Figure 5
Cross-linked sealant systems: (a) sealant1-cis formed as peptide dimer, (b) sealant1-trans formed as peptide trimer, (c) sealant2-trans type1 formed as peptide trimer (two peptide2 and one peptide3), (d) sealant2-trans type2 formed as peptide trimer (two peptide3 and one peptide2), (e) sealant3-cis type1 formed as peptide trimer (two peptide4 and one peptide5) and (f) sealant3-cis type2 formed as peptide trimer (two peptide5 and one peptide1). The first column shows spatial arrangement of the isopepide cross-linking (black curved lines) and the peptides are simplified as grey bars with assigned peptide number. The second column shows energy minimized structures and the third column shows corresponding structures after MD simulation. The secondary structural elements are shown as cartoon and interacting Lys and Gln pairs forming isopeptide bonds are shown in ball and stick.
