TABLE 2.
Statistics for the 20 final NMR structures of the CERT PH domain
| NMR distance and dihedral restraints | |
|---|---|
| Distance restraints | |
| NOE upper distance restraints | |
| Short range (|i − j| = 1) | 1205 |
| Medium range (1 > |i − j| <5) | 178 |
| Long range (|i − j| >5) | 521 |
| Hydrogen bonds | 32 |
| Total dihedral angle restraints | |
| ϕ | 58 |
| ψ | 56 |
| Structure statistics | |
| Violations | |
| Distance restraints (>0.5 Å) | 0 |
| Dihedral angle restraints (>5°) | 0 |
| Ramachandran plota | |
| Most favored region | 89.3% |
| Additionally allowed region | 10.3% |
| Generously allowed region | 0.2% |
| Disallowed regionb | 0.1% |
| Average pairwise r.m.s.d.c | |
| Backbone atoms | 0.56 ± 0.09 Å |
| Non-hydrogen atoms | 1.20 ± 0.16 Å |
a Ramachandran analysis was performed for all residues, using the program PROCHECK NMR.
b The disallowed residue is Gly-64, which is located in the unstructured loop connecting β3 and β4.
c Pairwise r.m.s.d. was calculated for the ordered secondary structure components (amino acid residues 26–29, 43–47, 52–55, 66–70, 75–77, 85–90, 94–98, and 106–115) of the CERT PH domain.