TABLE 2.

Structural statistics of the NMR structures of G1S and G1V

ParameterG1SG1V
Target function (Å)0.21 ± 0.030.13 ± 0.05
Experimental NMR constraints
    NOE distance constraints145136
        Intraresidue5042
        Sequential4857
        Medium range4737
        Long range00
    Angle constraints (derived from HABAS)5356
        φ1919
        ψ1616
        χ11111
        χ2910
NMR constraint violations
    NOE constraint violations
        Sum (Å)2.57 ± 0.181.76 ± 0.20
        Maximum (Å)0.09 ± 0.010.10 ± 0.01
    Angle constraint violations
        Sum (°)3.52 ± 0.761.28 ± 1.42
        Maximum (°)2.12 ± 0.360.79 ± 0.67
AMBER energy (kcal/mol)−171.3 ± 7.6−241.6 ± 21.4
Root mean squared deviation from the mean structure (Å)
    Backbone atoms of all residues 1-201.21 ± 0.491.76 ± 0.41
    All heavy atoms of all residues 1-201.60 ± 0.462.42 ± 0.44
    Backbone atoms of residues 2-180.63 ± 0.281.06 ± 0.36
    All heavy atoms of residues 2-181.14 ± 0.321.87 ± 0.49
Ramachandran statistics analyzed using PROCHECK-NMR
    Residues in allowed regions (%)100.0100.0
    Residues in disallowed regions (%)0.00.0