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. Author manuscript; available in PMC: 2021 Nov 12.
Published in final edited form as: J Mol Biol. 2018 Jun 2;430(17):2857–2872. doi: 10.1016/j.jmb.2018.05.042

Table 2:

Structural statistics of the 20 conformers of REV1 UBM21008−1040

Parameter REV1-UBM2 REV1-UBM2+MLAF50
No. of NOE distance restraints
Intraresidue 155 155
Sequential 114 114
Medium-range 103 103
Long-range 32 31
Total 404 403
Intermolecular distances - 18
No. of Talos dihedral angle constraints
Φ 32 32
Ψ 32 32
Target function 0.96 ± 0.10 1.42 ± 0.26
Upper Distance violation (max) (Å) 0.02 ± 0.002 0.02 ± 0.003
Angle violation (max) (°) 0.53 ± 0.13 0.35 ± 0.22
Average pairwise r.m.s. deviation (Å) a
Backbone 0.31 ± 0.08 0.50 ± 0.18
Heavy atom 0.72 ± 0.15 0.90 ± 0.20
Residues in Ramachandran plot (%) b
Most-favorable regions 97.3 95.5
Additionally allowed regions 2.8 4.5