==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 02-MAY-04 1T55 . COMPND 2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT; . SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS; . AUTHOR K.LEE,S.Y.SHIN,K.KIM,S.S.LIM,K.S.HAHM,Y.KIM . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 46.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 30.8 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 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 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 I 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.2 10.0 4.7 0.7 2 2 A L + 0 0 149 1,-0.0 5,-0.1 3,-0.0 4,-0.0 0.616 360.0 167.8-112.7 -89.5 8.6 1.4 -0.6 3 3 A G >> + 0 0 25 3,-0.1 4,-2.0 1,-0.1 3,-0.9 0.811 15.0 161.0 76.4 27.4 4.9 0.6 -0.1 4 4 A K T 34 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.789 87.7 16.7 -53.3 -23.0 5.1 -2.3 -2.6 5 5 A I T 34 S+ 0 0 101 3,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.230 122.8 62.5-133.0 12.0 1.9 -3.5 -0.9 6 6 A W T <> S+ 0 0 170 -3,-0.9 4,-1.8 3,-0.2 5,-0.2 0.655 84.6 71.9-110.4 -23.7 0.7 -0.4 0.9 7 7 A K T < S+ 0 0 163 -4,-2.0 -3,-0.1 1,-0.2 4,-0.1 0.898 118.9 20.1 -59.9 -37.6 0.1 2.0 -2.0 8 8 A P T >> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.829 121.5 57.7 -99.0 -44.3 -2.9 -0.1 -2.9 9 9 A I H 3> S+ 0 0 59 -4,-0.3 4,-1.6 1,-0.3 -3,-0.2 0.919 101.9 58.2 -54.3 -42.2 -3.7 -1.9 0.3 10 10 A K H 3< S+ 0 0 139 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.796 106.2 51.4 -60.2 -23.7 -4.0 1.5 2.1 11 11 A K H <4 S+ 0 0 177 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.907 108.5 47.3 -80.8 -42.2 -6.7 2.4 -0.4 12 12 A L H < 0 0 146 -4,-1.8 -2,-0.2 0, 0.0 -1,-0.2 0.730 360.0 360.0 -71.5 -18.0 -8.8 -0.8 0.1 13 13 A F < 0 0 207 -4,-1.6 0, 0.0 -5,-0.3 0, 0.0 -0.621 360.0 360.0-110.8 360.0 -8.5 -0.3 3.9