==== 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 4J11 . 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 . 357 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 87.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 76.8 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 8 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 . 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 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 N > 0 0 204 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.8 -4.9 27.4 41.5 2 0 A A T 3 + 0 0 105 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.748 360.0 57.1 -65.3 -23.8 -4.0 23.8 40.7 3 1 A M T 3 S+ 0 0 183 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.301 75.2 135.6 -94.0 9.6 -6.6 23.7 37.9 4 2 A A < - 0 0 68 -3,-1.4 2,-0.2 1,-0.1 0, 0.0 -0.290 64.8-103.0 -59.6 138.5 -5.3 26.6 35.9 5 3 A E - 0 0 130 1,-0.1 2,-0.8 0, 0.0 -1,-0.1 -0.433 30.9-127.8 -60.9 128.9 -5.1 26.1 32.1 6 4 A I - 0 0 112 -2,-0.2 -1,-0.1 123,-0.1 2,-0.1 -0.725 28.3-130.0 -83.0 111.4 -1.5 25.4 31.0 7 5 A K - 0 0 162 -2,-0.8 5,-0.1 1,-0.1 2,-0.1 -0.366 24.2-103.8 -67.5 138.1 -0.9 27.9 28.2 8 6 A I + 0 0 31 122,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.366 48.9 162.7 -63.2 133.8 0.6 26.6 25.0 9 7 A T > - 0 0 48 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.900 54.6-101.7-139.0 166.5 4.3 27.3 24.4 10 8 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 123.9 57.1 -61.4 -31.8 6.8 25.7 22.0 11 9 A E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 107.4 46.8 -63.8 -41.5 8.1 23.7 25.0 12 10 A E H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 111.6 50.6 -65.4 -41.0 4.6 22.2 25.6 13 11 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.905 111.8 47.6 -65.0 -40.1 4.1 21.4 22.0 14 12 A E H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.877 110.3 53.0 -68.7 -35.6 7.5 19.6 21.8 15 13 A R H X S+ 0 0 122 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.962 113.0 42.6 -62.6 -50.3 6.7 17.7 25.0 16 14 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.903 110.5 56.2 -65.8 -38.0 3.4 16.5 23.6 17 15 A A H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.904 106.0 53.4 -55.6 -41.0 5.0 15.7 20.3 18 16 A G H X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.877 103.4 55.9 -61.4 -39.8 7.4 13.6 22.3 19 17 A N H X S+ 0 0 53 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.908 110.0 45.7 -58.6 -42.5 4.5 11.7 23.8 20 18 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.906 113.1 48.8 -69.4 -41.6 3.2 10.8 20.3 21 19 A K H X S+ 0 0 73 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 113.1 47.8 -63.1 -43.7 6.7 9.8 19.1 22 20 A N H X S+ 0 0 79 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.878 108.4 54.3 -67.1 -37.9 7.2 7.6 22.1 23 21 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.897 106.1 53.5 -61.6 -38.7 3.8 6.0 21.8 24 22 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.917 109.4 48.4 -61.9 -42.2 4.7 5.1 18.2 25 23 A G H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 160,-2.0 0.898 111.5 49.0 -64.9 -41.8 7.9 3.4 19.4 26 24 A E H X S+ 0 0 65 -4,-2.4 4,-2.3 158,-0.2 -1,-0.2 0.895 110.3 51.6 -62.9 -41.7 6.0 1.5 22.1 27 25 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 109.5 49.3 -63.7 -44.4 3.4 0.4 19.6 28 26 A Q H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.923 110.3 51.1 -59.3 -45.7 6.2 -0.9 17.2 29 27 A S H X S+ 0 0 11 -4,-2.3 4,-2.0 154,-0.2 -2,-0.2 0.911 109.9 51.1 -59.1 -42.4 7.8 -2.8 20.1 30 28 A Q H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 109.2 47.5 -62.8 -47.2 4.5 -4.4 21.0 31 29 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 110.2 54.7 -66.2 -34.5 3.7 -5.6 17.5 32 30 A N H X S+ 0 0 56 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.909 109.8 46.2 -61.2 -42.4 7.3 -7.0 17.3 33 31 A R H X S+ 0 0 141 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.913 112.5 49.3 -69.4 -41.8 6.8 -9.1 20.4 34 32 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 107.0 55.7 -64.5 -36.8 3.4 -10.4 19.4 35 33 A E H X S+ 0 0 48 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.901 104.1 55.2 -62.4 -39.0 4.8 -11.4 16.0 36 34 A G H X S+ 0 0 35 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.879 106.0 51.5 -57.9 -39.8 7.4 -13.4 17.8 37 35 A D H X S+ 0 0 27 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.927 110.5 47.0 -65.8 -45.2 4.6 -15.3 19.7 38 36 A I H >X S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.6 0.917 111.2 52.7 -61.6 -42.5 2.8 -16.1 16.5 39 37 A N H >< S+ 0 0 80 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.866 103.3 58.8 -58.8 -36.0 6.1 -17.3 14.9 40 38 A S H 3< S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.714 99.5 57.9 -68.7 -21.1 6.6 -19.5 17.9 41 39 A L H X< S+ 0 0 0 -3,-1.0 3,-2.5 -4,-0.8 4,-0.4 0.648 76.2 114.9 -84.7 -16.8 3.4 -21.4 17.3 42 40 A E T << S+ 0 0 124 -3,-0.9 4,-0.1 -4,-0.6 5,-0.1 -0.335 89.9 6.9 -57.6 126.4 4.4 -22.4 13.8 43 41 A G T 3 S+ 0 0 43 2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.398 106.5 97.9 82.9 -2.0 4.7 -26.2 13.7 44 42 A Q S < S+ 0 0 62 -3,-2.5 52,-2.6 2,-0.1 53,-0.6 0.449 92.9 5.3 -97.7 -3.8 3.3 -26.6 17.2 45 43 A W S S- 0 0 8 -4,-0.4 -2,-0.3 50,-0.2 50,-0.1 -0.913 106.9 -37.4-162.4-179.3 -0.3 -27.4 16.2 46 44 A A >> - 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