(A) AWSEM and AlphaFold2 predicted homodimer structures of H2A/H2A align well with the native heterodimer structure of H2A/H2B (colored in blue, orange, and green). (B) RMSF analysis of all-atom simulations demonstrates comparable stabilities of AWSEM- and AlphaFold2-predicted homo-complex structures (in blue and orange). RMSF of two chains are plotted separately and helix regions are animated by cartoon in grey.</p
The hyperthermophilic archaeon Methanothermus fervidus contains two small basic proteins, HMfA (68 a...
Qdimer values are shown as functions of the annealing temperature for AWSEM-MD simulations of H2A/H2...
Folding trajectories of histones show the folding of the native and inverted non-native conformation...
(A) AWSEM-predicted trancated and full-sequence homodimer H2A/H2A are assessed by the maximum Qdimer...
The RMSF analysis of all-atom simulations exhibit similar atomic flexibilities of AWSEM- and AlphaFo...
Predicted structures of H2A/H2A by AWSEM (A) and AlphaFold2 (B) are shown, respectively. The two cha...
Previous biochemical studies demonstrate the formation of archaeal heterodimers HMfA/HMfB in vitro, ...
(A) Q values as a function of the annealing temperature are plotted for simulated histone monomers, ...
(A) Complementary to Fig 1B in the main context, here are simulation results for monomers of archaea...
Q value of the histone-fold core region was calculated for the simulated annealing runs of four syst...
(A) The native and non-native conformation of H2A/H2B found in AWSEM simulations are shown. Their ma...
(A) The scaffold of eukaryotic histone dimer H2A/H2B (blue/orange, PDB: 1AOI) consists of three α he...
The secondary structures of the histones, H1, H2A, H2B, H3, and H4 have been predicted utilizing the...
(A) Hydrophobic interactions (orange) dominate the formation of binding interface of H2A/H2B (colore...
The H2A.B histone is a highly evolving vertebrate specific variant of the H2A histone family. It has...
The hyperthermophilic archaeon Methanothermus fervidus contains two small basic proteins, HMfA (68 a...
Qdimer values are shown as functions of the annealing temperature for AWSEM-MD simulations of H2A/H2...
Folding trajectories of histones show the folding of the native and inverted non-native conformation...
(A) AWSEM-predicted trancated and full-sequence homodimer H2A/H2A are assessed by the maximum Qdimer...
The RMSF analysis of all-atom simulations exhibit similar atomic flexibilities of AWSEM- and AlphaFo...
Predicted structures of H2A/H2A by AWSEM (A) and AlphaFold2 (B) are shown, respectively. The two cha...
Previous biochemical studies demonstrate the formation of archaeal heterodimers HMfA/HMfB in vitro, ...
(A) Q values as a function of the annealing temperature are plotted for simulated histone monomers, ...
(A) Complementary to Fig 1B in the main context, here are simulation results for monomers of archaea...
Q value of the histone-fold core region was calculated for the simulated annealing runs of four syst...
(A) The native and non-native conformation of H2A/H2B found in AWSEM simulations are shown. Their ma...
(A) The scaffold of eukaryotic histone dimer H2A/H2B (blue/orange, PDB: 1AOI) consists of three α he...
The secondary structures of the histones, H1, H2A, H2B, H3, and H4 have been predicted utilizing the...
(A) Hydrophobic interactions (orange) dominate the formation of binding interface of H2A/H2B (colore...
The H2A.B histone is a highly evolving vertebrate specific variant of the H2A histone family. It has...
The hyperthermophilic archaeon Methanothermus fervidus contains two small basic proteins, HMfA (68 a...
Qdimer values are shown as functions of the annealing temperature for AWSEM-MD simulations of H2A/H2...
Folding trajectories of histones show the folding of the native and inverted non-native conformation...