Figure 3.

Residues important for discriminating Nb80-dependent activation mechanisms, derived from training a multilayer perceptron (MLP) classifier on equilibrated active-like ensembles. (A) Comparison between Nb80-bound and Nb80-unbound ensembles. The most important hotspot is located at the end of TM6. (B) Residues important to distinguish the Nb80-bound ensembles. (C) Residues important to distinguish the Nb80-unbound ensembles. (D) Residues important to differentiate Nb80-bound from Nb80-unbound ensembles. (E) Distribution of N51^1.50- S319^7.46 and L275^6.37-Y326^7.53 distances. (F) Distribution of S203^5.43-E338^8.56 and L284^6.46-F321^7.48 distances.