==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 28-SEP-05 2B5K . COMPND 2 MOLECULE: POLYPHEMUSIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.P.S.POWERS,A.TAN,A.RAMAMOORTHY,R.E.W.HANCOCK . 19 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 31.6 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 15.8 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 . 1 5.3 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 . 3 15.8 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 0 197 0, 0.0 18,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 36.2 -11.2 -2.3 2.4 2 2 A R + 0 0 139 16,-0.1 17,-0.4 1,-0.1 15,-0.0 0.127 360.0 89.7 37.8-161.1 -9.6 -5.6 1.3 3 3 A W S S- 0 0 213 15,-0.1 -1,-0.1 16,-0.1 0, 0.0 0.943 76.1-144.9 42.8 66.0 -7.9 -5.4 -2.1 4 4 A a - 0 0 50 1,-0.1 14,-0.1 12,-0.1 12,-0.1 0.120 17.8-168.2 -48.4 176.3 -4.5 -4.4 -0.6 5 5 A F - 0 0 88 10,-0.1 2,-0.2 2,-0.0 10,-0.1 -0.301 20.1-138.0-172.8 77.2 -2.4 -1.9 -2.7 6 6 A R - 0 0 169 10,-0.1 2,-0.4 8,-0.1 10,-0.3 -0.150 27.7-148.3 -43.6 100.3 1.2 -1.3 -1.7 7 7 A V E -A 15 0A 70 8,-2.0 8,-2.7 -2,-0.2 2,-0.3 -0.605 7.5-148.2 -78.6 130.0 1.3 2.5 -2.2 8 8 A b E -A 14 0A 77 -2,-0.4 2,-0.4 6,-0.3 6,-0.3 -0.766 12.9-138.7 -99.2 143.8 4.7 3.8 -3.3 9 9 A Y - 0 0 185 4,-3.1 4,-0.2 -2,-0.3 5,-0.1 -0.125 58.7 -92.4 -90.5 41.8 6.0 7.2 -2.4 10 10 A R S S+ 0 0 226 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.957 116.8 42.1 48.7 82.5 7.4 7.8 -5.9 11 11 A G S S- 0 0 69 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.146 133.1 -52.7 147.2 -45.8 11.0 6.5 -5.4 12 12 A R S S+ 0 0 207 1,-0.2 2,-1.1 0, 0.0 -2,-0.1 0.068 91.6 120.7 170.8 -38.6 10.8 3.3 -3.3 13 13 A F + 0 0 164 -4,-0.2 -4,-3.1 -5,-0.1 2,-0.6 -0.225 39.2 166.1 -50.5 90.8 8.8 4.0 -0.1 14 14 A b E -A 8 0A 46 -2,-1.1 2,-0.4 -6,-0.3 -6,-0.3 -0.926 11.4-178.1-117.0 113.0 6.1 1.4 -0.8 15 15 A Y E -A 7 0A 159 -8,-2.7 -8,-2.0 -2,-0.6 2,-0.6 -0.858 21.0-135.5-111.4 146.2 3.9 0.5 2.1 16 16 A R - 0 0 168 -2,-0.4 -10,-0.1 -10,-0.3 -12,-0.1 -0.854 17.6-178.3-101.6 120.0 1.1 -2.1 2.0 17 17 A K - 0 0 132 -2,-0.6 -1,-0.1 -12,-0.1 -2,-0.0 -0.226 12.9-177.9-107.9 45.1 -2.2 -1.1 3.7 18 18 A a 0 0 72 1,-0.3 -15,-0.1 -14,-0.1 -16,-0.1 -0.162 360.0 360.0 -44.6 122.8 -4.1 -4.4 3.1 19 19 A R 0 0 218 -17,-0.4 -1,-0.3 -18,-0.1 -16,-0.1 0.784 360.0 360.0 55.1 360.0 -7.6 -3.7 4.5