involves special connectivity to other residues, update ``specbond.dat``. Note that if allyou are doing is simulating some weird ligand in water, or some weird ligand with a normal protein then the above is more
The models are tested by mutagenesis using an MHC and a TCR mutated to alter conformation changes. The extensive comparisons between theory and experiment provide model validation and testable hypothesis regarding specific conformational changes that control bond profiles, thereby suggesting structural ...
The crystal structure of CUS revealed that the overall structure is analogous to those of other type III PKSs, whereas the aforementioned residues in CUS form a large and unique downward expansion of the active site (Fig. 4) (51). Thus, in the CUS active site, the Asn142 and Tyr207 ...
Movie S2. 3D Reconstruction and Architecture of Phi-Dynein, Related to Figure 1 Movie S3. Conformational Changes between Two Distinct States of Phi-Dynein, Related to Figure 2 Movie S4. Interaction between HCs in the Phi-Dynein Tail, Related to Figure 2 Movie S5. 2D Classes of Spontaneously...
to dissect the complete substrate exchange cycle of the bacterial NO3−/NO2−antiporter, NarK. We show that paired basic residues in thebinding siteprevent the closure of unbound protein and ensure the exchange of two substrates. Conformational transition occurs only in the presence of substrate...