==== 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 1T51 . 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) . 1658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 61.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 53.8 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 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 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 0 182 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.9 -9.3 -3.6 1.1 2 2 A L + 0 0 184 1,-0.3 2,-0.1 2,-0.1 0, 0.0 0.547 360.0 13.3 -83.8 -4.6 -7.8 -3.3 4.5 3 3 A G > + 0 0 25 1,-0.0 4,-1.4 2,-0.0 -1,-0.3 -0.405 61.0 166.0-169.6 84.2 -5.2 -0.8 3.2 4 4 A K H > S+ 0 0 150 -3,-0.3 4,-0.7 2,-0.2 3,-0.5 0.970 90.5 41.2 -69.7 -51.1 -5.6 0.7 -0.3 5 5 A I H > S+ 0 0 133 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.785 112.1 59.3 -67.4 -22.8 -2.9 3.4 0.2 6 6 A W H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.834 89.2 70.8 -75.3 -30.0 -0.8 0.7 1.9 7 7 A E H X S+ 0 0 119 -4,-1.4 4,-0.6 -3,-0.5 -1,-0.2 0.902 104.7 41.2 -53.7 -38.9 -0.8 -1.5 -1.2 8 8 A G H X S+ 0 0 43 -4,-0.7 4,-1.5 -3,-0.2 -1,-0.2 0.860 111.6 56.9 -78.4 -34.2 1.5 1.1 -2.9 9 9 A I H >X S+ 0 0 86 -4,-1.1 3,-1.0 1,-0.2 4,-0.8 0.981 106.1 47.4 -61.5 -55.2 3.6 1.6 0.3 10 10 A K H 3< S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.786 110.5 56.7 -58.2 -22.4 4.5 -2.1 0.6 11 11 A S H 3< S+ 0 0 93 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.820 97.5 59.5 -79.7 -29.3 5.4 -1.9 -3.1 12 12 A L H << 0 0 152 -4,-1.5 -1,-0.2 -3,-1.0 -2,-0.2 0.702 360.0 360.0 -72.2 -15.4 7.9 0.9 -2.6 13 13 A F < 0 0 234 -4,-0.8 -3,-0.2 -3,-0.2 -2,-0.1 0.312 360.0 360.0-154.6 360.0 9.9 -1.4 -0.3