. 2013 Aug 19;3:2461. doi: 10.1038/srep02461

Table 2. Calculated binding sites and interaction energies between water and the R-type valinomycin monomers (M_R) on the Cu(111) surface. A more negative energy indicates that the calculated system is more stable.

M_R	Mode a	Mode b	Mode c	Mode d	Mode e	Mode f
Binding sites	N(1)H	O = C − O(2); C = O(18)	C = O(3)	O = C − O(5)	C = O(1); C = O(4)	C = O(1)
Interaction energy (kcal/mol)	−5.59	−11.95	−8.20	−7.21	−13.80	−6.54

Note: The code number of the nitrogen or oxygen atoms is consistent with the structural formula of valinomycin in Figure 1a.

Table 2. Calculated binding sites and interaction energies between water and the R-type valinomycin monomers (MR) on the Cu(111) surface. A more negative energy indicates that the calculated system is more stable.