Table 2 Structural statistics for the 20 final structures of s p9^22-51 in 50% TFE

Total

Intraresidual (|i-j| = 0)

Sequential (|i-j| = 1)

Medium range (|i-j| ≤ 4)

Average number of NOE violations ≥ 0.2°A

Mean energies (kj/mol)

E _total

E _NOE

E _{van der Walls}

E_bond + E_angle + E_impropers

Ramachandran plot^a

% residues with φ, ψ in most favourable regions

% residues with φ, ψ in additionally allowed regions

% residues with φ, ψ in generally allowed regions

% residues with φ, ψ in disallowed regions