==== 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 2M2H . COMPND 2 MOLECULE: [ABA3,7,12,16]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) . 2033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19105.6 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 . 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 . 11 61.1 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 76 0, 0.0 2,-0.9 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -18.5 11.4 -2.0 -3.0 2 2 A V E -A 17 0A 77 15,-1.9 15,-3.1 2,-0.0 2,-0.8 -0.738 360.0-150.3 -87.2 104.7 8.9 -2.4 -0.2 3 3 A X E -A 16 0A 89 -2,-0.9 2,-0.5 13,-0.3 13,-0.3 -0.697 23.1-176.0 -74.7 109.5 5.8 -3.8 -1.6 4 4 A R E -A 15 0A 140 11,-3.1 11,-2.9 -2,-0.8 2,-0.7 -0.956 19.3-153.7-117.3 125.9 3.1 -2.4 0.6 5 5 A a E -A 14 0A 72 -2,-0.5 2,-0.4 9,-0.3 9,-0.3 -0.891 18.4-175.3 -98.4 115.3 -0.5 -3.2 0.4 6 6 A V E -A 13 0A 54 7,-3.1 7,-3.2 -2,-0.7 2,-0.8 -0.934 25.4-128.3-113.6 134.4 -2.6 -0.4 1.7 7 7 A X E -A 12 0A 84 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.757 26.1-172.7 -84.0 112.7 -6.3 -0.6 2.0 8 8 A R E > S-A 11 0A 163 3,-3.4 3,-2.0 -2,-0.8 -2,-0.0 -0.910 71.3 -36.3-112.7 98.5 -7.7 2.4 0.3 9 9 A R T 3 S- 0 0 252 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.924 125.5 -42.2 53.1 51.1 -11.4 2.6 0.9 10 10 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.013 117.0 112.8 90.6 -28.5 -11.8 -1.1 0.8 11 11 A V E < -A 8 0A 85 -3,-2.0 -3,-3.4 1,-0.1 2,-0.9 -0.633 65.5-134.8 -85.3 129.5 -9.5 -1.6 -2.2 12 12 A X E -A 7 0A 82 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.732 25.0-170.5 -85.6 106.3 -6.3 -3.4 -1.5 13 13 A R E -A 6 0A 146 -7,-3.2 -7,-3.1 -2,-0.9 2,-0.7 -0.883 6.7-166.0-104.4 110.6 -3.6 -1.4 -3.3 14 14 A a E +A 5 0A 74 -2,-0.7 2,-0.4 -9,-0.3 -9,-0.3 -0.874 17.5 168.9 -98.0 115.4 -0.2 -3.0 -3.4 15 15 A V E -A 4 0A 65 -11,-2.9 -11,-3.1 -2,-0.7 2,-0.7 -0.982 33.5-126.7-128.8 137.5 2.4 -0.5 -4.4 16 16 A X E -A 3 0A 92 -2,-0.4 2,-0.6 -13,-0.3 -13,-0.3 -0.770 24.7-173.9 -88.4 117.4 6.1 -0.9 -4.3 17 17 A R E A 2 0A 166 -15,-3.1 -15,-1.9 -2,-0.7 -2,-0.0 -0.931 360.0 360.0-116.3 102.1 7.7 1.9 -2.4 18 18 A R 0 0 240 -2,-0.6 -1,-0.1 -17,-0.3 -15,-0.1 0.887 360.0 360.0 57.2 360.0 11.5 1.7 -2.7