==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE,TOXIN 15-JUL-10 2L0R . COMPND 2 MOLECULE: LETHAL FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.A.DALKAS,C.T.CHASAPIS,P.V.GKAZONIS,D.A.BENTROP,G.A.SPYROUL . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 67.0 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 . 7 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 1 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 G 0 0 38 0, 0.0 9,-0.1 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 -47.8 -9.5 12.8 5.4 2 2 A S - 0 0 43 8,-0.8 2,-0.3 7,-0.4 8,-0.2 0.861 360.0-179.7 69.1 68.4 -8.4 15.9 3.8 3 3 A K - 0 0 153 2,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.964 42.1 -11.1-139.7 154.9 -6.8 18.9 5.6 4 4 A G S S- 0 0 46 -2,-0.3 2,-0.1 5,-0.2 4,-0.0 0.024 91.5 -61.1-102.7-100.5 -5.7 21.5 5.1 5 5 A V S >S- 0 0 116 -2,-0.2 2,-1.7 5,-0.0 5,-0.5 -0.193 91.8 -54.6 -73.5-166.9 -5.0 23.0 1.8 6 6 A E T 5S+ 0 0 109 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 -0.269 78.0 137.0 -87.0 70.5 -2.5 21.0 -0.2 7 7 A L T 5S- 0 0 99 -2,-1.7 2,-1.7 1,-0.1 -1,-0.2 0.021 87.1-109.0 -73.7 23.5 0.4 20.9 2.2 8 8 A R T >>>S+ 0 0 133 1,-0.2 4,-2.6 4,-0.0 3,-0.7 -0.289 104.6 96.4 81.4 -36.9 -0.2 17.4 0.6 9 9 A N H 3>5S+ 0 0 110 -2,-1.7 4,-1.7 1,-0.3 -7,-0.4 0.774 82.1 57.8 -43.2 -41.5 -1.5 15.6 3.6 10 10 A D H 3>5S+ 0 0 46 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.924 124.7 43.1 -77.7 -48.6 -4.6 14.6 -1.0 12 12 A E H X5S+ 0 0 50 -4,-2.6 4,-1.2 2,-0.2 -3,-0.2 0.785 117.1 50.1 -74.3 -27.4 -2.1 11.9 -0.0 13 13 A G H X S+ 0 0 16 -15,-1.6 3,-0.8 -2,-0.3 -14,-0.1 0.658 85.0 115.2 -74.0 -12.1 -8.1 -8.3 3.6 39 39 A T T 3 S+ 0 0 27 1,-0.2 -2,-0.2 -16,-0.2 3,-0.1 -0.175 73.3 23.1 -44.4 146.1 -4.7 -7.3 4.9 40 40 A N T 3 S+ 0 0 67 1,-0.2 -1,-0.2 23,-0.1 2,-0.2 0.841 100.0 105.9 50.6 44.5 -2.7 -10.3 6.3 41 41 A S < + 0 0 37 -3,-0.8 2,-2.4 2,-0.1 -1,-0.2 -0.630 61.0 39.6-120.8-170.4 -4.5 -13.0 4.4 42 42 A K S S+ 0 0 147 -2,-0.2 -3,-0.1 1,-0.2 -11,-0.0 -0.394 131.8 15.1 71.9 -68.8 -3.1 -14.9 1.3 43 43 A K S > S- 0 0 140 -2,-2.4 3,-1.9 0, 0.0 4,-0.3 -0.474 105.9-106.2-141.7 58.7 0.5 -15.4 2.5 44 44 A F T 3 S- 0 0 179 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.1 0.579 74.5 -46.5 9.1 92.4 0.5 -14.6 6.3 45 45 A I T 3> S+ 0 0 63 -4,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.444 98.8 125.5 53.6 12.8 2.2 -11.2 6.9 46 46 A D H <> S+ 0 0 61 -3,-1.9 4,-1.9 2,-0.2 3,-0.3 0.973 72.5 48.0 -58.4 -61.6 5.2 -11.9 4.5 47 47 A I H >>S+ 0 0 24 -4,-0.3 4,-1.2 1,-0.3 5,-1.0 0.890 116.4 44.4 -54.5 -47.4 4.8 -8.9 2.3 48 48 A F H 45S+ 0 0 19 3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.829 107.1 59.5 -66.0 -37.1 4.5 -6.6 5.4 49 49 A K H <5S+ 0 0 118 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.946 122.5 19.2 -64.3 -45.7 7.3 -8.2 7.3 50 50 A E H ><5S+ 0 0 127 -4,-1.9 3,-0.6 -5,-0.1 -2,-0.2 0.946 136.9 32.3 -84.3 -66.2 10.0 -7.4 4.8 51 51 A E G >X5S+ 0 0 16 -4,-1.2 3,-2.1 -5,-0.3 2,-1.2 0.844 104.1 78.0 -69.9 -32.1 8.6 -4.7 2.5 52 52 A G G 34 S+ 0 0 96 1,-0.2 3,-1.7 -2,-0.2 9,-0.1 0.856 132.3 56.4 -59.7 -37.6 7.4 4.6 8.7 58 58 A Y G > S+ 0 0 125 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.824 96.9 63.7 -64.0 -28.4 3.7 4.4 7.8 59 59 A G G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.528 108.2 43.4 -68.0 -3.7 4.7 1.3 5.8 60 60 A R G < S+ 0 0 179 -3,-1.7 -1,-0.2 -7,-0.1 -2,-0.2 0.232 95.1 83.9-129.9 6.1 5.7 -0.1 9.3 61 61 A T S < S- 0 0 59 -3,-1.1 2,-0.1 1,-0.4 -3,-0.1 0.486 106.1 -20.9 -75.0-132.0 2.7 0.9 11.4 62 62 A N >> - 0 0 127 1,-0.1 4,-2.0 2,-0.0 3,-1.7 -0.504 67.4-118.2 -73.1 155.9 -0.3 -1.4 11.3 63 63 A E H 3> S+ 0 0 24 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.894 115.3 65.1 -62.1 -33.5 -0.4 -3.7 8.2 64 64 A A H 3> S+ 0 0 16 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.690 105.8 43.9 -60.8 -21.1 -3.7 -2.0 7.3 65 65 A E H <> S+ 0 0 47 -3,-1.7 4,-2.8 2,-0.2 5,-0.5 0.884 107.2 57.2 -85.5 -49.6 -1.6 1.2 6.9 66 66 A F H X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.894 112.9 43.1 -41.1 -49.8 1.2 -0.5 5.0 67 67 A F H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.918 112.7 53.2 -62.6 -47.5 -1.5 -1.6 2.5 68 68 A A H X S+ 0 0 0 -4,-0.8 4,-1.9 -5,-0.3 -49,-0.3 0.940 113.9 39.5 -59.9 -53.5 -3.2 1.8 2.5 69 69 A E H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.842 110.1 60.9 -66.1 -31.1 -0.1 3.9 1.6 70 70 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.5 -2,-0.2 0.939 105.3 49.3 -59.3 -40.6 0.9 1.1 -0.8 71 71 A F H X S+ 0 0 51 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.934 111.5 48.9 -58.6 -51.4 -2.3 2.0 -2.6 72 72 A R H >< S+ 0 0 45 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.970 115.0 42.8 -46.4 -66.9 -1.5 5.7 -2.5 73 73 A L H >< S+ 0 0 17 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.787 105.4 65.9 -55.9 -35.8 2.1 5.2 -3.9 74 74 A M H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.803 112.4 31.0 -59.6 -38.0 0.8 2.6 -6.5 75 75 A H T << S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.285 85.1 154.5-100.0 2.1 -1.2 5.3 -8.4 76 76 A S < - 0 0 9 -3,-1.1 6,-0.3 -4,-0.4 -3,-0.1 -0.092 46.2-141.0 -49.5 128.5 1.0 8.4 -7.7 77 77 A T S S+ 0 0 144 1,-0.1 2,-1.4 2,-0.1 -1,-0.1 0.904 101.4 71.5 -51.0 -45.5 0.7 11.1 -10.3 78 78 A D S >> S- 0 0 95 1,-0.2 4,-0.9 2,-0.1 3,-0.7 -0.660 79.6-165.4 -69.2 99.0 4.4 11.3 -9.7 79 79 A H H 3> S+ 0 0 130 -2,-1.4 4,-1.7 1,-0.3 3,-0.3 0.797 83.5 63.8 -62.9 -30.2 5.1 8.1 -11.5 80 80 A A H 3> S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.904 94.0 61.7 -59.3 -39.4 8.6 8.0 -10.0 81 81 A E H <> S+ 0 0 55 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.885 103.3 51.2 -52.9 -35.9 6.9 7.7 -6.5 82 82 A R H X S+ 0 0 87 -4,-0.9 4,-2.3 -3,-0.3 3,-0.3 0.942 106.2 52.5 -67.6 -48.2 5.4 4.5 -7.8 83 83 A L H X S+ 0 0 80 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.756 100.2 62.7 -62.9 -23.8 8.8 3.2 -8.9 84 84 A K H X S+ 0 0 126 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.953 107.9 44.6 -62.1 -44.4 10.2 3.9 -5.4 85 85 A V H X S+ 0 0 2 -4,-1.4 4,-1.5 -3,-0.3 -2,-0.2 0.982 116.2 43.3 -61.3 -57.9 7.6 1.3 -4.2 86 86 A Q H >< S+ 0 0 85 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.936 117.1 47.3 -55.5 -49.2 8.3 -1.3 -6.9 87 87 A K H 3< S+ 0 0 179 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.910 122.0 35.1 -53.9 -49.7 12.1 -0.8 -6.6 88 88 A N H 3< S+ 0 0 60 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.504 136.6 23.8 -83.5 -9.0 12.0 -1.0 -2.7 89 89 A A S+ 0 0 58 -2,-0.3 4,-1.8 -44,-0.1 5,-0.1 0.505 106.2 59.1-141.6 -43.1 6.0 -7.7 -4.4 92 92 A T H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.933 109.0 48.8 -57.6 -46.1 3.9 -5.2 -2.3 93 93 A F H X S+ 0 0 14 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.959 110.8 49.7 -56.9 -49.2 3.3 -3.3 -5.5 94 94 A Q H > S+ 0 0 133 -5,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.795 105.6 60.3 -58.8 -28.6 2.4 -6.5 -7.3 95 95 A F H >X S+ 0 0 35 -4,-1.8 4,-2.6 2,-0.2 3,-0.5 0.963 109.0 39.1 -67.1 -53.3 0.0 -7.2 -4.3 96 96 A I H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.8 55.3 -64.0 -30.3 -2.1 -4.1 -4.8 97 97 A N H >< S+ 0 0 76 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.2 0.753 106.0 50.1 -73.7 -25.2 -1.7 -4.8 -8.5 98 98 A D H << S+ 0 0 89 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.932 112.4 48.2 -69.3 -49.9 -3.1 -8.3 -8.0 99 99 A Q T 3< S+ 0 0 55 -4,-2.6 2,-0.8 -5,-0.1 -1,-0.2 0.002 78.8 146.3 -80.6 31.0 -5.9 -6.6 -6.1 100 100 A I < + 0 0 107 -3,-0.8 2,-0.2 -5,-0.1 -3,-0.1 -0.601 34.8 150.6 -60.7 109.9 -6.3 -4.2 -9.0 101 101 A K - 0 0 151 -2,-0.8 -1,-0.0 -5,-0.1 -2,-0.0 -0.478 55.8-115.1-142.8-151.7 -10.0 -3.8 -8.7 102 102 A F + 0 0 174 -2,-0.2 2,-0.7 3,-0.0 -2,-0.1 -0.304 33.6 165.5-156.2 35.6 -13.1 -1.8 -9.1 103 103 A I - 0 0 44 2,-0.0 -2,-0.1 0, 0.0 -81,-0.0 -0.683 50.7 -33.4 -71.2 114.7 -14.7 -1.0 -5.8 104 104 A I - 0 0 105 -2,-0.7 2,-0.2 2,-0.0 0, 0.0 0.181 57.5 -61.2 70.3 172.2 -17.2 1.8 -6.4 105 105 A N 0 0 121 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.369 360.0 360.0 101.4 105.8 -18.6 4.5 -7.8 106 106 A S 0 0 172 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.969 360.0 360.0 44.6 360.0 -18.8 7.4 -8.7