==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-DEC-08 2KC7 . COMPND 2 MOLECULE: BFR218_PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR A.ELETSKY,Y.WU,D.SUKUMARAN,H.LEE,D.Y.LEE,M.JIANG,E.L.FOOTE, . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 76.8 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 . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 0 0 0 0 0 1 0 0 0 2 2 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 0 220 0, 0.0 2,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-176.7 -5.1 10.7 15.9 2 2 A D > + 0 0 78 1,-0.2 3,-1.0 2,-0.1 4,-0.3 -0.602 360.0 164.1 -81.9 84.5 -5.6 8.9 12.6 3 3 A Q T >> + 0 0 112 -2,-1.7 3,-1.2 1,-0.3 4,-0.8 0.753 69.5 72.9 -71.8 -24.3 -3.9 11.4 10.2 4 4 A L H 3> S+ 0 0 7 1,-0.3 4,-3.2 -3,-0.2 -1,-0.3 0.729 77.6 78.7 -60.1 -24.8 -3.9 8.7 7.6 5 5 A K H <> S+ 0 0 111 -3,-1.0 4,-2.4 1,-0.2 -1,-0.3 0.898 90.6 52.6 -50.4 -43.9 -7.6 9.2 7.4 6 6 A T H <> S+ 0 0 79 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.911 111.6 45.9 -58.6 -43.0 -6.9 12.3 5.2 7 7 A I H X S+ 0 0 6 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.902 109.5 54.1 -66.0 -42.3 -4.7 10.1 3.0 8 8 A K H X S+ 0 0 54 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.865 108.7 50.3 -60.1 -36.9 -7.4 7.4 2.9 9 9 A E H X S+ 0 0 86 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.921 110.2 49.4 -65.0 -45.2 -9.8 10.2 1.7 10 10 A L H X>S+ 0 0 29 -4,-2.1 5,-2.5 1,-0.2 4,-1.7 0.919 108.7 52.7 -60.8 -45.2 -7.3 11.2 -1.0 11 11 A I H <5S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 5,-0.2 0.884 110.6 47.8 -59.0 -40.1 -6.9 7.6 -2.1 12 12 A N H <5S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.9 51.2 -68.5 -38.6 -10.7 7.3 -2.5 13 13 A Q H <5S- 0 0 143 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.789 119.5-108.8 -68.6 -27.3 -10.9 10.5 -4.4 14 14 A G T <5S+ 0 0 53 -4,-1.7 2,-1.0 -5,-0.2 3,-0.3 0.421 83.8 127.0 105.9 6.0 -8.2 9.5 -6.8 15 15 A D >>< + 0 0 58 -5,-2.5 4,-2.0 1,-0.2 3,-0.5 -0.282 21.9 145.8 -90.8 48.3 -5.7 11.9 -5.3 16 16 A I H 3> + 0 0 5 -2,-1.0 4,-3.9 1,-0.2 5,-0.3 0.822 61.6 62.1 -57.7 -36.3 -3.2 9.1 -4.9 17 17 A E H 3> S+ 0 0 155 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.913 109.3 40.0 -61.0 -43.8 -0.2 11.3 -5.6 18 18 A N H <> S+ 0 0 87 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.852 116.0 53.2 -71.7 -34.5 -1.0 13.6 -2.6 19 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.964 111.1 44.4 -61.5 -53.4 -1.9 10.5 -0.6 20 20 A L H X S+ 0 0 18 -4,-3.9 4,-2.8 1,-0.2 -2,-0.2 0.879 111.4 55.9 -57.7 -40.6 1.5 8.8 -1.4 21 21 A Q H X S+ 0 0 117 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.942 110.8 42.2 -58.2 -50.5 3.2 12.1 -0.7 22 22 A A H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.832 112.4 55.7 -66.9 -33.1 1.8 12.3 2.8 23 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 103.3 54.0 -64.8 -43.6 2.4 8.6 3.3 24 24 A E H X S+ 0 0 98 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.888 112.2 45.4 -55.1 -41.2 6.1 9.1 2.4 25 25 A E H >X S+ 0 0 130 -4,-1.5 3,-1.0 1,-0.2 4,-0.5 0.919 109.6 54.2 -67.8 -45.0 6.1 11.8 5.2 26 26 A F H >X S+ 0 0 14 -4,-2.6 3,-1.3 1,-0.3 4,-0.8 0.846 99.3 62.7 -59.8 -36.4 4.2 9.5 7.6 27 27 A L H 3< S+ 0 0 24 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.842 104.0 49.1 -57.2 -32.6 6.8 6.8 7.1 28 28 A Q H << S+ 0 0 171 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.570 114.3 43.4 -87.6 -10.1 9.4 9.1 8.6 29 29 A T H << S+ 0 0 90 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.351 105.7 66.0-117.1 3.6 7.4 10.1 11.6 30 30 A E < - 0 0 61 -4,-0.8 4,-0.3 -3,-0.3 -1,-0.2 -0.939 51.2-173.0-135.2 110.8 6.0 6.7 12.6 31 31 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.816 93.1 9.3 -63.4 -34.2 8.2 3.8 13.9 32 32 A V S > S+ 0 0 91 2,-0.1 3,-1.6 1,-0.0 4,-0.2 0.711 112.5 73.6-122.2 -34.1 5.3 1.3 13.9 33 33 A G T >> S+ 0 0 16 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.436 72.3 92.8 -71.4 4.0 2.3 2.8 12.2 34 34 A K H 3> S+ 0 0 52 -4,-0.3 4,-3.7 1,-0.2 -1,-0.3 0.718 71.4 70.0 -68.2 -20.8 4.0 2.4 8.8 35 35 A D H <> S+ 0 0 31 -3,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.903 104.0 40.7 -65.8 -38.8 2.3 -1.0 8.4 36 36 A E H <> S+ 0 0 74 -3,-0.5 4,-2.1 -4,-0.2 -1,-0.2 0.862 115.7 53.5 -72.6 -35.6 -1.0 0.7 8.0 37 37 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.959 108.2 47.0 -62.6 -52.8 0.8 3.3 5.8 38 38 A Y H X S+ 0 0 43 -4,-3.7 4,-3.1 1,-0.2 5,-0.2 0.856 109.9 55.7 -59.1 -36.4 2.3 0.8 3.5 39 39 A Y H X S+ 0 0 68 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.937 110.9 43.8 -59.0 -47.1 -1.1 -0.9 3.2 40 40 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 112.9 52.4 -65.0 -41.8 -2.5 2.4 2.1 41 41 A M H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.955 112.5 43.9 -59.5 -51.5 0.4 3.0 -0.3 42 42 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.863 112.6 53.1 -61.5 -36.2 -0.0 -0.4 -1.9 43 43 A N H X S+ 0 0 29 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.867 107.8 51.6 -67.5 -36.3 -3.8 0.2 -2.0 44 44 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.929 111.9 45.3 -64.4 -46.9 -3.2 3.5 -3.7 45 45 A Y H X>S+ 0 0 38 -4,-2.4 4,-2.7 1,-0.2 5,-1.2 0.881 109.1 56.6 -63.6 -38.3 -1.0 1.8 -6.3 46 46 A R H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 107.0 50.0 -63.7 -28.4 -3.6 -1.0 -6.7 47 47 A K H <5S+ 0 0 95 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.829 110.6 49.6 -75.2 -34.6 -6.1 1.8 -7.5 48 48 A L H <5S- 0 0 108 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.891 116.0-114.5 -70.2 -40.7 -3.7 3.2 -10.1 49 49 A G T <5S+ 0 0 35 -4,-2.7 2,-1.1 1,-0.3 -3,-0.2 0.280 75.2 128.3 120.6 -7.6 -3.1 -0.1 -11.7 50 50 A D >< + 0 0 75 -5,-1.2 4,-1.2 1,-0.2 -1,-0.3 -0.714 30.0 177.2 -82.2 102.7 0.6 -0.5 -10.9 51 51 A W H > S+ 0 0 49 -2,-1.1 4,-3.1 2,-0.2 -1,-0.2 0.839 73.0 58.3 -77.9 -33.8 0.6 -4.0 -9.4 52 52 A Q H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 108.5 44.7 -64.2 -47.6 4.3 -4.2 -8.8 53 53 A K H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 114.1 52.1 -63.1 -36.1 4.4 -1.0 -6.7 54 54 A A H X S+ 0 0 0 -4,-1.2 4,-3.1 2,-0.2 5,-0.2 0.943 109.4 48.5 -63.4 -48.7 1.4 -2.4 -4.9 55 55 A L H X S+ 0 0 1 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.919 111.6 49.4 -56.8 -48.4 3.1 -5.7 -4.2 56 56 A N H X S+ 0 0 75 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.885 114.3 44.5 -61.9 -40.6 6.2 -4.0 -2.9 57 57 A N H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.906 114.6 48.2 -73.3 -40.7 4.3 -1.8 -0.6 58 58 A Y H X S+ 0 0 3 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.927 111.8 51.6 -60.3 -44.3 2.0 -4.6 0.6 59 59 A Q H X S+ 0 0 59 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.907 106.1 54.0 -58.2 -43.9 5.2 -6.7 1.1 60 60 A S H X S+ 0 0 35 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.864 110.0 47.3 -60.5 -37.0 6.7 -3.9 3.2 61 61 A A H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.908 111.7 50.3 -69.2 -42.3 3.6 -3.9 5.4 62 62 A I H < S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 107.1 55.0 -60.9 -40.0 3.8 -7.7 5.7 63 63 A E H < S+ 0 0 138 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.824 114.7 39.8 -66.2 -31.8 7.5 -7.4 6.7 64 64 A L H < S+ 0 0 72 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.953 137.0 9.6 -78.4 -57.0 6.6 -5.1 9.5 65 65 A N >< - 0 0 58 -4,-3.3 3,-1.7 -5,-0.1 -1,-0.3 -0.930 54.1-171.7-129.4 108.3 3.4 -6.8 10.6 66 66 A P T 3 S+ 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.458 91.6 66.5 -70.4 -0.1 2.5 -10.3 9.2 67 67 A D T 3 S+ 0 0 155 -5,-0.1 -5,-0.1 4,-0.0 -2,-0.0 0.473 80.4 106.9 -96.5 -6.2 -0.7 -9.7 11.1 68 68 A S S X S- 0 0 11 -3,-1.7 3,-1.1 -7,-0.2 4,-0.3 -0.250 83.2-117.3 -72.3 160.0 -1.7 -6.8 8.8 69 69 A P T 3> S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.525 100.0 91.4 -72.0 -3.8 -4.4 -7.1 6.1 70 70 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 -5,-0.2 5,-0.2 0.729 75.6 63.4 -66.6 -22.2 -1.6 -6.5 3.5 71 71 A L H <> S+ 0 0 47 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.967 108.7 37.9 -64.4 -52.4 -1.1 -10.2 3.3 72 72 A Q H > S+ 0 0 123 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.847 116.9 54.3 -67.7 -33.4 -4.6 -10.8 1.9 73 73 A A H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.884 108.6 46.8 -68.4 -40.4 -4.3 -7.6 -0.1 74 74 A R H X S+ 0 0 39 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 113.0 49.5 -68.8 -40.0 -1.0 -8.7 -1.7 75 75 A K H X S+ 0 0 119 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.829 106.6 57.7 -65.4 -32.7 -2.6 -12.1 -2.5 76 76 A M H X S+ 0 0 72 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.954 110.7 41.4 -59.5 -50.8 -5.5 -10.2 -4.0 77 77 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.884 111.7 57.0 -65.0 -39.4 -3.2 -8.4 -6.4 78 78 A M H X S+ 0 0 20 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.901 104.4 52.5 -58.0 -43.6 -1.3 -11.7 -7.0 79 79 A D H X S+ 0 0 115 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.917 111.1 46.5 -58.4 -44.9 -4.6 -13.3 -8.1 80 80 A I H X S+ 0 0 41 -4,-1.7 4,-1.5 2,-0.2 3,-0.3 0.914 113.9 47.9 -65.3 -43.0 -5.2 -10.5 -10.6 81 81 A L H X S+ 0 0 8 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.888 106.9 56.5 -63.4 -39.9 -1.6 -10.7 -11.8 82 82 A N H < S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.786 106.7 51.4 -62.2 -28.0 -1.9 -14.5 -12.1 83 83 A F H < S+ 0 0 169 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.845 116.5 40.8 -74.9 -35.5 -4.9 -13.8 -14.4 84 84 A Y H < S- 0 0 138 -4,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.983 122.8 -41.0 -75.6 -77.5 -2.8 -11.4 -16.5 85 85 A N < - 0 0 73 -4,-1.6 -1,-0.3 1,-0.0 3,-0.1 -0.986 25.5-149.9-157.5 157.3 0.6 -12.9 -17.0 86 86 A K > + 0 0 89 -2,-0.3 4,-2.8 2,-0.1 5,-0.3 0.336 69.3 107.0-112.8 2.8 3.5 -14.7 -15.3 87 87 A D T 4 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.2 4,-0.0 0.860 99.5 21.0 -52.9 -41.5 6.3 -13.3 -17.3 88 88 A M T > S+ 0 0 47 2,-0.1 4,-1.2 -3,-0.1 3,-0.4 0.571 117.9 69.2-100.0 -12.4 7.4 -11.1 -14.4 89 89 A Y H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.886 92.5 55.9 -76.2 -38.5 5.7 -13.3 -11.8 90 90 A N H < S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.634 107.2 53.4 -67.4 -14.7 8.1 -16.2 -12.3 91 91 A Q H 4 S+ 0 0 157 -3,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.807 111.2 43.5 -88.3 -35.4 10.9 -13.8 -11.5 92 92 A L H < S+ 0 0 75 -4,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.977 135.9 0.8 -72.0 -59.9 9.3 -12.5 -8.2 93 93 A E < - 0 0 69 -4,-2.5 -1,-0.3 2,-0.1 -2,-0.1 -0.977 54.3-159.3-136.5 122.3 8.3 -15.9 -6.9 94 94 A H + 0 0 140 -2,-0.4 3,-0.4 -3,-0.2 2,-0.2 0.209 68.8 101.9 -81.8 17.2 8.9 -19.2 -8.7 95 95 A H S S+ 0 0 137 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.649 70.1 28.6-104.3 158.7 6.1 -20.7 -6.6 96 96 A H S S+ 0 0 130 -2,-0.2 2,-1.5 1,-0.2 -1,-0.2 0.593 79.1 144.2 66.8 12.2 2.5 -21.4 -7.5 97 97 A H + 0 0 88 -3,-0.4 2,-0.4 -7,-0.1 -1,-0.2 -0.646 22.1 161.3 -83.2 88.1 3.9 -21.9 -11.0 98 98 A H 0 0 174 -2,-1.5 -3,-0.0 -3,-0.1 0, 0.0 -0.896 360.0 360.0-115.0 142.5 1.6 -24.7 -12.2 99 99 A H 0 0 220 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.820 360.0 360.0-120.8 360.0 0.9 -25.8 -15.7