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. 2022 Dec 14;8(12):e12280. doi: 10.1016/j.heliyon.2022.e12280

Table 1.

Interface metrics as determined by the Rosetta InterfaceAnalyzer. ΔΔG is measured in Rosetta Energy Units (REU).

Parameter Design model Experimental model
ΔΔG (REU) 2-fold −30.445 −36.724
3-fold −64.241 −76.519
No. of interface residues 2-fold 52 56
3-fold 113 112
ΔSASA_total (Å2) 2-fold 1337.885 1312.648
3-fold 2420.977 2484.479
ΔSASA_hydrophobic (Å2) 2-fold 1067.291 1097.332
3-fold 1756.790 1730.666
Shape complementarity 2-fold 0.508 0.531
3-fold 0.733 0.698