==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-OCT-03 1V28 . COMPND 2 MOLECULE: PARALYTIC PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.KAWAGUCHI,A.YING,K.SUZUKI,Y.KUMAKI,M.DEMURA,K.NITTA . 23 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 47.8 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 . 5 21.7 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 . 1 4.3 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-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 . 4 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 4.3 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 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 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 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 E 0 0 205 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.4 5.9 13.3 10.6 2 2 A N + 0 0 128 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.532 360.0 134.7-179.4 106.7 6.8 11.2 7.6 3 3 A F + 0 0 197 -2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.807 3.3 149.7-162.9 117.1 5.4 11.3 4.0 4 4 A A - 0 0 89 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.198 42.9-141.5-133.7 14.9 7.2 11.2 0.6 5 5 A G + 0 0 31 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.185 47.3 143.5 54.6-149.8 4.6 9.6 -1.6 6 6 A G + 0 0 79 1,-0.3 13,-0.2 12,-0.0 2,-0.2 0.520 46.8 109.5 95.1 5.1 6.1 7.1 -4.1 7 7 A a - 0 0 47 1,-0.1 -1,-0.3 4,-0.1 5,-0.0 -0.530 68.4-107.0-106.3 176.9 3.1 4.7 -3.9 8 8 A A > - 0 0 45 -2,-0.2 3,-1.4 -3,-0.1 -1,-0.1 -0.170 54.9 -64.5 -91.3-169.7 0.4 3.9 -6.4 9 9 A T T 3 S+ 0 0 144 1,-0.3 2,-1.3 12,-0.0 -2,-0.1 0.879 128.2 4.6 -41.2 -98.1 -3.3 4.9 -6.4 10 10 A G T 3 S+ 0 0 35 2,-0.1 12,-2.7 9,-0.0 2,-0.6 -0.286 95.8 142.0 -88.1 55.0 -4.7 3.2 -3.2 11 11 A F E < -A 21 0A 68 -3,-1.4 2,-0.5 -2,-1.3 -4,-0.1 -0.840 37.5-155.6 -98.5 120.1 -1.3 1.9 -2.2 12 12 A M E -A 20 0A 119 8,-4.5 8,-1.4 -2,-0.6 6,-0.1 -0.820 25.9-110.9 -98.7 128.4 -0.8 1.9 1.6 13 13 A R E -A 19 0A 108 -2,-0.5 2,-0.3 6,-0.2 6,-0.3 -0.320 35.9-143.3 -55.4 122.1 2.8 2.1 2.9 14 14 A T E >> -A 18 0A 42 4,-3.6 3,-4.6 1,-0.1 4,-1.0 -0.639 26.1-106.4 -89.9 147.9 3.5 -1.3 4.5 15 15 A A T 34 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.798 120.8 70.1 -41.6 -27.6 5.6 -1.6 7.7 16 16 A D T 34 S- 0 0 139 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.583 122.2-107.8 -70.1 -4.3 8.2 -3.0 5.3 17 17 A G T <4 S+ 0 0 47 -3,-4.6 2,-0.3 1,-0.3 -2,-0.2 0.876 81.0 118.6 81.8 37.4 8.5 0.5 3.8 18 18 A R E < -A 14 0A 140 -4,-1.0 -4,-3.6 -6,-0.1 2,-0.6 -0.905 67.2-110.4-133.2 163.1 6.7 -0.3 0.6 19 19 A a E +A 13 0A 23 -2,-0.3 -6,-0.2 -6,-0.3 -7,-0.1 -0.814 37.0 177.7 -96.0 121.3 3.6 0.8 -1.2 20 20 A K E -A 12 0A 104 -8,-1.4 -8,-4.5 -2,-0.6 2,-0.4 -0.983 29.3-122.4-127.9 131.7 0.8 -1.9 -1.4 21 21 A P E -A 11 0A 55 0, 0.0 -10,-0.3 0, 0.0 -12,-0.0 -0.525 9.8-150.2 -72.7 124.7 -2.7 -1.4 -2.9 22 22 A T 0 0 103 -12,-2.7 -11,-0.1 -2,-0.4 0, 0.0 0.730 360.0 360.0 -67.1 -19.4 -5.4 -2.1 -0.4 23 23 A F 0 0 250 -13,-0.4 0, 0.0 -3,-0.0 0, 0.0 -0.149 360.0 360.0 -98.4 360.0 -7.6 -3.3 -3.3