==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-JAN-06 2DDL . COMPND 2 MOLECULE: LEIUROTOXIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.FERRAT . 33 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 57.6 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 . 4 12.1 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 . 1 3.0 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 . 3 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 30.3 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 1 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 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 ANTIPARALLEL 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 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 A > 0 0 127 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.9 -11.7 -2.1 -2.0 2 2 A F T >4 - 0 0 138 2,-0.1 2,-0.9 1,-0.1 3,-0.7 0.444 360.0 -46.5 62.4 149.3 -9.7 -0.0 0.4 3 3 A a T 34 S- 0 0 40 1,-0.2 21,-0.2 2,-0.1 -1,-0.1 -0.245 120.0 -36.7 -50.2 91.4 -8.5 3.5 -0.3 4 4 A N T 3> S- 0 0 96 -2,-0.9 4,-1.6 3,-0.1 -1,-0.2 0.963 73.4-172.4 49.0 82.6 -7.2 2.9 -3.8 5 5 A L H S+ 0 0 215 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.939 116.6 44.1 -43.2 -64.0 -4.0 -1.0 -6.8 7 7 A M H >> S+ 0 0 110 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.882 110.0 58.5 -49.9 -40.6 -2.4 2.4 -6.5 8 8 A b H 3X S+ 0 0 11 -4,-1.6 4,-1.6 1,-0.3 3,-0.4 0.939 96.3 61.0 -54.7 -48.6 -1.6 1.5 -3.0 9 9 A Q H 3X S+ 0 0 83 -4,-2.7 4,-3.3 -3,-0.5 3,-0.3 0.864 99.3 58.8 -44.7 -41.3 0.4 -1.5 -4.2 10 10 A L H