==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN, MOTOR PROTEIN 13-AUG-09 3A5X . COMPND 2 MOLECULE: FLAGELLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.MAKI-YONEKURA,K.YONEKURA,K.NAMBA . 494 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 81.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 2 2 2 0 1 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 . 2 0 0 0 1 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 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 A 0 0 137 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 -12.6 -25.3 67.1 2 2 A Q >> + 0 0 127 1,-0.1 3,-2.1 2,-0.1 4,-0.7 0.097 360.0 139.2-127.8 27.8 -13.4 -26.0 63.5 3 3 A V H 3> + 0 0 83 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.762 64.5 83.4 -41.0 -30.9 -14.5 -22.7 61.8 4 4 A I H 3> S+ 0 0 125 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.868 92.9 41.3 -37.4 -52.6 -12.4 -23.9 58.9 5 5 A N H <> S+ 0 0 102 -3,-2.1 4,-3.2 2,-0.2 5,-0.2 0.936 109.5 56.2 -71.1 -48.0 -15.2 -26.1 57.5 6 6 A T H X S+ 0 0 93 -4,-0.7 4,-1.5 2,-0.2 3,-0.3 0.958 119.0 33.6 -51.8 -56.5 -18.0 -23.7 58.0 7 7 A N H X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.961 116.3 56.0 -62.3 -50.9 -16.2 -21.1 56.0 8 8 A S H X S+ 0 0 43 -4,-3.1 4,-1.7 -5,-0.4 -1,-0.2 0.803 102.1 59.1 -48.2 -37.4 -14.7 -23.7 53.7 9 9 A L H >X S+ 0 0 108 -4,-3.2 4,-1.6 -3,-0.3 3,-0.6 0.970 106.6 45.7 -57.1 -50.9 -18.2 -24.9 53.0 10 10 A S H 3X S+ 0 0 69 -4,-1.5 4,-1.5 -3,-0.4 -2,-0.2 0.902 114.9 48.3 -59.8 -37.1 -19.0 -21.5 51.7 11 11 A L H 3X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.724 101.7 65.9 -72.8 -24.0 -15.7 -21.7 49.8 12 12 A L H X S+ 0 0 113 -4,-2.2 4,-1.7 2,-0.2 3,-0.9 0.942 108.7 48.0 -57.4 -45.8 -18.1 -25.6 42.6 17 17 A L H 3X S+ 0 0 79 -4,-2.9 4,-2.8 1,-0.3 -2,-0.3 0.867 106.5 57.0 -61.2 -35.0 -18.0 -22.3 40.8 18 18 A N H 3< S+ 0 0 50 -4,-1.8 4,-0.4 2,-0.3 -1,-0.3 0.722 104.6 51.7 -65.4 -25.6 -14.3 -23.1 40.3 19 19 A K H S+ 0 0 62 -4,-0.4 4,-2.4 2,-0.2 -2,-0.3 0.839 97.4 61.9 -74.5 -32.0 -13.3 -25.5 35.0 23 23 A A H X S+ 0 0 45 -4,-1.6 4,-3.5 1,-0.3 -2,-0.2 0.921 98.9 56.2 -57.3 -48.6 -16.1 -25.6 32.4 24 24 A L H X S+ 0 0 40 -4,-1.5 4,-2.9 2,-0.2 -1,-0.3 0.901 104.9 53.8 -50.1 -38.0 -14.4 -22.6 30.8 25 25 A G H X S+ 0 0 24 -4,-0.8 4,-2.8 2,-0.3 -2,-0.2 0.972 109.2 44.9 -62.4 -50.6 -11.4 -24.9 30.6 26 26 A T H X S+ 0 0 57 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.914 112.1 54.8 -59.7 -36.9 -13.4 -27.6 28.8 27 27 A A H X S+ 0 0 16 -4,-3.5 4,-1.9 2,-0.2 -1,-0.3 0.911 106.6 49.5 -60.7 -44.6 -14.7 -24.7 26.7 28 28 A I H X S+ 0 0 63 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.925 108.3 54.4 -60.6 -44.6 -11.1 -23.7 25.9 29 29 A E H >X S+ 0 0 122 -4,-2.8 3,-2.1 1,-0.2 4,-0.7 0.944 104.2 55.4 -52.6 -47.6 -10.5 -27.4 25.0 30 30 A R H 3< S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.909 102.0 55.7 -49.2 -54.8 -13.5 -27.1 22.6 31 31 A L H 3< S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.598 104.9 57.8 -54.3 -19.7 -11.9 -24.2 20.8 32 32 A S H << S- 0 0 103 -3,-2.1 -2,-0.2 -4,-0.7 -3,-0.1 0.889 126.8 -2.3 -74.8 -92.2 -8.8 -26.2 20.1 33 33 A S S < S- 0 0 97 -4,-0.7 2,-0.2 1,-0.2 -3,-0.1 0.990 89.3-136.5 -64.2 -88.3 -9.9 -29.4 18.2 34 34 A G + 0 0 15 -5,-0.1 2,-0.5 422,-0.1 -1,-0.2 -0.745 61.6 26.2 167.1-107.7 -13.7 -29.2 17.8 35 35 A L + 0 0 38 -2,-0.2 2,-0.3 420,-0.1 419,-0.1 -0.789 66.6 162.9 -96.5 126.5 -16.3 -32.0 18.3 36 36 A R > > - 0 0 157 -2,-0.5 5,-2.3 -3,-0.0 3,-0.6 -0.892 53.9-104.9-138.9 168.0 -15.5 -34.9 20.6 37 37 A I T 3 5S+ 0 0 121 -2,-0.3 7,-0.1 1,-0.2 -2,-0.0 0.189 96.0 95.3 -75.5 15.0 -17.0 -37.8 22.5 38 38 A N T 3 5S- 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.958 114.4 -47.4 -73.6 -55.2 -16.5 -35.7 25.7 39 39 A S T < 5S+ 0 0 89 -3,-0.6 3,-0.2 0, 0.0 -2,-0.1 0.385 131.9 58.8-153.5 -32.5 -19.9 -34.0 26.1 40 40 A A T 5S+ 0 0 44 -4,-0.3 2,-1.0 1,-0.2 3,-0.2 0.990 105.6 39.7 -72.7 -64.6 -20.8 -32.6 22.7 41 41 A K < + 0 0 45 -5,-2.3 3,-0.4 1,-0.2 -1,-0.2 -0.697 53.1 155.2 -95.9 89.1 -20.9 -35.7 20.4 42 42 A D S S+ 0 0 143 -2,-1.0 2,-2.0 -3,-0.2 3,-0.4 0.890 73.6 68.8 -71.1 -40.7 -22.4 -38.7 22.2 43 43 A D >> + 0 0 95 1,-0.2 4,-1.7 -3,-0.2 3,-0.8 -0.141 60.7 152.4 -73.5 42.2 -23.3 -40.1 18.8 44 44 A A H 3> S+ 0 0 27 -2,-2.0 4,-2.8 -3,-0.4 -1,-0.2 0.866 70.9 57.6 -38.4 -44.9 -19.6 -40.6 18.1 45 45 A A H 3> S+ 0 0 66 -3,-0.4 4,-2.4 2,-0.2 -1,-0.3 0.922 103.4 51.4 -55.0 -50.4 -20.7 -43.5 15.8 46 46 A G H <> S+ 0 0 25 -3,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.943 117.3 38.2 -53.3 -52.9 -22.8 -41.1 13.7 47 47 A Q H X S+ 0 0 18 -4,-1.7 4,-3.0 1,-0.2 -1,-0.3 0.756 107.5 64.5 -71.3 -27.1 -20.0 -38.7 13.3 48 48 A A H X S+ 0 0 21 -4,-2.8 4,-3.0 -5,-0.4 -1,-0.2 0.947 104.2 48.5 -57.4 -45.0 -17.6 -41.6 12.9 49 49 A I H X S+ 0 0 72 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 108.4 54.1 -59.8 -44.2 -19.6 -42.3 9.8 50 50 A A H X S+ 0 0 10 -4,-1.6 4,-2.6 2,-0.3 3,-0.5 0.950 109.1 46.2 -56.1 -57.6 -19.3 -38.7 8.7 51 51 A N H X S+ 0 0 89 -4,-3.0 4,-3.2 1,-0.3 5,-0.2 0.943 113.4 51.9 -48.6 -48.2 -15.5 -38.8 9.0 52 52 A R H X S+ 0 0 146 -4,-3.0 4,-1.9 1,-0.3 -1,-0.3 0.830 106.2 52.6 -57.7 -35.0 -15.8 -42.1 7.1 53 53 A F H X S+ 0 0 105 -4,-2.4 4,-1.9 -3,-0.5 -1,-0.3 0.900 110.6 47.4 -66.6 -41.3 -17.9 -40.3 4.5 54 54 A T H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.959 111.9 50.7 -61.9 -43.1 -15.1 -37.7 4.2 55 55 A A H X S+ 0 0 39 -4,-3.2 4,-2.7 1,-0.3 -1,-0.2 0.826 104.6 56.6 -59.5 -38.9 -12.7 -40.7 4.1 56 56 A N H X S+ 0 0 61 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.906 105.7 50.4 -61.0 -39.3 -15.0 -42.0 1.3 57 57 A I H X S+ 0 0 27 -4,-1.9 4,-1.4 -3,-0.3 -2,-0.2 0.827 107.8 54.4 -64.7 -36.6 -14.2 -38.7 -0.5 58 58 A K H >X S+ 0 0 121 -4,-1.9 4,-2.0 2,-0.2 3,-0.5 0.940 111.8 42.1 -60.4 -49.4 -10.6 -39.5 0.2 59 59 A G H 3X S+ 0 0 32 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.807 115.0 53.7 -66.0 -27.5 -11.1 -42.8 -1.5 60 60 A L H 3X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.3 -2,-0.2 0.643 102.1 55.0 -79.2 -22.3 -13.1 -40.9 -4.1 61 61 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 3,-0.8 0.937 98.1 61.9 -52.7 -54.4 -6.5 -49.5 -47.8 92 92 A R H 3X S+ 0 0 77 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.850 101.8 51.9 -39.7 -48.5 -10.0 -48.8 -49.2 93 93 A E H 3X S+ 0 0 93 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.3 0.902 109.0 49.9 -57.8 -44.5 -8.4 -46.5 -51.8 94 94 A L H < S+ 0 0 102 -4,-2.2 3,-1.1 1,-0.2 6,-0.2 0.798 101.7 64.5 -67.6 -33.4 -7.5 -48.9 -57.7 98 98 A S H 3< S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.3 2,-0.2 0.863 88.6 69.0 -57.9 -37.2 -6.9 -52.6 -57.9 99 99 A A T 3< S+ 0 0 85 -4,-0.9 2,-0.7 -3,-0.5 -1,-0.3 0.180 76.6 102.1 -71.0 21.9 -10.2 -53.1 -59.8 100 100 A N X - 0 0 78 -3,-1.1 3,-2.8 -2,-0.2 -1,-0.1 -0.887 61.7-156.3-113.6 99.3 -8.7 -51.3 -62.8 101 101 A S T 3 S+ 0 0 133 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.537 88.2 75.8 -46.8 -13.2 -7.6 -53.8 -65.5 102 102 A T T 3 S+ 0 0 123 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.742 75.6 90.6 -70.4 -28.7 -5.2 -51.1 -66.7 103 103 A N S < S- 0 0 40 -3,-2.8 2,-0.0 -6,-0.2 -3,-0.0 -0.608 76.0-137.7 -73.7 123.6 -2.9 -51.8 -63.8 104 104 A S > - 0 0 33 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.283 31.1 -97.9 -74.4 164.0 -0.3 -54.4 -64.7 105 105 A Q H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 127.5 55.6 -46.3 -48.2 0.6 -57.2 -62.2 106 106 A S H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 106.7 48.3 -49.2 -56.0 3.6 -55.1 -61.2 107 107 A D H > S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.936 111.1 52.1 -50.8 -49.6 1.4 -52.1 -60.4 108 108 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.3 -1,-0.3 0.857 106.8 53.0 -57.3 -37.3 -0.8 -54.5 -58.4 109 109 A D H X S+ 0 0 29 -4,-2.6 4,-2.5 2,-0.2 -1,-0.3 0.871 108.5 49.8 -66.5 -34.7 2.3 -55.6 -56.6 110 110 A S H X S+ 0 0 83 -4,-2.1 4,-2.1 -3,-0.4 -2,-0.2 0.956 110.9 48.8 -68.2 -49.2 3.1 -52.0 -55.7 111 111 A I H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 3,-0.4 0.952 113.8 47.5 -52.6 -51.0 -0.5 -51.5 -54.5 112 112 A Q H X S+ 0 0 14 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.843 104.4 60.2 -58.3 -44.1 -0.1 -54.7 -52.4 113 113 A A H X S+ 0 0 59 -4,-2.5 4,-1.7 2,-0.2 -1,-0.3 0.928 108.9 43.8 -51.3 -45.0 3.3 -53.6 -51.1 114 114 A E H X S+ 0 0 43 -4,-2.1 4,-2.4 -3,-0.4 3,-0.4 0.986 110.8 54.0 -65.1 -54.2 1.5 -50.5 -49.6 115 115 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.805 106.0 54.7 -47.4 -38.3 -1.4 -52.7 -48.3 116 116 A T H X S+ 0 0 47 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.949 107.0 47.9 -64.0 -49.5 1.2 -54.9 -46.5 117 117 A Q H X S+ 0 0 102 -4,-1.7 4,-3.3 -3,-0.4 5,-0.3 0.909 111.2 55.4 -54.2 -44.0 2.8 -52.0 -44.6 118 118 A R H X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.982 111.0 40.0 -52.3 -65.3 -0.8 -51.0 -43.8 119 119 A L H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 45,-0.3 0.847 117.4 52.4 -52.9 -39.5 -1.7 -54.3 -42.2 120 120 A N H X S+ 0 0 63 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.938 107.4 48.3 -65.1 -46.8 1.7 -54.5 -40.6 121 121 A E H X S+ 0 0 47 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.947 110.0 56.2 -58.7 -45.0 1.6 -51.0 -38.9 122 122 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.921 107.9 45.3 -51.6 -53.5 -1.8 -52.0 -37.7 123 123 A D H X S+ 0 0 65 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.848 109.9 56.1 -60.4 -38.2 -0.4 -55.1 -35.9 124 124 A R H X S+ 0 0 123 -4,-2.1 4,-0.6 2,-0.2 5,-0.3 0.970 110.3 44.4 -58.9 -50.2 2.4 -53.0 -34.6 125 125 A V H >X S+ 0 0 9 -4,-2.9 4,-3.0 1,-0.2 3,-1.5 0.966 108.9 61.4 -56.3 -50.8 -0.2 -50.6 -33.0 126 126 A S H 3< S+ 0 0 9 -4,-2.8 11,-0.5 1,-0.3 -1,-0.2 0.837 117.7 21.8 -42.0 -67.9 -2.2 -53.6 -31.7 127 127 A G H 3< S+ 0 0 40 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.232 126.5 51.1 -93.7 15.6 0.3 -55.3 -29.4 128 128 A Q H << S+ 0 0 115 -3,-1.5 -2,-0.2 -4,-0.6 2,-0.2 0.653 84.0 87.3-118.8 -34.3 2.5 -52.2 -28.8 129 129 A T < + 0 0 41 -4,-3.0 8,-0.6 -5,-0.3 2,-0.3 -0.515 60.0 152.3 -66.7 136.6 0.2 -49.4 -27.8 130 130 A Q - 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