==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-JAN-12 2LO7 . COMPND 2 MOLECULE: TOXIN TS16; . SOURCE 2 ORGANISM_SCIENTIFIC: TITYUS SERRULATUS; . AUTHOR F.DEL RIO-PORTILLA,A.L.SAUCEDO,D.FLORES-SOLIS . 31 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 48.4 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 . 1 3.2 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 . 1 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 41.9 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 1 0 0 1 0 0 0 0 0 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 G 0 0 97 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-177.9 17.7 20.9 37.7 2 2 A S - 0 0 92 1,-0.1 3,-0.3 2,-0.0 21,-0.0 0.408 360.0 -39.0 -74.4 -1.3 17.3 24.8 37.9 3 3 A G S S- 0 0 21 1,-2.2 2,-0.2 19,-0.0 20,-0.1 0.575 121.1 -36.7 95.5 105.7 17.1 25.0 34.1 4 4 A a S S- 0 0 39 18,-0.3 -1,-2.2 19,-0.1 2,-0.3 -0.255 112.7 -67.9 -58.8 -59.0 19.2 23.0 33.0 5 5 A M > - 0 0 100 -3,-0.3 4,-2.8 -4,-0.2 5,-0.2 -0.944 34.9-135.2-138.2 143.4 21.6 23.7 35.8 6 6 A K H > S+ 0 0 141 -2,-0.3 4,-1.1 2,-0.2 5,-0.1 0.784 109.8 51.7 -65.8 -23.5 23.3 27.2 36.0 7 7 A E H > S+ 0 0 140 2,-0.2 4,-1.8 3,-0.1 3,-0.5 0.967 111.6 44.7 -68.6 -57.3 26.6 25.3 36.7 8 8 A Y H > S+ 0 0 118 1,-0.2 4,-0.8 2,-0.2 5,-0.3 0.906 109.7 56.4 -53.3 -47.3 26.2 23.0 33.7 9 9 A b H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.845 110.7 42.6 -63.5 -32.4 25.2 25.9 31.4 10 10 A A H < S+ 0 0 38 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.756 110.7 57.4 -82.7 -23.9 28.4 27.9 32.2 11 11 A G H < S+ 0 0 61 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.541 124.3 22.1 -75.7 -10.4 30.5 24.6 31.9 12 12 A Q H < S+ 0 0 135 -4,-0.8 2,-0.3 -3,-0.4 -2,-0.2 0.665 123.1 39.8-122.2 -39.4 29.1 24.1 28.3 13 13 A c < - 0 0 2 -4,-2.5 2,-0.4 -5,-0.3 -1,-0.3 -0.847 66.8-139.1-129.6 153.7 27.9 27.5 26.8 14 14 A R + 0 0 176 -2,-0.3 4,-0.2 -3,-0.1 3,-0.1 -0.937 53.1 27.0-132.8 138.5 29.3 31.1 27.0 15 15 A G S > S- 0 0 39 -2,-0.4 4,-2.9 3,-0.1 5,-0.3 0.037 86.7 -81.3 88.7 153.7 27.9 34.7 27.4 16 16 A K H > S+ 0 0 188 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.836 127.3 40.5 -57.5 -43.1 24.7 35.8 29.2 17 17 A V H > S+ 0 0 96 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.840 115.2 50.7 -80.8 -35.4 22.2 35.1 26.4 18 18 A S H > S+ 0 0 13 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.944 114.3 44.6 -65.0 -49.9 23.9 31.8 25.3 19 19 A Q H X S+ 0 0 48 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.904 111.7 54.4 -58.6 -39.1 23.8 30.6 29.0 20 20 A D H X S+ 0 0 67 -4,-1.9 4,-0.6 -5,-0.3 -2,-0.2 0.878 104.6 53.7 -64.9 -36.2 20.1 32.0 29.2 21 21 A Y H >X S+ 0 0 65 -4,-2.2 4,-2.6 2,-0.2 3,-0.9 0.912 107.7 50.7 -62.4 -38.3 19.2 29.8 26.1 22 22 A b H 3X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -18,-0.3 0.883 103.8 58.6 -67.9 -33.5 20.7 26.8 28.0 23 23 A L H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.669 118.5 31.9 -63.0 -20.4 18.4 27.8 31.0 24 24 A K H << S+ 0 0 130 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.731 135.7 21.1-103.1 -35.6 15.4 27.5 28.6 25 25 A H H < S- 0 0 103 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.295 90.6-120.8-128.9 2.2 16.4 24.6 26.2 26 26 A a S < S+ 0 0 62 -4,-2.0 2,-0.3 -5,-0.2 -4,-0.2 0.727 86.6 80.1 53.7 27.0 19.3 22.6 28.0 27 27 A K S S- 0 0 108 -6,-0.3 -2,-0.3 -9,-0.1 -3,-0.2 -0.963 87.6 -87.6-148.2 165.0 21.6 23.4 25.0 28 28 A c - 0 0 54 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.310 55.2 -90.4 -73.6 159.3 23.8 26.2 23.7 29 29 A I - 0 0 39 1,-0.1 -1,-0.1 -2,-0.1 -11,-0.1 -0.496 41.4-119.1 -77.9 137.1 22.3 29.0 21.4 30 30 A P 0 0 80 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.219 360.0 360.0 -72.9 165.8 22.3 28.5 17.6 31 31 A R 0 0 269 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.978 360.0 360.0-119.5 360.0 24.1 30.8 15.0