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Have a blast replicating viewpoints from other places, but keep in mind that the number of modeled structures is still limited to select locations in the United States.
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Structural constraints and prediction quality of the modeled structures were evaluated using WHATIF [ 35] and PROCHECK [ 36].
Modeled structures were subjected to energy minimization and final models presented high-quality local and overall stereochemistry with approximately 98% of amino acid residues lying in allowed regions of the Ramachandran plot.
Accuracy of the best obtained models, calculated as coordinate root-mean-square deviation (cRMSD) between the target and the modeled structures, was under 1 Å, which is competitive with experimental methods, such as crystallography or NMR.
All the calculations of modeled structures were carried out for 300 K.
Verify_3D showed that the overall scores of the modeled structures were greater than 85 indicating a good compatibility between the 3-D modeled structure and its corresponding 1-D amino acid sequence.
The modeled structures were then re-minimized.
Structure refinement of modeled structures was carried out using the Discovery Studio software suite version 3.0 (Accelrys Inc , USA.
Stereochemical properties of modeled structures were analyzed by procheck and verfiy3d (Sharad et al., 2014).
The modeled structures were validated by performing full geometric analysis with Procheck [ 11].
Finally, the feasibility of modeled structures was evaluated by Verify3D to ensure that all the predicted structures had an acceptable 3D-1D self-compatibility score.
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