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.