Table 1.
Complex_12b | Complex_38a | Complex_58a | Complex_79a | Complex_114d | Complex_68c | |
---|---|---|---|---|---|---|
Interface area, Ų | 986.5 | 1389 | 1243 | 1303 | 1310 | 1582 |
Solvation energy, kcal/mol | −7.633 | −15.05 | −18.92 | −16.09 | −16.55 | −16.94 |
Total binding energy, kcal/mol | −12.6 | −20.17 | −21.88 | −22.84 | −21.88 | −23.39 |
Hydrophobic P-value | 0.6641 | 0.6599 | 0.4065 | 0.472 | 0.5421 | 0.6159 |
Number of hydrogen bonds | 7 | 4 | 5 | 11 | 12 | 12 |
Number of salt bridges | 5 | 9 | 2 | 5 | 0 | 3 |
Number of disulfide bonds | 0 | 0 | 0 | 0 | 0 | 0 |
All complexes exhibit a low total binding energy, thus demonstrating an energetically favorable binding between SNAP29 and α-Syn.