Full-length spike protein

Trimeric spike protein in complex with human angiotensin converting-enzyme 2 (ACE2) receptors

Wildtype (WT)

Code: 7A98_WT

Code: 7A98_EL

Code: 7A98_ELSA

Trimeric spike protein (Gromacs 2018.2, force field: CHARMM27):

7A98_WT: Trimeric spike with 3 human ACE2 bound, WT (50 ns, 14067080 atoms)

7A98_EL: Trimeric spike with 3 human ACE2 bound, EL mutation (50 ns, 14067089 atoms)

7A98_ELSA: Trimeric spike with 3 human ACE2 bound, ELSA mutation (50 ns, 14067116 atoms)

Monomeric homology model with human ACE2 bound

Code: 7A98_H_WT

Code: 7A98_H_A

Monomeric homology model (Gromacs 2018.2, force field: CHARMM27):

7A98_H_WT: Monomeric homology model with human ACE2 bound, WT (1 ns, 5717078 atoms)

(Gromacs 2018.3, force field: CHARMM27):

7A98_H_A: Monomeric homology model with human ACE2 bound, VUI 202012/01 mutation (1 ns, 5711095 atoms)

Code: 6VYB_300

Code: 6VYB_301

Monomeric spike protein (Gromacs 2018.2, force field: CHARMM27):

6VYB_300: Monomeric open state 300K (42 ns, 407591 atoms)

6VYB_301: Monomeric open state 310K (31 ns, 407591 atoms)