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Nullspace Sampling with Holonomic Constraints Reveals Molecular Mechanisms of Protein Gαs

Fig 7

The normalized magnitude of the mean Cα displacement vectors of the KGS and iMC ensembles.

The top panel shows the normalized displacements for the active state KGS and iMC ensembles. The bottom panel for the inactive state. The AH-domain is indicated by orange (active) or grey (inactive) shading. The α5 helix is shaded in the same color on the far right. The location of the N-terminal part of α4 helix in the Ras-domain is indicated by a pronounced “bump” in between residues 320 and 340 for the KGS ensemble (red).

Fig 7

doi: https://doi.org/10.1371/journal.pcbi.1004361.g007