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The atom clash score is calculated by evaluating non-bonded atom pairs for clashes using Eq. 1.
BCL Conf scoring includes a clash score that avoids atom overlap as well as a knowledge-based scoring function that scores conformations based on probabilities of fragment conformations that it contains.
The MolProbity clash score rises from 6.96 to 16.27 but no new clash arises from the substitution.
The MolProbity clash score rises from 6.96 to 16.29 but no new clash arises due to the substitution.
The MolProbity clash score rises from 6.96 to 16.08 and identifies a potential clash between E179 and the P180 backbone (0.464 Å).
The MolProbity clash score rises from 6.96 to 16.64 and identifies a potential clash between Y46 and N280 (0.489 Å): a likely hydrogen bond as noted below.
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MolProbity[21], [22] clash scores for both the whole protein and individual residues were also compared to identify structural clashes resulting from the mutations.
The match is Smith's 117th Test appearance, and he came into the clash having scored 9,257 Test runs at an average of 48.72.
As the clash unfolded, scores of soldiers rushed to the scene of the clashes in their own cars, battered sedans or old station wagons, haphazardly waving rifles and wearing ill-fitting and sometimes mismatched fatigues.
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