ProStructLab

Protein Structural Connectivity and Fragility Explorer

Universidad Industrial de Santander · UIS

3D Protein Explorer

Load a PDB file.

Select a Residue

Single click = select one residue. Ctrl/Cmd + click = add or remove residues from the multi-residue set. You can also use Chain + Residue Number below.

Multi-residue selection: 0 residues in set
Selected Residue
Chain
Degree
Fragility Score

Protein Summary

File
Atoms0
Residues0
Chains0

Secondary Structure

Helix Segments0
Sheet Segments0
Helical Residues0
Beta Residues0
TypeChainStartEndLength

Contact Network

Neighbor residues: 0

ResidueChainNo.Minimum DistanceClass

Structural Connectivity Map

Layer 1 = direct contacts; Layer 2 = contacts of Layer 1; Layer 3 = third-order connectivity.

Layer 10
Layer 20
Layer 30
Total Reach0

Structural Bridge Detector

RankResidueChainDegreeComponents After RemovalBridge Score

Virtual Residue Knockout

Contacts Before
Contacts After
Components Before
Components After
Largest Component Before
Largest Component After
Connectivity Loss
Knockout Impact

Fragility Hotspots

Fragility Score = 0.45 degree + 0.35 two-layer connectivity reach + 0.20 exposure proxy

RankResidueChainDegreeConnectivity ReachExposure ProxyScore

Residue Set Analysis

Analyze several residues as a structural subnetwork. Add residues from the 3D viewer or from the residue selector.

Selected set:
No residues added
Selected Residues0
Internal Contacts0
Shared Neighbors0
Unique Neighbors0
Layer 1 Reach0
Layer 2 Reach0
Layer 3 Reach0
Network Coverage0%
Connectivity Overlap0%
Bridge Residues0
Set Components0
Collective Connectivity0.000
ResidueChainRoleConnections to SetLayer

Residue Interaction Pathways

Uses the residue contact graph (5 Å) to find shortest structural routes between two selected residues. This is a topology analysis, not a dynamic allosteric pathway prediction.

Shortest Distance
Equivalent Shortest Paths
Intermediate Residues
Path Redundancy
Select two residues and run the analysis.

Structural Communication Hub Finder

Combines degree, betweenness centrality, closeness centrality and bridge score into an exploratory Communication Score.

RankResidueChainDegreeBetweennessClosenessBridgeCommunication Score

Structural Neighborhood Signature

Generates a compact structural-network fingerprint for the currently selected residue.

Residue
Degree
Layer-2 Reach
Secondary Structure
Hydrophobic Contacts
Polar Contacts
Charged Contacts
Aromatic Contacts
Bridge Score
Fragility Score
Communication Score
Contact Diversity

Experimental Virtual Ala-Scan

Exploratory approximation: side-chain-mediated contacts of the selected residue are pruned while backbone-mediated contacts are retained. It is not a ΔΔG calculation and does not model side-chain relaxation.

Native Contacts
Retained Contacts
Contacts Lost
Contact Loss
Native 2-Layer Reach
Proxy 2-Layer Reach
Reach Change
Topological Impact

Structural Analysis Dashboard

Most Connected Residue
Top Structural Bridge
Top Fragility Hotspot
Top Communication Hub
Network Density
Largest Connected Component
Selected-Set Coverage
Protein Residues

Protein Structural Analysis Report

Load and analyze a protein to generate the report.