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. 2019 Nov 11;17:1396–1403. doi: 10.1016/j.csbj.2019.11.001

Table 1.

Redesign of native helix-mediated protein-protein interactions. Binding energy and packing quality of designed models were calculated using Rosetta Scripts.

PDB_ID Hot-spot residues
Native/Designeda
Binding energy (REUb) Packing quality
1VTY Y437/W; W440/W; I441/V −47.2 0.604
2GL7 L366/Null; I369/I; L373/Null −15.0 0.610
2HWN I8/I; I12/L; V16/A −42.3 0.684
2P1L L112/I; L116/L; F123/L −57.7 0.634
2XA0 L59/E; L63/I; R64/R, I66/A; L70/L; M74/V −61.2 0.608
2XZE L210/L; M213/L; L217/W −48.7 0.638
3H8K L82/F; L89/V −49.6 0.736
3KJ2 I6/L; I13/I; E17/Q −56.0 0.632
a

The corresponding designed residue type to each native hot-spot residue is given after the slash.

b

REU: Rosetta Energy Unit.