Variation of the binding groove width in MD simulations.

<p><b>(A)</b> Region I (black, A pocket region, residues 50–59 and 165–176), Region II (gray, C pocket region, residues 60–72 and 152–164), and Region III (red, F pocket region, residues 73–84 and 139–150). <b>(B) and (C)</b> Width variance of each region measured as the distance of the centers of masses of the α carbons of respective opposing helical segments for complex derived from the SIINFEKL <b>(B)</b> and FAPGNYPAL <b>(C)</b> crystal structures. Error bars represent standard deviation.