==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 31-JAN-13 4J10 . COMPND 2 MOLECULE: SECRETED PROTEIN ESXB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.FAN,K.TAN,G.CHHOR,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTE . 170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 85.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 80.0 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 X 0 0 251 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 143.0 7.9 40.5 44.0 2 2 A A - 0 0 83 1,-0.0 3,-0.0 3,-0.0 2,-0.0 -0.868 360.0 -92.6-117.5 153.7 8.8 37.1 45.4 3 3 A E - 0 0 141 -2,-0.3 2,-0.4 1,-0.1 -1,-0.0 -0.377 52.5-104.7 -58.2 138.9 9.4 33.8 43.6 4 4 A I - 0 0 112 120,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.564 34.7-131.3 -75.8 123.5 6.1 31.8 43.5 5 5 A K - 0 0 163 -2,-0.4 2,-0.2 1,-0.1 5,-0.1 -0.471 24.4-105.7 -76.4 142.6 6.2 29.0 46.0 6 6 A I + 0 0 30 122,-0.3 -1,-0.1 -2,-0.2 3,-0.0 -0.455 48.6 160.9 -69.0 133.6 5.2 25.5 44.9 7 7 A T > - 0 0 48 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.915 55.8 -99.7-139.5 167.3 1.7 24.3 46.1 8 8 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 125.3 54.8 -57.6 -37.5 -0.6 21.6 44.8 9 9 A E H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.886 107.3 48.9 -62.4 -39.9 -2.6 24.3 43.0 10 10 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 111.9 48.5 -66.8 -42.5 0.6 25.5 41.2 11 11 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 112.2 49.3 -64.1 -38.4 1.5 22.0 40.2 12 12 A E H X S+ 0 0 58 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.869 108.4 53.5 -68.9 -35.6 -2.1 21.4 38.9 13 13 A R H X S+ 0 0 109 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 113.2 42.6 -60.9 -49.2 -2.0 24.7 36.9 14 14 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 110.9 55.4 -66.4 -42.2 1.2 23.6 35.2 15 15 A A H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.914 107.9 51.4 -54.1 -40.8 -0.1 20.0 34.7 16 16 A G H X S+ 0 0 25 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.868 104.5 55.6 -66.1 -37.3 -3.1 21.6 33.0 17 17 A N H X S+ 0 0 53 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.914 109.8 46.7 -59.7 -42.0 -0.8 23.7 30.7 18 18 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 113.6 47.6 -66.8 -42.8 0.9 20.4 29.6 19 19 A K H X S+ 0 0 143 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 112.7 48.6 -64.2 -44.1 -2.4 18.7 29.0 20 20 A N H X S+ 0 0 106 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.894 109.7 53.3 -62.5 -40.3 -3.9 21.7 27.1 21 21 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.895 105.7 53.3 -62.7 -39.2 -0.7 21.8 25.0 22 22 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.916 110.2 47.9 -61.8 -41.6 -1.1 18.1 24.1 23 23 A G H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.876 111.0 50.0 -67.1 -38.7 -4.7 18.8 22.9 24 24 A E H X S+ 0 0 103 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 110.1 51.5 -66.1 -36.9 -3.5 21.8 20.9 25 25 A A H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.910 109.1 50.1 -66.0 -43.0 -0.8 19.6 19.3 26 26 A Q H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 110.6 50.2 -59.0 -44.7 -3.4 17.0 18.4 27 27 A S H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.917 110.1 51.1 -59.2 -46.6 -5.6 19.6 16.8 28 28 A Q H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.924 110.2 46.2 -58.1 -49.8 -2.7 21.0 14.8 29 29 A I H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.887 112.1 53.2 -65.2 -33.5 -1.6 17.6 13.4 30 30 A N H X S+ 0 0 87 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.903 110.8 46.7 -65.2 -43.5 -5.3 16.9 12.6 31 31 A R H X S+ 0 0 147 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.914 113.1 48.1 -65.2 -45.7 -5.6 20.2 10.7 32 32 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 109.0 53.2 -65.2 -37.7 -2.4 19.7 8.8 33 33 A E H X S+ 0 0 42 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.897 106.3 54.4 -62.5 -38.4 -3.4 16.1 7.8 34 34 A G H X S+ 0 0 36 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.896 107.1 50.9 -60.5 -41.0 -6.6 17.6 6.5 35 35 A D H X S+ 0 0 25 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.929 110.9 47.3 -61.4 -48.0 -4.5 20.0 4.3 36 36 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.931 111.8 51.6 -60.0 -43.5 -2.4 17.1 2.9 37 37 A N H >< S+ 0 0 79 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.854 100.8 62.7 -58.9 -35.2 -5.6 15.1 2.3 38 38 A S H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.680 97.9 57.7 -67.9 -16.8 -7.1 18.1 0.4 39 39 A L T X< S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.6 4,-0.4 0.619 75.8 117.7 -87.5 -14.8 -4.3 17.8 -2.2 40 40 A E T < S+ 0 0 116 -3,-1.3 4,-0.1 -4,-0.5 5,-0.1 -0.346 88.5 6.1 -57.7 125.7 -5.1 14.2 -3.1 41 41 A G T 3 S+ 0 0 52 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.1 0.331 104.0 99.1 84.9 -7.2 -6.1 14.1 -6.8 42 42 A Q S < S+ 0 0 64 -3,-2.2 49,-2.6 2,-0.1 50,-1.8 0.463 96.4 2.7 -89.0 -5.0 -5.2 17.7 -7.4 43 43 A W S S- 0 0 17 -4,-0.4 -2,-0.4 47,-0.2 5,-0.1 -0.927 106.7 -38.7-163.5-178.0 -1.8 16.8 -8.9 44 44 A A > - 0 0 53 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.147 48.2-125.6 -58.4 145.4 0.3 13.8 -9.8 45 45 A G H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.849 109.7 56.7 -58.5 -38.1 0.3 10.7 -7.5 46 46 A A H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.870 108.1 47.7 -63.3 -37.5 4.1 10.8 -7.2 47 47 A T H > S+ 0 0 40 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.928 111.9 49.3 -68.1 -45.7 4.0 14.4 -5.9 48 48 A Q H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.899 108.6 54.6 -58.8 -40.6 1.2 13.5 -3.5 49 49 A A H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.876 105.2 52.6 -61.9 -40.4 3.2 10.5 -2.3 50 50 A K H X S+ 0 0 99 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.935 113.5 42.7 -61.5 -48.2 6.3 12.7 -1.5 51 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.863 113.1 52.5 -67.8 -36.3 4.3 15.1 0.6 52 52 A R H X S+ 0 0 60 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 109.4 50.4 -62.8 -43.6 2.4 12.3 2.3 53 53 A G H X S+ 0 0 38 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.930 113.1 44.7 -60.8 -47.7 5.7 10.6 3.2 54 54 A E H X S+ 0 0 48 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.917 112.1 52.5 -63.4 -44.5 7.1 13.8 4.7 55 55 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.907 104.7 55.8 -58.5 -41.8 3.9 14.5 6.5 56 56 A I H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.874 103.7 55.9 -58.5 -37.2 3.9 11.0 8.0 57 57 A Q H X S+ 0 0 110 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.922 108.7 46.2 -58.2 -44.7 7.4 11.8 9.4 58 58 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.894 110.8 52.9 -66.9 -37.3 6.0 14.9 11.2 59 59 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.887 106.8 52.8 -66.3 -38.5 3.1 12.9 12.5 60 60 A Q H X S+ 0 0 108 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.895 109.1 48.8 -64.0 -39.0 5.5 10.3 13.9 61 61 A A H >X S+ 0 0 12 -4,-1.7 4,-2.2 1,-0.2 3,-0.9 0.907 111.5 50.6 -64.7 -40.1 7.4 13.0 15.8 62 62 A X H 3X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.833 102.8 59.4 -66.0 -33.8 4.2 14.4 17.1 63 63 A Q H 3< S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.619 109.8 44.2 -73.3 -13.8 3.2 10.9 18.3 64 64 A Q H S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.812 109.3 57.0 -64.7 -26.5 2.6 11.4 25.2 68 68 A I H X S+ 0 0 32 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.937 108.6 46.3 -67.2 -43.9 5.7 13.0 26.7 69 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.911 112.4 50.7 -60.6 -41.8 3.6 16.1 27.5 70 70 A E H X S+ 0 0 94 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.881 107.9 53.2 -65.1 -36.0 0.9 13.9 29.0 71 71 A G H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 108.4 49.3 -64.0 -41.5 3.5 12.1 31.1 72 72 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.925 110.6 51.0 -62.7 -44.7 4.8 15.4 32.5 73 73 A S H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 111.8 47.0 -57.6 -48.9 1.2 16.4 33.3 74 74 A T H X S+ 0 0 83 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 111.5 50.8 -59.7 -42.5 0.6 13.1 35.1 75 75 A D H X S+ 0 0 23 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.901 110.5 48.7 -66.2 -39.7 3.8 13.4 37.0 76 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.913 112.2 48.9 -63.7 -43.2 3.0 16.9 38.2 77 77 A K H X S+ 0 0 86 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.887 107.3 56.0 -64.5 -39.0 -0.5 15.8 39.3 78 78 A R H X S+ 0 0 149 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.939 110.7 44.1 -55.5 -48.2 1.0 12.8 41.2 79 79 A I H X S+ 0 0 22 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.896 110.6 54.7 -68.4 -39.6 3.2 15.2 43.2 80 80 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.939 109.6 48.1 -56.3 -46.0 0.3 17.6 43.7 81 81 A D H X S+ 0 0 57 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.897 110.0 51.5 -60.8 -43.0 -1.7 14.7 45.2 82 82 A K H X S+ 0 0 112 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.915 110.1 49.9 -62.5 -42.1 1.2 13.7 47.4 83 83 A F H X S+ 0 0 55 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.919 112.4 47.2 -61.3 -44.3 1.5 17.2 48.7 84 84 A R H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.859 113.3 47.4 -66.7 -35.4 -2.2 17.4 49.4 85 85 A N H < S+ 0 0 122 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.651 113.0 47.0 -85.2 -14.2 -2.4 14.1 51.2 86 86 A T H < S+ 0 0 109 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.534 119.6 38.8-103.3 -9.9 0.6 14.7 53.4 87 87 A D H < 0 0 119 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.2 0.739 360.0 360.0 -97.8 -38.8 -0.4 18.2 54.5 88 88 A N < 0 0 182 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.234 360.0 360.0-160.4 360.0 -4.1 17.4 54.8 89 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 4 B I 0 0 131 0, 0.0 -47,-0.2 0, 0.0 -48,-0.1 0.000 360.0 360.0 360.0 121.4 -2.8 19.7 -12.3 91 5 B K + 0 0 152 -49,-2.6 -48,-0.2 2,-0.1 2,-0.1 0.688 360.0 94.0-104.2 -26.0 -5.9 21.1 -10.7 92 6 B I - 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