Overall protein structure quality assessment using hydrogen-bonding parameters.

ABSTRACT: Atomic model refinement at low resolution is often a challenging task. This is mostly because the experimental data are not sufficiently detailed to be described by atomic models. To make refinement practical and ensure that a refined atomic model is geometrically meaningful, additional information needs to be used such as restraints on Ramachandran plot distributions or residue side-chain rotameric states. However, using Ramachandran plots or rotameric states as refinement targets diminishes the validating power of these tools. Therefore, finding additional model-validation criteria that are not used or are difficult to use as refinement goals is desirable. Hydrogen bonds are one of the important noncovalent interactions that shape and maintain protein structure. These interactions can be

SUBMITTER: Afonine PV 

PROVIDER: S-EPMC10394671 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature