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The excess lipids that could not be accommodated at the interface in the 5.2% simulations formed an aggregate in the middle of the membrane.
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However, the environment of the ATP binding site is altered in the two filament reconstructions, suggesting that nucleotide cannot be as easily accommodated at the protomer interface of the compressed filament.
The 1.63 Å (1 Å = 0.1 nm) structure of the variant demonstrates that the mutation is accommodated at the dimer interface to generate an enzyme with substantially the same activity and specificity as wild-type caspase-3.
In the original manuscript we stated: "Conceptually, this residue could be accommodated at the Pikp-HMA/AVR-PikD interface without disruption to the interaction.
Conceptually, this residue could be accommodated at the Pikp-HMA/AVR-PikD interface without generating significant steric clashes, but the interactions formed at this site (e.g., hydrogen bonding pattern) will be fundamentally different.
In our revision, we now state: "Conceptually, this residue could be accommodated at the Pikp-HMA/AVR-PikD interface without generating significant steric clashes, but the interactions formed at this site (e.g. hydrogen bonding pattern) will be fundamentally different.
Here, {111} twin creates favorable nucleation sites at the growth interfaces and atoms arriving from the vapor phase can readily accommodated at the nucleation sites, which will drive a rapid net growth in the < 112 > direction.
Although His is accommodated in the interface, the structural defects are propagated to the active site through a helix on the protein surface.
The triangular mesh is regenerated at each time step to accommodate the changes in the interface position using a Delaunay triangulation.
GB structural transformation accommodates defect interactions at the interface.
The peptide closely interacts with strand βn revealing how the P2, P3, and P4 residues of the substrate are accommodated in specificity pockets formed at the interface of the two protease subdomains.
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