Relationships between electrostatic/hydrophobic interactions and conformational distribution of diUb chains.

aOpen state is defined as the conformations with . bClosed state is defined as the conformations with . cThe remaining conformational space with the exception of open and closed states is defined as compact state. The compact state can be further divided into I36-I36, I36–I44 and other compact state according to the role of I36 and I44 hydrophobic patches in the formation of interface between Ub units. dThe I36-I36 state is considered to be formed as and as well as . eThe I36–I44 state is considered to be formed as or , and as well as . fStandard deviations (SDs) are given in parentheses. SDs were measured from eight long independent simulations with the same parameter sets.