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. Author manuscript; available in PMC: 2021 Feb 18.
Published in final edited form as: J Phys Chem B. 2017 Jun 7;121(24):5917–5927. doi: 10.1021/acs.jpcb.7b03035

Table 2.

Initial Configurations of the Farnesylated HVR/PDEδ Systems

HVR
 PDEδ
simulation system Ras prenylation   PDB Phe133 side chain state prenyl insertion
 system A1  K-Ras4A  farnesyl  5E8F  down  1  deep
 system A2  K-Ras4A  farnesyl  5F2U  up  2  shallow
 system B1  K-Ras4B  farnesyl  5E8F  down  1  deep
 system B2  K-Ras4B  farnesyl  5F2U  up  2  shallow
 system N1  N-Ras  farnesyl  5E8F  down  1  deep
 system N2  N-Ras  farnesyl  5F2U  up  2  shallow