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. Author manuscript; available in PMC: 2013 Jun 25.
Published in final edited form as: J Chem Inf Model. 2012 May 24;52(6):1559–1572. doi: 10.1021/ci300079j

Figure 8.

Figure 8

3D Probability distribution for non-self backbone N/O atoms around the Thr side-chain Oδ at χ1 = m derived from crystallographic survey. Densities were calculated by normalizing each occupancy point by the total number of atoms within 5 Å of Oδ of Thr and displayed with a cutoff density of 0.001. Shown are Thr structures in the AlphaR (A) and Beta (B) backbone conformations along with corresponding N/O densities represented as wireframes. C) Thr122 of 1BYI forms hydrogen bonds with the backbone atoms from Gly119.