==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PEPTIDE 21-NOV-03 1RKK . COMPND 2 MOLECULE: POLYPHEMUSIN I; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.P.S.POWERS,A.ROZEK,R.E.W.HANCOCK . 18 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 22.2 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 . 3 16.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 5.6 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 5.6 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 . 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+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 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 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 R 0 0 249 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.8 1.0 -3.9 3.3 2 2 A R + 0 0 173 16,-0.1 15,-0.0 15,-0.0 0, 0.0 0.546 360.0 23.3 62.9 136.6 -0.6 -7.3 3.5 3 3 A W S S- 0 0 196 15,-0.2 14,-0.2 14,-0.0 13,-0.0 0.887 137.8 -12.1 39.7 93.1 -3.8 -7.8 5.4 4 4 A a - 0 0 39 12,-0.4 13,-0.2 1,-0.1 11,-0.0 0.586 67.1-144.5 60.7 133.7 -5.3 -4.3 5.3 5 5 A F - 0 0 108 11,-0.3 10,-0.1 2,-0.1 12,-0.1 0.865 19.3-169.3 -97.6 -48.6 -3.0 -1.4 4.1 6 6 A R + 0 0 204 1,-0.2 2,-0.3 7,-0.1 9,-0.2 0.858 13.7 167.7 57.9 105.7 -4.1 1.5 6.3 7 7 A V E -A 14 0A 74 7,-0.5 7,-1.8 2,-0.0 2,-0.6 -0.856 26.6-148.2-153.8 114.6 -2.5 4.7 4.9 8 8 A b E -A 13 0A 96 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.711 4.7-165.4 -86.2 123.1 -3.4 8.3 5.9 9 9 A Y - 0 0 173 3,-3.1 4,-0.1 -2,-0.6 -1,-0.1 -0.195 61.7 -84.1 -98.8 44.1 -2.8 10.8 3.0 10 10 A R S S+ 0 0 231 1,-0.2 3,-0.1 -2,-0.2 -2,-0.1 0.941 124.6 16.2 58.6 45.9 -3.0 13.9 5.2 11 11 A G S S+ 0 0 79 1,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.071 124.0 51.2 152.8 -41.9 -6.8 13.9 5.0 12 12 A F - 0 0 161 -5,-0.0 -3,-3.1 -3,-0.0 2,-0.5 -0.974 61.1-164.9-127.7 125.9 -8.0 10.5 3.8 13 13 A b E -A 8 0A 40 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.1 -0.902 15.0-136.8-111.0 133.9 -6.8 7.2 5.3 14 14 A Y E +A 7 0A 158 -7,-1.8 -7,-0.5 -2,-0.5 -6,-0.0 -0.356 24.1 171.7 -80.8 166.2 -7.3 3.8 3.5 15 15 A R + 0 0 166 -9,-0.2 2,-0.5 -10,-0.1 -11,-0.0 -0.269 14.8 142.8-175.3 79.0 -8.6 0.7 5.3 16 16 A K - 0 0 129 2,-0.0 -12,-0.4 -13,-0.0 2,-0.3 -0.929 31.1-154.2-130.2 112.6 -9.5 -2.4 3.3 17 17 A a 0 0 86 -2,-0.5 -14,-0.0 -13,-0.2 -2,-0.0 -0.655 360.0 360.0 -85.0 136.8 -8.7 -5.9 4.7 18 18 A R 0 0 242 -2,-0.3 -15,-0.2 0, 0.0 -16,-0.1 -0.480 360.0 360.0-175.1 360.0 -8.2 -8.7 2.1