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. 2017 Mar 22;73(Pt 4):215–221. doi: 10.1107/S2053230X17003983

Table 2. Intrahelical angles and distances for Ca2+-S100A1 and other Ca2+-S100 structures.

Intrahelical angles and distances were calculated using UCSF Chimera and previously established methods (Drohat et al., 1998).

  Intrahelical angles (°) Intrahelical distances (Å)
  R.m.s.d. (Å) I to II I to III I to IV II to III II to IV III to IV I to II I to III I to IV II to III II to IV III to IV
S100A1 (X-ray) 0.5 140.0 −116.5 127.4 103.4 −28.8 110.2 8.1 16.8 11.3 9.9 13.9 9.1
S100A1 (NMR) 2.6 133.3 −106.5 129.4 117.5 −33.0 119.7 9.8 19.5 13.4 10.2 12.4 8.5
S100A1–RyRP (NMR)§ 2.5 137.8 −94.4 123.5 121.5 −40.6 137.2 9.7 19.3 12.4 10.4 12.6 9.9
S100A4 (X-ray) 1.5 140.2 −112.6 131.3 106.2 −34.9 108.5 8.1 17.2 11.1 10.0 13.6 8.8
S100B (X-ray)†† 1.0 138.7 −126.6 126.7 93.8 −36.6 100.1 8.7 17.3 11.0 9.5 13.9 9.0
S100B (NMR)‡‡ 2.9 131.9 −124.0 124.3 103.4 −38.7 103.1 10.4 20.1 12.1 10.2 13.2 9.9
S100Z (X-ray)§§ 0.7 136.2 −107.6 131.8 116.2 −25.6 112.7 7.6 17.0 11.2 9.7 12.7 8.9

The r.m.s.d. for the S100A1 crystal structure corresponds to the average alignment of each monomer in the asymmetric unit.

Calculated using PDB entry 1zfs (Wright et al., 2005).

§

Calculated using PDB entry 2k2f (Wright, Prosser et al., 2008).

Calculated using PDB entry 2q91 (Malashkevich et al., 2008).

††

Calculated using PDB entry 1mho (Matsumura et al., 1998).

‡‡

Calculated using PDB entry 2k7o (Wright, Inman et al., 2008).

§§

Calculated using PDB entry 2y5i (Moroz et al., 2011).