==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 26-JUN-03 1PV0 . COMPND 2 MOLECULE: SDA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.L.ROWLAND,W.F.BURKHOLDER,M.W.MACIEJEWSKI,A.D.GROSSMAN, . 46 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 69.6 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 . 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 . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 6.5 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 1 1 0 0 0 0 0 0 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 . 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 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 92 0, 0.0 3,-0.2 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -56.3 10.9 -5.3 -3.1 2 2 A R + 0 0 238 1,-0.3 2,-0.4 30,-0.0 0, 0.0 0.929 360.0 20.2 -81.9 -51.0 12.0 -8.7 -4.4 3 3 A K S S+ 0 0 198 2,-0.0 -1,-0.3 6,-0.0 2,-0.3 -0.981 80.2 123.7-127.0 124.1 12.5 -10.5 -1.1 4 4 A L - 0 0 50 -2,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.918 57.4 -92.8-173.6 147.4 11.0 -9.5 2.2 5 5 A S > - 0 0 57 -2,-0.3 4,-3.7 1,-0.1 3,-0.3 -0.285 33.8-121.7 -64.5 150.2 8.8 -10.8 5.0 6 6 A D H > S+ 0 0 62 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.835 114.8 58.7 -61.8 -31.0 5.0 -10.2 4.7 7 7 A E H > S+ 0 0 153 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.896 114.5 34.8 -65.0 -40.1 5.3 -8.4 8.1 8 8 A L H > S+ 0 0 114 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.876 118.9 50.8 -81.0 -40.2 7.8 -5.9 6.6 9 9 A L H X S+ 0 0 1 -4,-3.7 4,-1.6 2,-0.2 -2,-0.2 0.918 117.9 39.7 -62.8 -42.8 6.2 -5.9 3.1 10 10 A I H X S+ 0 0 13 -4,-3.0 4,-3.2 -5,-0.3 5,-0.2 0.853 110.1 59.9 -74.5 -34.2 2.8 -5.2 4.7 11 11 A E H X S+ 0 0 88 -4,-1.3 4,-2.9 -5,-0.3 -2,-0.2 0.812 104.9 51.5 -62.5 -28.8 4.4 -2.9 7.2 12 12 A S H X S+ 0 0 21 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.934 112.0 43.8 -73.2 -46.5 5.6 -0.8 4.2 13 13 A Y H X S+ 0 0 33 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.893 120.0 43.7 -63.7 -40.1 2.1 -0.7 2.8 14 14 A F H X S+ 0 0 80 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.933 116.3 45.8 -70.6 -47.6 0.7 0.1 6.2 15 15 A K H X S+ 0 0 109 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.912 111.3 53.3 -61.4 -44.6 3.4 2.6 7.1 16 16 A A H X>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 4,-1.7 0.857 106.4 52.5 -60.2 -37.3 3.1 4.3 3.7 17 17 A T H <5S+ 0 0 71 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.838 112.2 46.3 -68.2 -32.5 -0.6 4.7 4.2 18 18 A E H <5S+ 0 0 172 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.904 121.1 35.4 -75.5 -44.3 -0.0 6.4 7.6 19 19 A M H <5S- 0 0 100 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.609 109.8-119.7 -84.4 -14.7 2.8 8.7 6.4 20 20 A N T <5 - 0 0 136 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.863 42.9-169.9 75.9 38.1 1.1 9.2 2.9 21 21 A L < - 0 0 44 -5,-2.3 5,-0.1 -6,-0.2 -1,-0.1 -0.128 39.4 -63.1 -57.6 156.1 4.1 7.7 1.1 22 22 A N >> - 0 0 106 1,-0.1 4,-2.2 3,-0.1 3,-0.8 -0.037 44.6-124.1 -42.8 138.7 4.3 8.1 -2.7 23 23 A R H 3> S+ 0 0 188 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.786 110.1 63.7 -58.2 -28.9 1.4 6.2 -4.5 24 24 A D H 3> S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.890 106.9 41.3 -64.5 -38.9 4.1 4.4 -6.5 25 25 A F H <> S+ 0 0 56 -3,-0.8 4,-3.5 2,-0.2 5,-0.3 0.910 115.5 50.5 -73.8 -42.5 5.4 2.7 -3.3 26 26 A I H X S+ 0 0 31 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.907 117.8 39.4 -60.4 -43.4 1.9 2.2 -2.0 27 27 A E H X S+ 0 0 115 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.847 115.5 53.2 -75.0 -34.7 0.9 0.6 -5.2 28 28 A L H X S+ 0 0 65 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.938 112.7 42.6 -65.3 -47.6 4.2 -1.2 -5.6 29 29 A I H X S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.839 118.1 47.4 -67.9 -32.0 3.9 -2.7 -2.1 30 30 A E H X S+ 0 0 30 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.827 106.9 56.9 -76.7 -33.2 0.3 -3.5 -2.8 31 31 A N H X S+ 0 0 97 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.812 111.3 43.4 -67.6 -30.1 1.1 -5.0 -6.2 32 32 A E H X S+ 0 0 63 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.913 115.7 46.3 -80.3 -45.3 3.5 -7.5 -4.6 33 33 A I H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 6,-0.2 0.828 113.7 52.0 -64.6 -31.9 1.1 -8.3 -1.7 34 34 A K H ><5S+ 0 0 101 -4,-2.3 3,-1.4 1,-0.2 5,-0.3 0.941 112.6 42.2 -70.3 -48.0 -1.7 -8.6 -4.4 35 35 A R H 3<5S+ 0 0 227 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.746 108.7 62.6 -69.5 -23.1 0.3 -11.0 -6.5 36 36 A R T 3<5S- 0 0 121 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.344 114.7-116.3 -83.5 6.4 1.4 -12.8 -3.3 37 37 A S T < 5S+ 0 0 108 -3,-1.4 -3,-0.2 1,-0.1 3,-0.1 0.856 88.2 114.1 61.0 34.1 -2.3 -13.7 -2.6 38 38 A L >>< + 0 0 28 -5,-2.9 3,-0.7 -6,-0.1 4,-0.7 -0.005 25.1 117.7-123.0 26.0 -2.0 -11.5 0.5 39 39 A G T 34>S+ 0 0 8 -5,-0.3 5,-0.6 1,-0.2 7,-0.1 0.579 70.3 64.4 -71.0 -7.7 -4.5 -8.8 -0.5 40 40 A H T 345S+ 0 0 141 1,-0.2 -1,-0.2 -7,-0.2 4,-0.2 0.817 92.2 60.9 -82.8 -31.5 -6.6 -9.8 2.5 41 41 A I T <45S+ 0 0 75 -3,-0.7 -2,-0.2 -8,-0.1 -1,-0.2 0.844 100.6 69.1 -61.2 -34.0 -3.9 -8.7 4.9 42 42 A I T <5S- 0 0 6 -4,-0.7 2,-2.0 1,-0.1 -32,-0.0 -0.336 105.2 -98.2 -81.5 165.9 -4.2 -5.2 3.5 43 43 A S T 5S+ 0 0 122 -2,-0.1 2,-0.3 2,-0.1 -3,-0.1 -0.366 84.7 119.2 -82.7 58.7 -7.2 -2.9 4.0 44 44 A V < - 0 0 51 -2,-2.0 2,-0.8 -5,-0.6 0, 0.0 -0.843 67.3-123.8-123.0 160.6 -8.6 -3.9 0.5 45 45 A S 0 0 112 -2,-0.3 -5,-0.1 1,-0.1 -2,-0.1 -0.785 360.0 360.0-107.8 89.4 -11.8 -5.5 -0.7 46 46 A S 0 0 128 -2,-0.8 -1,-0.1 -7,-0.1 -6,-0.1 0.155 360.0 360.0 -87.1 360.0 -10.7 -8.6 -2.7