==== 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 04-DEC-12 2M1P . COMPND 2 MOLECULE: [ABA5,14]BTD-2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.C.CONIBEAR,K.ROSENGREN,N.L.DALY,S.TROIERA HENRIQUES,D.J.CR . 18 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 88.9 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 . 8 44.4 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 80 0, 0.0 2,-0.6 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -8.0 -12.1 -2.5 1.9 2 2 A V E -A 17 0A 93 15,-1.8 15,-3.1 2,-0.0 2,-0.6 -0.915 360.0-156.2-112.5 113.2 -9.4 -2.4 -0.8 3 3 A a E -A 16 0A 79 -2,-0.6 2,-0.5 13,-0.3 13,-0.3 -0.791 12.9-170.6 -89.9 124.0 -6.0 -3.5 0.1 4 4 A R E -A 15 0A 166 11,-3.4 11,-2.6 -2,-0.6 2,-0.6 -0.967 15.4-143.1-119.5 123.2 -3.4 -2.0 -2.1 5 5 A X E -A 14 0A 71 -2,-0.5 2,-0.5 9,-0.3 9,-0.3 -0.771 21.2-178.3 -87.6 119.6 0.2 -3.1 -2.2 6 6 A V E -A 13 0A 43 7,-3.3 7,-3.2 -2,-0.6 2,-0.5 -0.983 11.8-153.4-118.5 126.7 2.6 -0.2 -2.7 7 7 A b E +A 12 0A 71 -2,-0.5 2,-0.4 5,-0.3 5,-0.3 -0.896 15.4 175.6-106.4 131.2 6.2 -0.8 -2.9 8 8 A R E > S-A 11 0A 187 3,-2.9 3,-1.7 -2,-0.5 -2,-0.0 -0.981 72.4 -9.1-138.3 120.8 8.7 1.8 -1.9 9 9 A R T 3 S- 0 0 237 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.791 130.2 -56.6 64.0 29.8 12.5 1.3 -1.8 10 10 A G T 3 S+ 0 0 73 1,-0.3 2,-0.7 0, 0.0 -1,-0.3 0.475 114.7 122.4 81.6 2.0 11.8 -2.4 -2.3 11 11 A V E < -A 8 0A 74 -3,-1.7 -3,-2.9 2,-0.0 2,-0.6 -0.866 51.7-153.7 -99.6 111.9 9.7 -2.3 0.8 12 12 A b E -A 7 0A 78 -2,-0.7 2,-0.5 -5,-0.3 -5,-0.3 -0.784 13.6-176.5 -92.7 124.9 6.2 -3.5 -0.1 13 13 A R E -A 6 0A 167 -7,-3.2 -7,-3.3 -2,-0.6 2,-0.9 -0.983 17.9-148.8-122.3 126.1 3.5 -2.3 2.1 14 14 A X E -A 5 0A 57 -2,-0.5 2,-0.4 -9,-0.3 -9,-0.3 -0.850 19.7-173.4 -95.5 105.5 -0.1 -3.3 1.8 15 15 A V E -A 4 0A 63 -11,-2.6 -11,-3.4 -2,-0.9 2,-0.5 -0.810 13.5-143.1 -97.3 139.4 -2.2 -0.4 2.9 16 16 A a E -A 3 0A 82 -2,-0.4 2,-0.5 -13,-0.3 -13,-0.3 -0.908 17.2-176.9-111.3 131.5 -5.9 -1.0 3.1 17 17 A R E A 2 0A 180 -15,-3.1 -15,-1.8 -2,-0.5 -2,-0.0 -0.954 360.0 360.0-135.6 109.4 -8.3 1.6 2.2 18 18 A R 0 0 251 -2,-0.5 -1,-0.1 -17,-0.3 -15,-0.1 0.883 360.0 360.0 51.6 360.0 -12.1 1.2 2.5