==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 19-NOV-05 2F3A . COMPND 2 MOLECULE: AUREIN 1.2 ANALOG; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.WANG,X.LI,A.PETERKOFSKY . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 92.3 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 . 4 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 61.5 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 R >> 0 0 220 0, 0.0 3,-2.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0-168.4 9.5 -0.6 0.0 2 2 A L T 34 + 0 0 104 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.695 360.0 58.6 -46.1 -17.4 7.9 2.7 -0.4 3 3 A F T >> S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.788 79.5 79.9 -85.4 -29.3 5.3 0.6 -2.1 4 4 A D H <> S+ 0 0 101 -3,-2.9 4,-1.0 1,-0.3 -1,-0.2 0.778 100.3 47.1 -47.4 -22.5 4.6 -1.6 0.9 5 5 A K H 3X S+ 0 0 152 -4,-0.6 4,-1.6 -3,-0.3 -1,-0.3 0.805 103.0 59.0 -87.5 -34.7 2.5 1.5 1.7 6 6 A I H <> S+ 0 0 85 -3,-0.7 4,-0.8 -4,-0.5 -2,-0.2 0.679 105.2 54.5 -67.9 -16.6 0.9 1.7 -1.7 7 7 A R H X S+ 0 0 174 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.915 101.2 54.3 -82.0 -48.3 -0.4 -1.8 -1.0 8 8 A Q H >X S+ 0 0 141 -4,-1.0 3,-1.6 1,-0.2 4,-0.7 0.928 104.6 55.5 -51.1 -51.4 -2.1 -1.2 2.3 9 9 A V H >X S+ 0 0 47 -4,-1.6 3,-3.1 1,-0.3 4,-2.4 0.906 95.4 65.8 -49.6 -47.4 -4.2 1.7 0.8 10 10 A I H 3< S+ 0 0 98 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.853 91.3 64.6 -44.7 -36.4 -5.5 -0.7 -1.9 11 11 A R H << S+ 0 0 242 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.887 110.3 36.9 -54.9 -35.9 -7.2 -2.4 1.0 12 12 A K H << 0 0 168 -3,-3.1 -2,-0.3 -4,-0.7 -1,-0.3 0.786 360.0 360.0 -83.8 -30.1 -9.1 0.8 1.3 13 13 A F < 0 0 159 -4,-2.4 -2,-0.3 -5,-0.2 -1,-0.2 -0.495 360.0 360.0-174.2 360.0 -9.1 1.1 -2.5