==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 25-APR-13 2M7J . COMPND 2 MOLECULE: BETA-HAIRPIN PEPTIDOMIMETIC ANTIBIOTIC TWLKKRRWKK . SOURCE 2 SYNTHETIC: YES . AUTHOR K.MOEHLE,J.SCHMIDT,J.ROBINSON . 14 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 14.3 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 . 0 0.0 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 . 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-2), SAME NUMBER PER 100 RESIDUES . 1 7.1 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 . 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+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 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 . 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 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 T 0 0 103 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.9 6.9 -3.2 -0.0 2 2 A W + 0 0 126 11,-0.2 8,-0.1 12,-0.2 9,-0.1 0.164 360.0 146.9 -52.8-177.6 3.9 -1.6 -1.8 3 3 A L - 0 0 103 6,-0.8 -1,-0.1 7,-0.0 7,-0.1 -0.076 35.1-149.3 176.5 -56.6 0.6 -3.5 -1.9 4 4 A K + 0 0 109 5,-0.3 5,-0.2 6,-0.2 7,-0.0 0.899 50.5 119.0 61.3 103.2 -2.3 -1.1 -1.9 5 5 A K S S+ 0 0 180 3,-0.1 2,-0.3 0, 0.0 4,-0.0 0.267 78.0 15.7-155.4 -55.1 -5.2 -2.6 -0.1 6 6 A R S S- 0 0 219 3,-0.1 3,-0.1 0, 0.0 -2,-0.1 -0.798 138.6 -30.8-139.3 93.5 -6.2 -0.6 2.9 7 7 A R S S+ 0 0 258 1,-0.4 2,-0.2 -2,-0.3 0, 0.0 0.178 109.9 119.3 84.2 -17.5 -4.8 2.9 3.1 8 8 A W + 0 0 137 1,-0.1 -1,-0.4 -6,-0.0 2,-0.2 -0.506 36.3 165.4 -80.1 150.1 -1.8 1.6 1.3 9 9 A K - 0 0 135 1,-0.6 -6,-0.8 -2,-0.2 -5,-0.3 -0.382 43.2 -13.5-136.4-146.3 -1.0 3.1 -2.1 10 10 A K S S- 0 0 166 1,-0.2 -1,-0.6 -2,-0.2 -6,-0.2 0.174 109.9 -31.6 -50.6 180.0 2.0 3.2 -4.5 11 11 A A S S+ 0 0 80 -9,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.087 71.2 173.0 -40.0 125.7 5.4 2.0 -3.4 12 12 A K - 0 0 130 -3,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.746 47.3 -71.8-148.3 92.1 5.6 2.8 0.3 13 13 A X 0 0 119 -2,-0.2 -11,-0.2 1,-0.2 -1,-0.1 -0.410 360.0 360.0 71.5-118.8 8.7 1.6 2.3 14 14 A P 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -12,-0.2 0.769 360.0 360.0 -59.0 360.0 8.9 -2.2 3.1