==== 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 20-DEC-12 2M2G . COMPND 2 MOLECULE: [ABA3,16]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) . 2066.0 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 67 0, 0.0 2,-0.6 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -33.6 -11.8 -2.3 1.4 2 2 A V E -A 17 0A 84 15,-2.0 15,-3.0 2,-0.0 2,-0.6 -0.808 360.0-140.8 -98.6 120.2 -9.4 -3.3 -1.2 3 3 A X E +A 16 0A 66 -2,-0.6 2,-0.4 13,-0.3 13,-0.3 -0.682 27.2 175.2 -80.0 117.4 -6.0 -4.5 0.1 4 4 A R E -A 15 0A 156 11,-3.0 11,-3.0 -2,-0.6 2,-0.6 -0.967 22.9-138.7-122.2 138.7 -3.3 -3.3 -2.1 5 5 A a E -A 14 0A 75 -2,-0.4 2,-0.5 9,-0.3 9,-0.3 -0.883 18.3-168.6-104.6 130.2 0.3 -3.7 -1.4 6 6 A V E -A 13 0A 75 7,-3.2 7,-3.3 -2,-0.6 2,-0.5 -0.954 7.6-157.5-119.2 127.8 2.6 -0.9 -2.1 7 7 A b E +A 12 0A 87 -2,-0.5 2,-0.3 5,-0.3 5,-0.3 -0.918 17.4 172.3-104.8 134.1 6.3 -1.1 -2.1 8 8 A R E > -A 11 0A 205 3,-3.2 3,-1.9 -2,-0.5 -2,-0.0 -0.906 62.4 -28.0-150.1 112.9 8.2 2.1 -1.6 9 9 A R T 3 S- 0 0 244 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.890 128.3 -38.3 49.4 54.4 11.9 2.5 -1.1 10 10 A G T 3 S+ 0 0 83 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.274 119.1 106.7 88.8 -12.3 12.6 -0.9 0.4 11 11 A V E < -A 8 0A 77 -3,-1.9 -3,-3.2 2,-0.0 2,-0.6 -0.881 49.7-166.6-105.3 121.7 9.4 -0.9 2.4 12 12 A b E -A 7 0A 90 -2,-0.6 2,-0.5 -5,-0.3 -5,-0.3 -0.937 12.0-178.9-108.8 120.3 6.6 -3.2 1.2 13 13 A R E -A 6 0A 163 -7,-3.3 -7,-3.2 -2,-0.6 2,-0.7 -0.968 22.0-151.1-125.0 120.4 3.3 -2.4 2.9 14 14 A a E +A 5 0A 88 -2,-0.5 2,-0.4 -9,-0.3 -9,-0.3 -0.828 31.4 177.8 -86.4 120.5 0.0 -4.2 2.4 15 15 A V E -A 4 0A 31 -11,-3.0 -11,-3.0 -2,-0.7 2,-0.6 -0.974 32.4-120.4-132.2 141.2 -2.6 -1.6 3.0 16 16 A X E -A 3 0A 74 -2,-0.4 2,-0.8 -13,-0.3 -13,-0.3 -0.693 21.1-164.5 -79.9 121.1 -6.3 -1.5 2.9 17 17 A R E A 2 0A 147 -15,-3.0 -15,-2.0 -2,-0.6 -1,-0.0 -0.850 360.0 360.0-109.8 85.7 -7.6 1.0 0.5 18 18 A R 0 0 254 -2,-0.8 -1,-0.1 -17,-0.3 -15,-0.1 0.850 360.0 360.0 54.4 360.0 -11.2 1.4 1.4