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Ensemble refinement model

PDB 5VLI|dpdb_air6qlwk

Ensemble refinement model

Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
231,277
Residues
531
Protein chains
3
Alternate-location fraction
0%
Ligands
BMA, NAG, PEG, PGF

Evaluations

R-work
0.183
R-free
0.220
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Hemagglutinin327
  • Influenza A virus (A/Puerto Rico/8/1934(H1N1))211044
  • Construct17-343
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Hemagglutinin176
  • Influenza A virus (A/Puerto Rico/8/1934(H1N1))211044
  • ConstructUNP residues 344-519
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
Computationally designed peptide HB1.6928.2.340——

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations