==== 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 01-MAY-04 1T52 . 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) . 1577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 69.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 69.2 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 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 0 158 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.0 8.0 -0.7 1.5 2 2 A L H > + 0 0 121 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.940 360.0 32.5 -65.2 -44.4 7.0 2.0 -1.1 3 3 A G H > S+ 0 0 25 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.828 110.0 66.9 -81.8 -30.8 4.5 -0.3 -2.8 4 4 A K H > S+ 0 0 159 3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.867 106.4 43.5 -58.2 -32.4 3.6 -2.1 0.4 5 5 A I H X S+ 0 0 88 -4,-1.4 4,-2.6 2,-0.2 5,-0.4 0.970 117.5 41.1 -77.7 -56.8 2.0 1.2 1.6 6 6 A W H X S+ 0 0 170 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.848 125.6 39.4 -60.8 -31.1 0.2 2.2 -1.6 7 7 A K H X S+ 0 0 125 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.785 115.7 50.5 -89.3 -28.6 -0.9 -1.4 -2.1 8 8 A G H X S+ 0 0 38 -4,-1.4 4,-0.6 -5,-0.5 -2,-0.2 0.812 116.2 42.0 -78.8 -28.2 -1.6 -2.1 1.6 9 9 A I H X S+ 0 0 102 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.887 114.9 47.8 -85.1 -40.9 -3.7 1.0 2.0 10 10 A K H < S+ 0 0 136 -4,-1.1 -2,-0.2 -5,-0.4 -3,-0.1 0.784 111.8 52.6 -70.9 -23.5 -5.6 0.7 -1.3 11 11 A S H < S+ 0 0 89 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 108.0 50.1 -82.6 -24.9 -6.3 -3.0 -0.6 12 12 A L H < 0 0 147 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.733 360.0 360.0 -84.4 -21.4 -7.8 -2.2 2.9 13 13 A F < 0 0 219 -4,-1.2 -1,-0.2 -5,-0.0 -2,-0.1 0.828 360.0 360.0 -43.0 360.0 -10.1 0.4 1.5