==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 02-JAN-13 2M2S . COMPND 2 MOLECULE: [ABA5,7,12,14]BTD-2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.C.CONIBEAR,K.ROSENGREN,N.L.DALY,S.TROIERA HENRIQUES,D.J.CR . 18 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 94.4 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 . 8 44.4 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 . 9 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 1 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 G 0 0 77 0, 0.0 2,-0.7 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -9.8 -12.4 -3.4 -0.8 2 2 A V E -A 17 0A 79 15,-2.0 15,-3.1 2,-0.0 2,-0.8 -0.847 360.0-163.2 -98.9 113.9 -9.5 -1.5 -2.4 3 3 A a E -A 16 0A 74 -2,-0.7 2,-0.7 13,-0.3 13,-0.3 -0.871 7.7-174.4 -98.8 107.0 -6.2 -3.2 -1.9 4 4 A R E -A 15 0A 147 11,-3.1 11,-2.6 -2,-0.8 2,-0.9 -0.910 6.5-164.9-104.9 110.0 -3.4 -0.8 -2.6 5 5 A X E -A 14 0A 74 -2,-0.7 2,-0.4 9,-0.3 9,-0.3 -0.852 10.5-174.3 -97.5 102.0 -0.1 -2.4 -2.4 6 6 A V E -A 13 0A 72 7,-2.9 7,-3.2 -2,-0.9 2,-0.4 -0.746 3.7-165.5 -93.7 142.6 2.5 0.3 -2.2 7 7 A X E -A 12 0A 82 -2,-0.4 2,-0.6 5,-0.2 5,-0.3 -0.979 14.0-173.3-134.4 120.7 6.1 -0.6 -2.4 8 8 A R E > S-A 11 0A 199 3,-2.5 3,-1.1 -2,-0.4 4,-0.1 -0.692 76.7 -56.7-113.3 74.8 8.9 1.7 -1.5 9 9 A R T 3 S- 0 0 243 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.975 125.3 -19.1 52.5 69.1 11.9 -0.4 -2.5 10 10 A G T 3 S+ 0 0 68 1,-0.2 2,-1.5 0, 0.0 -1,-0.3 -0.106 112.0 111.7 98.5 -36.2 11.2 -3.4 -0.4 11 11 A V E < -A 8 0A 78 -3,-1.1 -3,-2.5 2,-0.0 2,-0.4 -0.581 52.8-169.7 -75.5 91.0 8.9 -1.6 1.9 12 12 A X E -A 7 0A 70 -2,-1.5 2,-0.4 -5,-0.3 -5,-0.2 -0.722 11.7-178.1 -87.3 131.3 5.7 -3.3 0.9 13 13 A R E -A 6 0A 149 -7,-3.2 -7,-2.9 -2,-0.4 2,-1.0 -0.879 1.2-176.5-132.8 96.1 2.5 -1.8 2.3 14 14 A X E -A 5 0A 77 -2,-0.4 2,-0.6 -9,-0.3 -9,-0.3 -0.824 8.0-178.7 -99.3 97.8 -0.6 -3.7 1.2 15 15 A V E -A 4 0A 49 -11,-2.6 -11,-3.1 -2,-1.0 2,-0.8 -0.882 12.8-164.4-102.8 118.2 -3.6 -1.8 2.6 16 16 A a E +A 3 0A 86 -2,-0.6 2,-0.5 -13,-0.3 -13,-0.3 -0.896 22.2 165.7-100.4 105.2 -7.0 -3.3 1.9 17 17 A R E A 2 0A 170 -15,-3.1 -15,-2.0 -2,-0.8 -2,-0.1 -0.983 360.0 360.0-131.3 118.8 -9.4 -0.6 2.6 18 18 A R 0 0 251 -2,-0.5 -1,-0.1 -17,-0.3 -15,-0.1 0.785 360.0 360.0 63.8 360.0 -13.0 -0.5 1.6