home > depositions > AutoDepAutoDep Deposition Toolcontact AutoDep    

PQS Summary

Assemblies are generated using the Protein Quaternary Structure server (PQS). PQS uses crystal symmetry matrices to generate symmetry-related copies of the chains in a PDB entry and, by considering the buried surface area between pairs of chains, determines the likelihood of that contact being of some biological significance. The full algorithm is described here.

Biomolecule 1: Dimeric

Accessible surface areas

Isolated chain A (0 copies): 11362.2 Ų
Total area of all isolated chains: 18797.5 Ų
Total buried surface area of assembly: 1963.4 Ų

Solvation free energies

Isolated chain A: -129.7 kcal/mol
Total energy for complete complex: -301.3 kcal/mol
Energy gain upon complex formation: -41.8 kcal/mol

Salt bridges

Number formed in assembly: 0

Download data

Assembly structure: 1abc.mmol
Data summary: 1abc.asa