==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-JUN-94 1DLC . COMPND 2 MOLECULE: DELTA-ENDOTOXIN CRYIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR J.LI . 584 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.3 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 . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 1 0 0 0 0 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 4 3 4 0 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 2 0 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 61 A T 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.7 29.9 35.4 28.1 2 62 A T > + 0 0 32 1,-0.1 4,-1.7 3,-0.1 3,-0.5 0.543 360.0 139.3 58.2 12.6 31.7 38.7 28.6 3 63 A K H > + 0 0 101 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.802 61.0 68.2 -54.3 -30.3 34.5 36.8 30.4 4 64 A D H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.960 105.1 36.5 -54.8 -59.0 36.9 39.1 28.6 5 65 A V H > S+ 0 0 4 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.791 115.8 56.1 -67.1 -27.5 35.9 42.3 30.5 6 66 A I H X S+ 0 0 6 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.910 108.9 47.0 -70.4 -37.5 35.5 40.2 33.7 7 67 A Q H X S+ 0 0 37 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.920 112.5 48.7 -68.8 -44.6 39.1 39.0 33.3 8 68 A K H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.940 113.2 49.0 -59.6 -45.2 40.4 42.5 32.7 9 69 A G H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.944 114.1 44.1 -59.5 -49.7 38.4 43.6 35.7 10 70 A I H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.905 114.1 50.9 -62.7 -42.6 39.8 40.8 37.9 11 71 A S H X S+ 0 0 15 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.895 107.1 51.7 -63.0 -45.4 43.4 41.3 36.6 12 72 A V H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.942 112.1 46.6 -58.6 -47.9 43.5 45.0 37.2 13 73 A V H X S+ 0 0 2 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.917 113.2 50.7 -60.6 -42.6 42.4 44.6 40.8 14 74 A G H < S+ 0 0 13 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.902 113.6 43.5 -63.0 -42.0 44.9 41.8 41.2 15 75 A D H >X S+ 0 0 51 -4,-2.9 3,-2.1 1,-0.2 4,-0.5 0.914 110.4 55.0 -69.7 -44.1 47.8 43.9 39.8 16 76 A L H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.3 4,-0.3 0.844 94.5 69.3 -58.9 -32.6 46.8 47.0 41.8 17 77 A L T 3< S+ 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 220,-0.2 0.704 100.3 50.5 -59.1 -17.7 46.9 44.8 45.0 18 78 A G T <4 S+ 0 0 54 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.633 115.0 38.5 -94.5 -17.4 50.7 44.8 44.4 19 79 A V S << S+ 0 0 10 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 -0.009 83.8 128.6-122.0 29.4 51.2 48.6 43.9 20 80 A V + 0 0 4 -4,-0.3 215,-1.8 215,-0.2 2,-0.2 -0.619 65.8 11.3 -87.6 140.7 48.8 49.8 46.6 21 81 A G B S-A 234 0A 1 204,-1.7 213,-0.3 -2,-0.3 207,-0.2 -0.630 131.6 -15.2 89.3-153.7 50.1 52.4 49.1 22 82 A F S S- 0 0 77 211,-1.9 2,-0.1 209,-0.3 -2,-0.1 -0.756 82.2-160.2 -87.7 104.1 53.6 53.9 48.4 23 83 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.439 20.6-105.0 -85.0 155.0 55.0 51.6 45.7 24 84 A F >> - 0 0 139 -2,-0.1 4,-2.1 1,-0.1 3,-0.9 -0.607 35.1-114.7 -81.3 133.1 58.6 51.2 44.6 25 85 A G H 3> S+ 0 0 16 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.725 112.9 50.2 -32.5 -46.1 59.4 52.9 41.3 26 86 A G H 3> S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.916 111.7 48.1 -66.4 -41.9 60.2 49.8 39.4 27 87 A A H <> S+ 0 0 24 -3,-0.9 4,-2.7 1,-0.2 -2,-0.2 0.917 109.9 53.5 -63.3 -42.0 57.0 48.1 40.5 28 88 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 111.0 44.7 -59.5 -46.2 55.0 51.2 39.6 29 89 A V H X S+ 0 0 22 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.929 112.1 52.6 -66.3 -44.0 56.4 51.3 36.0 30 90 A S H X S+ 0 0 74 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.934 110.2 49.0 -55.2 -50.6 55.9 47.6 35.6 31 91 A F H X S+ 0 0 9 -4,-2.7 4,-3.1 1,-0.2 3,-0.5 0.963 107.0 56.0 -53.2 -55.5 52.2 48.0 36.6 32 92 A Y H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.802 104.6 52.2 -49.1 -37.8 51.7 50.8 34.2 33 93 A T H X S+ 0 0 63 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.917 113.6 42.4 -69.6 -40.9 52.8 48.8 31.2 34 94 A N H X S+ 0 0 77 -4,-1.7 4,-2.7 -3,-0.5 -2,-0.2 0.947 113.0 55.7 -65.9 -46.6 50.4 45.9 32.0 35 95 A F H X>S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 5,-1.3 0.917 108.5 46.6 -49.9 -51.0 47.8 48.5 32.8 36 96 A L H <5S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 113.7 48.4 -62.5 -38.4 48.2 50.1 29.4 37 97 A N H <5S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.837 120.9 36.6 -71.7 -31.0 48.0 46.7 27.6 38 98 A T H <5S+ 0 0 28 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.971 134.7 11.6 -83.9 -66.6 45.0 45.7 29.5 39 99 A I T <5S+ 0 0 0 -4,-2.1 3,-0.2 -5,-0.2 -3,-0.2 0.824 131.8 39.1 -87.4 -34.3 42.7 48.7 30.0 40 100 A W S S- 0 0 32 -3,-0.2 4,-0.5 -5,-0.1 0, 0.0 -0.885 71.9 -79.6-161.2-171.5 42.5 50.6 22.1 43 103 A E H > S+ 0 0 67 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.664 106.6 86.2 -81.1 -10.9 38.8 51.5 22.1 44 104 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 87.4 47.5 -55.9 -47.7 37.9 47.8 22.1 45 105 A P H > S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.931 113.5 48.3 -61.9 -43.5 38.0 47.4 25.9 46 106 A W H X S+ 0 0 1 -4,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.880 110.9 50.5 -64.1 -37.7 35.9 50.5 26.5 47 107 A K H X S+ 0 0 69 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 110.0 51.4 -67.0 -37.8 33.4 49.4 24.0 48 108 A A H X S+ 0 0 24 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.810 106.4 53.9 -67.9 -33.9 33.2 46.0 25.7 49 109 A F H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 86,-0.3 0.854 110.1 47.5 -69.3 -36.2 32.6 47.7 29.1 50 110 A M H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 3,-0.3 0.967 112.8 47.6 -68.6 -50.0 29.7 49.7 27.7 51 111 A E H X S+ 0 0 110 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.824 104.2 65.4 -59.9 -31.7 28.2 46.6 26.1 52 112 A Q H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.950 107.7 36.2 -56.8 -54.4 28.7 44.7 29.4 53 113 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 79,-0.3 5,-0.3 0.852 112.5 59.7 -71.2 -31.6 26.2 46.8 31.3 54 114 A E H X>S+ 0 0 23 -4,-2.0 4,-1.8 1,-0.2 5,-1.3 0.917 107.5 48.1 -60.6 -39.1 23.9 47.1 28.4 55 115 A A H <5S+ 0 0 67 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.922 114.1 44.9 -65.6 -47.0 23.7 43.3 28.4 56 116 A L H <5S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 122.9 36.4 -65.4 -38.2 23.0 43.2 32.2 57 117 A M H <5S- 0 0 13 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.621 98.1-133.0 -91.2 -15.7 20.4 46.0 32.0 58 118 A D T <5S+ 0 0 147 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.936 71.8 107.7 57.6 46.6 18.9 45.1 28.7 59 119 A Q < - 0 0 79 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.3 -0.935 59.3-136.1-143.6 163.3 19.2 48.7 27.7 60 120 A K - 0 0 173 -2,-0.3 2,-0.3 -3,-0.1 72,-0.1 -0.925 16.9-117.4-129.5 150.4 21.4 50.6 25.2 61 121 A I - 0 0 7 -2,-0.3 2,-0.1 71,-0.1 5,-0.1 -0.665 44.4 -99.3 -82.9 137.9 23.2 53.9 25.4 62 122 A A >> - 0 0 25 -2,-0.3 4,-2.0 1,-0.1 3,-0.9 -0.418 34.8-121.7 -57.0 126.9 22.1 56.5 22.9 63 123 A D H 3> S+ 0 0 118 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.796 111.1 55.5 -40.4 -41.8 24.6 56.3 20.0 64 124 A Y H 3> S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.932 110.4 44.7 -60.5 -45.4 25.6 60.0 20.4 65 125 A A H <> S+ 0 0 4 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.833 114.6 50.1 -67.9 -32.7 26.4 59.5 24.0 66 126 A K H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.927 111.5 47.6 -71.6 -45.2 28.3 56.3 23.1 67 127 A N H X S+ 0 0 96 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.898 111.8 48.5 -64.6 -44.3 30.3 57.9 20.4 68 128 A K H X S+ 0 0 108 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.935 109.9 52.7 -62.7 -44.7 31.3 60.9 22.4 69 129 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.949 110.7 47.4 -54.0 -49.8 32.4 58.7 25.3 70 130 A L H X S+ 0 0 25 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.869 110.5 53.2 -60.7 -36.2 34.6 56.7 22.9 71 131 A A H X S+ 0 0 60 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.941 108.6 47.9 -65.2 -48.7 36.0 59.9 21.5 72 132 A E H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.923 110.4 54.2 -56.9 -44.7 37.1 61.2 24.9 73 133 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.823 103.4 54.0 -61.0 -36.5 38.6 57.9 25.7 74 134 A Q H X S+ 0 0 61 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.945 111.6 46.5 -64.3 -44.4 40.8 57.9 22.6 75 135 A G H X S+ 0 0 20 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.878 111.2 50.6 -63.7 -40.3 42.2 61.3 23.6 76 136 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.835 104.9 59.2 -66.5 -33.1 42.7 60.2 27.2 77 137 A Q H X S+ 0 0 18 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.968 104.8 48.0 -60.4 -52.3 44.6 57.1 25.9 78 138 A N H X S+ 0 0 87 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.913 111.9 51.1 -55.0 -44.0 47.2 59.2 24.1 79 139 A N H X S+ 0 0 29 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.908 112.6 45.5 -60.5 -44.2 47.6 61.4 27.2 80 140 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.922 115.0 46.8 -67.3 -44.2 48.1 58.3 29.4 81 141 A E H X S+ 0 0 67 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.956 111.7 49.5 -63.5 -49.7 50.6 56.7 27.0 82 142 A D H X S+ 0 0 84 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.908 113.7 49.3 -56.1 -40.7 52.6 59.8 26.5 83 143 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.912 110.3 48.0 -64.9 -47.3 52.8 60.2 30.2 84 144 A V H X S+ 0 0 8 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.901 108.7 53.4 -63.1 -42.8 53.9 56.6 31.0 85 145 A S H X S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.966 114.0 43.7 -57.3 -48.3 56.6 56.6 28.3 86 146 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.915 113.0 50.5 -62.8 -45.3 58.0 59.8 29.9 87 147 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.913 108.9 53.5 -60.7 -39.9 57.6 58.4 33.5 88 148 A S H X S+ 0 0 45 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.936 109.8 46.7 -59.9 -46.9 59.4 55.3 32.4 89 149 A S H X S+ 0 0 49 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.944 110.2 54.1 -61.0 -46.8 62.4 57.3 31.1 90 150 A W H < S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 110.5 44.6 -54.5 -49.3 62.5 59.4 34.3 91 151 A Q H < S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.4 47.4 -61.5 -44.4 62.7 56.4 36.6 92 152 A K H < S+ 0 0 173 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 98.2 81.5 -64.6 -43.1 65.3 54.7 34.4 93 153 A N S < S- 0 0 69 -4,-3.0 5,-0.0 -5,-0.2 0, 0.0 -0.466 86.2-113.3 -72.9 135.6 67.5 57.8 34.0 94 154 A P > - 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