==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 27-OCT-04 1XV4 . COMPND 2 MOLECULE: LACTOFERRIN-BASED SYNTHETIC PEPTIDE FQWQRNIRKVR; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.JAPELJ,P.PRISTOVSEK,A.MAJERLE,R.JERALA . 11 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 18.2 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 . 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 . 2 18.2 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 . 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 F 0 0 205 0, 0.0 2,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 1.9 0.2 -1.3 2 2 A Q + 0 0 197 2,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.431 360.0 147.3 -86.1 68.0 2.3 -2.6 -4.0 3 3 A W - 0 0 112 -2,-1.6 2,-1.0 1,-0.0 4,-0.1 -0.642 60.5-111.2 -97.8 159.7 6.0 -3.6 -3.4 4 4 A Q - 0 0 183 -2,-0.2 -2,-0.1 2,-0.1 -1,-0.0 -0.162 62.7 -93.1 -84.2 46.1 7.7 -7.0 -3.8 5 5 A R S S+ 0 0 230 -2,-1.0 -1,-0.1 1,-0.1 -3,-0.0 0.791 100.8 102.6 50.0 38.8 8.3 -7.5 0.1 6 6 A N + 0 0 158 1,-0.1 -2,-0.1 4,-0.0 -1,-0.1 -0.400 30.6 111.0-152.4 65.4 12.0 -5.9 0.0 7 7 A I S S- 0 0 81 2,-0.4 3,-0.1 -4,-0.1 -1,-0.1 0.846 96.4 -75.8 -93.9 -52.8 12.2 -2.3 1.3 8 8 A R S S- 0 0 236 1,-0.4 2,-0.1 -3,-0.0 3,-0.0 -0.139 98.6 -29.7 174.9 -64.0 14.1 -2.6 4.7 9 9 A K S S- 0 0 191 -3,-0.0 -2,-0.4 0, 0.0 -1,-0.4 -0.061 84.2 -80.5-134.7-111.5 11.4 -4.0 7.2 10 10 A V 0 0 126 -3,-0.1 -4,-0.0 -2,-0.1 -5,-0.0 0.556 360.0 360.0-130.4 -51.5 7.5 -3.4 6.9 11 11 A R 0 0 285 -3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.895 360.0 360.0 -55.5 360.0 6.8 0.1 8.5