Database-Linked Evidence Summary

HANSEN Statistics

Ranked Mycobacterium leprae target candidates for structure-guided drug discovery, integrating ProteomeLM contextual signal, predicted pockets, AF2Bind, Boltz2 model confidence, functional annotation, pathway evidence and tractability.

Counting Rules. Model counts use HANSEN database records. DiscoTope3/B-cell epitope propensity is scoped to AF3 and Boltz2.
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Overview

Core Database Summary

High-level counts separated from method-specific database model records. Click “View Details” below each number to inspect, filter and download the underlying table.

Unique ML IDs

Protein_Table.xlsx
Database Model Records

registered models only
Monomer Records

single-chain models
Oligomer Records

multi-chain models
Liganded Records

ligand metadata detected
Mean pLDDT

CIF B-factor derived
AF3

Boltz2

Boltz

Chai

PAE Assignments

Confidence Assignments

Coverage and Composition

Evidence Availability and Model Classes

Coverage is separated from biological or structural interpretation to avoid over-reading missing evidence layers.

Evidence Completeness

Model-level and protein-level evidence coverage. Protein-level denominators use Protein_Table.xlsx.

coverage

Model Yield by Method

Database-linked model records only.

models

Oligomer n-mer Classes

Chain-count classes among database model records.

assembly

Liganded Fraction by Method

Percentage of model records with ligand metadata.

ligands

Pocket Scores by Priority

High-priority target group compared with other proteins.

pockets

B-cell Epitope Propensity

Residue-level DiscoTope3 statistics for AF3 and Boltz2 only.

AF3/Boltz2
Boltz and Chai are not shown as zero values because DiscoTope3 was not run for those methods.
Model Quality

pLDDT and PAE Distributions

Distribution plots show model-level spread rather than only headline averages.

pLDDT Distribution

Violin/box distribution derived from CIF B-factors.

confidence

PAE Distribution

Model-level mean PAE from linked JSON evidence.

error

pLDDT Model-Level Strip Plot

Individual model records by method.

points

PAE Model-Level Strip Plot

Individual model records by method.

points
Advanced Comparisons

Effect Sizes, Associations and Correlations

These tables provide statistical context for comparing model methods and downstream evidence layers.

Pairwise Method Effect Sizes

Cliff’s delta compares method distributions. Positive values mean the first method tends to have higher values.

MetricComparisonDeltaEffectnMedians

Associations and Correlations

Cramér’s V summarises categorical associations; Spearman rho summarises protein-level rank relationships.

ComparisonStatisticValuen / Shape
Per-Protein Table

Integrated Evidence by ML ID

Searchable protein-level summary combining model availability, quality, pockets, epitope propensity, target priority and essentiality.

ML IDGeneProteinModelsMethodsAssembliesn-merLigandedpLDDTPAEAF2BindP2RankF-PocketDiscoTope3TargetEssentiality
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Diagnostics and Provenance

Use this section to verify cache age, counting rules, detected files and evidence mappings.

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