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. Author manuscript; available in PMC: 2017 Dec 27.
Published in final edited form as: Biochemistry. 2016 Nov 7;55(46):6456–6466. doi: 10.1021/acs.biochem.6b00948

Table 2.

Residues Contributing Most to the Mutual Information between the Ligand Binding Pocket and the Intracellular Region of the MORa

TRV-130-bound MOR
morphine-bound MOR
residue/ligand contribution residue/ligand contribution
TRV-130 0.56 D1643.49 0.75
Y1062.42 0.44 F1082.44 0.65
W133(EC1) 0.42 Y1062.42 0.56
Y1493.34 0.4 I1072.43 0.55
Y3267.43 0.37 F343(H8) 0.54
F343(H8) 0.36 N1884.46 0.54
F347(H8) 0.35 F135(EC1) 0.53
R1653.50 0.35 R2776.32 0.52
W2936.48 0.34 F1563.41 0.50
W3187.35 0.34 W133(EC1) 0.50
Y911.55 0.34 N861.50 0.49
Y3367.53 0.33 I1443.29 0.48
F178(IC2) 0.33 Y961.60 0.48
E2295.35 0.33 N1092.45 0.48
F135(EC1) 0.33 C1403.25 0.47
D1643.49 0.32 N3327.49 0.46
I1443.29 0.31 P134(EC1) 0.46
T1603.45 0.29 morphine 0.45
Y2525.58 0.29 Y2996.54 0.45
W2936.48 0.45
Y3267.43 0.45
Y3367.53 0.44
a

Residues completely exposed to the lipid bilayer are not included in the table. Common residues in the two systems are highlighted in bold.