0.734 48.4-141.9 -73.5 126.3 17.5 13.9 21.2 79 80 A V E -c 51 0A 3 -2,-0.5 21,-3.0 -29,-0.2 2,-0.5 -0.832 20.0-170.1-102.0 131.9 19.3 16.5 19.1 80 81 A I E -cd 52 100A 40 -29,-2.8 -27,-2.5 -2,-0.5 21,-0.3 -0.951 19.2-141.0-117.7 115.9 19.1 16.7 15.3 81 82 A M E -cd 53 101A 0 19,-3.0 21,-2.5 -2,-0.5 2,-0.7 -0.591 9.2-134.0 -74.5 139.1 21.6 19.1 13.7 82 83 A L E -cd 54 102A 6 -29,-2.5 -27,-1.9 -2,-0.3 2,-0.5 -0.855 33.7-173.4 -88.9 110.8 20.3 21.2 10.7 83 84 A T E - d 0 103A 0 19,-2.6 21,-2.2 -2,-0.7 2,-0.1 -0.962 10.6-162.9-115.7 126.2 23.3 20.8 8.3 84 85 A A E > - d 0 104A 36 -2,-0.5 3,-2.5 19,-0.2 4,-0.2 -0.441 44.5 -69.0-102.9 167.8 23.7 22.6 4.9 85 86 A F T 3 S+ 0 0 193 19,-0.5 -1,-0.2 1,-0.3 20,-0.0 -0.251 123.9 23.9 -49.9 134.3 26.0 21.8 2.1 86 87 A G T 3 S+ 0 0 52 -3,-0.1 -1,-0.3 1,-0.0 3,-0.3 0.222 104.2 85.5 91.3 -13.0 29.6 22.4 3.1 87 88 A Q <> + 0 0 50 -3,-2.5 4,-1.9 1,-0.2 -2,-0.1 0.274 55.4 102.4-103.8 10.6 28.9 22.1 6.8 88 89 A E H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 74.9 55.7 -63.5 -44.1 29.3 18.3 7.0 89 90 A D H > S+ 0 0 118 -3,-0.3 4,-0.9 1,-0.2 3,-0.3 0.925 109.6 46.5 -58.1 -39.9 32.7 18.3 8.5 90 91 A V H > S+ 0 0 53 1,-0.2 4,-1.2 -4,-0.2 3,-0.4 0.929 107.9 57.2 -70.2 -32.5 31.6 20.4 11.5 91 92 A T H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.848 92.9 69.5 -60.4 -36.2 28.5 18.3 11.9 92 93 A K H X S+ 0 0 123 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.959 94.7 54.7 -58.4 -32.3 30.7 15.2 12.3 93 94 A K H X S+ 0 0 121 -4,-0.9 4,-1.3 -3,-0.4 -1,-0.2 0.936 108.3 49.9 -64.7 -41.3 32.0 16.5 15.8 94 95 A A H <>S+ 0 0 0 -4,-1.2 5,-2.2 2,-0.2 -1,-0.2 0.920 107.4 52.4 -65.0 -34.1 28.3 16.8 16.9 95 96 A V H ><5S+ 0 0 61 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.927 102.6 60.2 -67.1 -30.6 27.6 13.2 15.7 96 97 A E H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 104.0 51.3 -64.1 -28.3 30.6 12.2 17.8 97 98 A L T 3<5S- 0 0 69 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.248 130.5 -96.2 -91.5 10.6 28.7 13.6 20.8 98 99 A G T < 5S+ 0 0 56 -3,-2.1 -3,-0.2 1,-0.3 -19,-0.2 0.525 79.4 132.3 100.9 -3.4 25.6 11.6 19.9 99 100 A A < - 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