==== 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 1T54 . 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) . 1662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 38.5 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 . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 7.7 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 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 0 176 0, 0.0 3,-2.0 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 154.6 9.0 0.8 1.8 2 2 A L T 3 + 0 0 186 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.331 360.0 50.1 -56.9 95.6 10.6 -0.1 -1.6 3 3 A G T 3 S- 0 0 38 -2,-1.1 -1,-0.2 2,-0.0 4,-0.1 0.131 86.1-136.1 160.9 -26.4 7.4 -1.2 -3.4 4 4 A K X + 0 0 145 -3,-2.0 3,-0.9 1,-0.1 4,-0.2 0.790 62.4 134.9 53.6 22.8 4.7 1.4 -2.9 5 5 A I T 3 S+ 0 0 126 1,-0.2 3,-0.5 -4,-0.2 -1,-0.1 0.867 72.3 42.7 -71.4 -33.5 2.4 -1.5 -2.2 6 6 A A T 3 S+ 0 0 66 1,-0.2 3,-0.4 -5,-0.2 -1,-0.2 0.248 80.2 109.8 -95.4 15.1 0.9 0.2 0.9 7 7 A E S < S- 0 0 149 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.803 102.0 -7.8 -60.7 -24.5 0.7 3.6 -0.9 8 8 A G S S+ 0 0 49 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.0 -0.463 103.1 90.3-173.5 93.3 -3.1 3.1 -0.9 9 9 A I >> + 0 0 71 -3,-0.4 4,-1.6 -2,-0.1 3,-0.9 0.372 68.3 72.7-157.6 -35.9 -4.8 -0.1 0.2 10 10 A K T 34 S+ 0 0 173 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.910 99.0 53.4 -59.3 -39.6 -5.6 0.0 4.0 11 11 A S T 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.740 112.1 46.3 -68.8 -18.6 -8.4 2.6 3.3 12 12 A L T <4 0 0 137 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.664 360.0 360.0 -96.2 -17.9 -9.9 0.2 0.7 13 13 A F < 0 0 219 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 -0.145 360.0 360.0-119.6 360.0 -9.6 -2.9 2.9