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. Author manuscript; available in PMC: 2015 Jan 15.
Published in final edited form as: J Mol Model. 2014 Jun 6;20(6):2308. doi: 10.1007/s00894-014-2308-3

Table 3.

Comparison of experimentally observed (Obs.) and theoretical (Sim.) radius of gyration (Rg), Dm, and fractional secondary structure content of fragments of TraI (RC = random coil). I(0) values are on absolute scale. Theoretical values are shown for the best-fit structures of model III. Errors are reported as ± 1 standard deviation.

Residue Range I(0) Obs. Dm (Å) Obs. Rg (Å) Obs. Rg (Å) Sim. α-helix Obs. α-helix Sim. β-sheet Obs. β-sheet Sim. RC Obs. RC Sim.
1–569 0.11 136 37.1 ± 0.3 34.2 0.45 ± 0.02 0.34 0.14 ± 0.02 0.10 0.41 ± 0.02 0.56
381–858 0.088 111 36.9 ± 0.6 35.8 0.26 ± 0.04 0.22 0.16 ± 0.04 0.15 0.58 ± 0.04 0.63
309–1756 0.24 171 56.3 ± 0.2 55.4 0.29 ± 0.04 0.30 0.15 ± 0.09 0.11 0.56 ± 0.03 0.59
1–1756 0.34 173 54.8 ± 0.4 54.0 0.31 ± 0.08 0.39 0.12 ± 0.07 0.10 0.57 ± 0.05 0.51