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Molecular dynamics trajectories show less torsion angle variability in the backbone than in the side chain, according to the packing environment of each residue.
Structural analysis suggested that the local packing environment of position 67 involved two regions of apparent insertions that distorted the tertiary structure symmetry inherent in the β-trefoil architecture.
The conformational changes are not due to changes in the crystal packing environment, as minimal crystal contacts were observed around the Rrp4 ring.
The packing environment of residues in the model and the template together with their comparison with the expected value.
As features on the surface of the molecule, all these differences could result from the different crystal packing environment around each molecule.
This difference may be however influenced by differences in crystal packing environment, but it might also be a consequence of the lack of a WEF peptide binding to MO25β.
Similar(53)
The sum of all pairwise interaction energies involving molecule A is 6.5 kJ mol−1 higher than the corresponding sum for molecule B. This reflects somewhat different packing environments which are associated with different molecular conformations (see below).
The three crystal forms of Pat-C provide nine independent structures, in distinct molecular packing environments.
We reasoned that mutating buried residues with different packing environments in the curved and straight conformations might provide a way to perturb the conformational cycle.
Most remarkably, the apo conformations of the transport domain are nearly identical in the outward- and inward-facing states and are therefore independent of the transport domain orientations and crystal packing environments.
This seems to be in line with our observation of rigidity in the overall structure of the MyTH4 FERM cassette, which exhibits no significant conformational changes in the free and DCC-bound states or in different crystal packing environments.
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