TABLE 1.

Summary of structural statistics for the 20 lowest energy ensemble structures of KYE28 and KYE28A in LPS

Distance restrains	KYE28	KYE28A
Intra-residue (i–j = 0)	74	60
Sequential (|i–j| = 1)	112	111
Medium-range (2≤ |–j|≤4)	26	18
Long-range (|i–j| ≥5)	18	0
Total	230	189
Angular restraints	40	40
Φ	27	27
Ψ	27	27
Distance restraints from violations (≥ 0.4 Å)	0	0
Deviation from mean structure (Å)
Average back bone to mean structure	0.66 ± 0.24	2.55 ± 0.68
Average heavy atom to mean structure	1.46 ± 0.33	3.44 ± 0.62
Ramachandran plot for mean structure
% Residues in the most favourable and additionally allowed regions	100	100
% Residues in the generously allowed Region	0	0
% Residues in the disallowed region	0	0