Skip to main content
. Author manuscript; available in PMC: 2021 May 13.
Published in final edited form as: J Am Chem Soc. 2020 May 4;142(19):8706–8727. doi: 10.1021/jacs.0c00768

Table 1.

Structural Refinement Statistics of Unbound and Bound WT Tau Duplexes

unbound RNA 4-bound RNA 5-bound RNA 9-bound RNA
no. of restraints
all distance restraints, including hydrogen bonds 191 182 258 173
all NOE restraints 150 141 221 146
intraresidue 69 68 121 75
sequential residues 79 62 79 57
long range RNA (excluding 4–, 5–, or 9–RNA) 2 2 2 2
intramolecular 4, 5, or 9 N/A 2 6 1
intermolecular 4–, 5–, or 9–RNA N/A 7 13 11
hydrogen bonds 41 41 37 27
dihedral 0 0 0 105
RMSD of experimental restraints
distance (Å) 3.8 × 10−3 2.8 × 10−3 4.2 × 10−3 2.1 × 10−3
dihedral (deg) N/A N/A N/A 2.1 × 10−3
RMSD of structures for heavy atoms (Å)
all residues, excluding 4, 5, or 9 1.79 ± 0.31 1.92 ± 0.49 1.11 ± 0.25 1.37 ± 0.36
all residues and 4, 5, or 9 N/A 1.91 ± 0.47 1.12 ± 0.25 1.41 ± 0.34
outer helices (residues 1–3, 9–14, and 19–21) 2.01 ± 0.40 1.92 ± 0.61 1.02 ± 0.31 1.40 ± 0.47
4, 5, or 9 N/A 1.06 ± 0.38 0.50 ± 0.33 1.08 ± 0.60
Bulge loop and inner base pairs, including 4, 5, or 9 for bound structure (residues 48 and 1518) 0.84 ± 0.19 1.53 ± 0.37 0.85 ± 0.17 1.14 ± 0.34
Bulge loop and closing pairs, including 4, 5, or 9 for bound structure (residues 57 and 1617) 0.63 ± 0.19 1.43 ± 0.39 0.97 ± 0.22 1.23 ± 0.40