Table 1 Summary of the structural statistics for the 20 lowest energy structures of HVF18 and VFR12 in LPS micelles
HVF18 | VFR12 | |
|---|---|---|
Distance restraints | ||
Intraresidue (i–j = 0) | 55 | 50 |
Sequential (│i–j│ = 1) | 42 | 43 |
Medium range(2 ≤ │i–j│ ≤ 4) | 48 | 44 |
Long range (│i–j│ ≥ 5) | 0 | 0 |
Total | 145 | 137 |
Angular restraints | 34 | 22 |
Phi | 17 | 11 |
Psi | 17 | 11 |
Distance restraint violations | ||
Number of violations | 1 | 0 |
Minimum NOE violation (Å) | 0.20 | 0 |
Maximum NOE violation (Å) | 0.26 | 0 |
Deviation from mean structure | ||
Backbone atoms (Ca, C’, and N) (Å) | 0.88 ± 0.41 | 0.84 ± 0.41 |
Heavy atoms (Å) | 1.73 ± 0.46 | 1.70 ± 0.23 |
Ramachandran plot analysis | ||
% residues in the most favourable region | 86.7 | 80 |
% residues in the additionally allowed region | 13.3 | 20 |
% residues in the generously allowed region | 0 | 0 |
% residues in the disallowed region | 0 | 0 |
