==== 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 03-JAN-13 2M2X . COMPND 2 MOLECULE: [ABA3,5,7,12,14,16]BTD-2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.C.CONIBEAR,K.ROSENGREN,N.L.DALY,S.TROIERA HENRIQUES,D.J.CR . 18 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 50.0 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 . 5 27.8 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 . 4 22.2 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+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 . 1 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 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 83 0, 0.0 2,-0.3 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -20.6 -12.3 -1.7 -1.7 2 2 A V E +A 17 0A 55 15,-1.5 15,-2.9 2,-0.0 2,-0.4 -0.824 360.0 161.0-150.3 103.2 -8.6 -2.0 -2.4 3 3 A X E -A 16 0A 62 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.977 24.4-145.7-122.4 136.3 -5.9 -1.0 0.1 4 4 A R - 0 0 145 11,-2.6 2,-0.4 -2,-0.4 11,-0.2 -0.735 3.1-153.5-102.4 153.2 -2.3 -2.2 -0.0 5 5 A X + 0 0 112 -2,-0.3 2,-0.5 7,-0.1 11,-0.0 -0.750 40.1 136.9-126.6 79.5 -0.1 -2.9 3.0 6 6 A V + 0 0 51 -2,-0.4 7,-1.4 2,-0.1 2,-0.1 -0.996 19.8 172.6-128.7 123.6 3.4 -2.4 1.9 7 7 A X B +B 12 0B 93 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.546 28.0 135.9-132.1 65.6 5.8 -0.6 4.1 8 8 A R - 0 0 166 3,-3.0 2,-1.1 -2,-0.1 3,-0.2 -0.706 66.1 -88.1-113.0 164.0 9.2 -0.9 2.5 9 9 A R S S+ 0 0 258 1,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.609 119.6 5.3 -76.8 100.0 12.0 1.5 2.0 10 10 A G S S+ 0 0 79 -2,-1.1 2,-0.6 0, 0.0 -1,-0.3 -0.093 124.8 72.0 116.1 -29.0 11.1 3.0 -1.3 11 11 A V + 0 0 88 -3,-0.2 -3,-3.0 2,-0.0 2,-0.3 -0.875 60.4 162.8-124.4 94.4 7.8 1.2 -1.7 12 12 A X B -B 7 0B 84 -2,-0.6 2,-1.4 -5,-0.2 -5,-0.2 -0.768 48.6 -94.9-109.6 157.5 5.2 2.5 0.7 13 13 A R + 0 0 111 -7,-1.4 -2,-0.0 -2,-0.3 -6,-0.0 -0.577 53.8 151.9 -80.0 93.6 1.5 2.0 0.5 14 14 A X + 0 0 117 -2,-1.4 2,-0.6 -11,-0.0 -1,-0.2 -0.001 50.3 97.9-104.8 24.1 0.1 4.9 -1.3 15 15 A V + 0 0 66 -11,-0.2 -11,-2.6 2,-0.0 2,-0.3 -0.950 39.8 145.0-118.0 107.2 -2.7 2.8 -2.6 16 16 A X E +A 3 0A 65 -2,-0.6 2,-0.3 -13,-0.2 -13,-0.3 -0.762 10.8 153.6-149.2 90.4 -5.8 3.2 -0.5 17 17 A R E A 2 0A 181 -15,-2.9 -15,-1.5 -2,-0.3 -2,-0.0 -0.868 360.0 360.0-115.7 156.8 -9.1 2.9 -2.2 18 18 A R 0 0 241 -2,-0.3 -15,-0.0 -17,-0.3 -2,-0.0 -0.550 360.0 360.0 -77.5 360.0 -12.4 1.9 -0.6