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. 2021 May 4;9:650651. doi: 10.3389/fchem.2021.650651

Table 1.

Semi-empirical pathway analyses of tunneling matrix elements mediating inter-heme electron transfer. HifPM are given in eV2.

Path (%) 〈εtot σ2 HifPM εtot2 Rcohcl
eV
Fe2+/Fe3+
Trp378 92 2.04 10−5 7.44 10−11
Phe348 7 3.06 10−5 2.58 10−10
Total 100 2.12 10−5 9.62 10−11 3.75 10−6 5.43 10−10 0.82
Fe3+/Fe2+
Trp378 56 2.32 10−5 7.83 10−11
Phe348 44 3.93 10−5 2.75 10−10
Total 100 3.04 10−5 2.30 10−10 5.40 10−6 1.15 10−9 0.80