Table 3

Homodimer interface interaction energies.

Interaction energies

Coulombic

VDW

Total


kcal/mol

kcal/mol

kcal/mol


Protomer A, B

T4.38

-0.01

-0.03

-0.04

P4.39

0.08

-0.02

0.06

R4.40

0.30

-0.31

-0.01

N4.41

-0.32

-1.06

-1.38

I4.44

-0.02

-3.56

-3.58

I4.45

0.09

-1.22

-1.13

V4.47

-0.06

-0.24

-0.31

C4.48

0.11

-1.49

-1.38

W4.50

0.03

-0.02

0.01

I4.51

0.18

-2.77

-2.58

L4.52

0.03

-0.11

-0.08

S4.54

0.03

-0.06

-0.03

A4.55

0.21

-2.11

-1.90

I4.56

0.11

-2.42

-2.32

G4.57

-0.03

0.00

-0.04

P4.59

0.01

-0.07

-0.06

Subtotal

0.74

-15.50

-14.76


Cholesterol A, Protomer B

0.07

-2.52

-2.44

Cholesterol B, Protomer A

0.10

-2.49

-2.39

Subtotal

0.17

-5.01

-4.83


Total

0.91

-20.51

-19.59


Residues in bold are residue positions shown to be involved in the TMH4 homodimer inactive state interface of the dopamine D2 receptor [36].

Zheng et al. BMC Cell Biology 2012 13:6   doi:10.1186/1471-2121-13-6

Open Data