The average number of constraints per residue for the ensemble
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The average distance restraint violation for the ensemble.
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The average torsion angle constraint violation for the ensemble.
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By highlighting the appropriate choice(s), describe how the submitted conformer (models) were selected.
Examples: structures with the lowest energy, structures with the least restraint violations, structures with acceptable covalent geometry, structures with favorable non-bond energy, target function, back calculated data agree with experimental NOESY spectrum, all calculated structures submitted, The submitted conformer models are the 25 structures with the lowest energy., The submitted conformer models are those with the fewest number of constraint violations.
The total number of conformer (models) that were calculated in the final round.
The number of conformer (models) that are submitted for the ensemble.
Describe the method used to calculate the distance constraint violation statistics, i.e. are they calculated over all the distance constraints or calculated for violations only?
Examples: Statistics were calculated over all of the distance constraints., Statistics were calculated for violations only
The maximum distance constraint violation for the ensemble.
Examples: null
The maximum lower distance constraint violation for the ensemble.
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The maximum torsion angle constraint violation for the ensemble.
The maximum upper distance constraint violation for the ensemble.
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The number of the conformer identified as most representative.
This item describes the method used to calculate the torsion angle constraint violation statistics. i.e. are the entered values based on all torsion angle or calculated for violations only?
Examples: Statistics were calculated over all the torsion angle constraints., Statistics were calculated for torsion angle constraints violations only.
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The average number of constraint violations on a per residue basis for the ensemble.
Examples: null