File Name : fig. s1.tif

Caption : fig. s1. (a) the structures of amicyanin before (crystal structure; green) and after the optimization without solvent effect (isolated structure; blue). (b) the structures of amicyanin optimized with (solution structure; magenta) and without solvent effect (isolated structure; blue). a software, pymol (https://www.pymol.org/), was used.

File Name : fig. s2.tif

Caption : fig. s2. (a) the structures of azurin before (crystal structure; green) and after the optimization without solvent effect (blue). (b) the structures of azurin optimized with (magenta) and without solvent effect (blue). the pymol was used.

File Name : fig. s3.tif

Caption : fig. s3. theoretical cu l3-edge xanes spectra of amicyanin (a) and azurin (b) in crystal (red), isolated (green), and solution (black) structures.

File Name : fig. s4.tif

Caption : fig. s4. comparison of experimental xanes spectra of amicyanin and azurin.