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. 2011 Oct 12;19(10):1395–1412. doi: 10.1016/j.str.2011.08.006

Figure 1.

Figure 1

Correction of a Local Error for Thr 32 in PDB 1sbp, a Quite Good Older Structure at 1.7Å Resolution

(A) This side-chain in 1sbp (He and Quiocho, 1993) has many serious all-atom steric clashes (clusters of red spikes) and no hydrogen bonds, and the tetrahedral angles at N-Cα-Cβ and at Cγ2-Cβ-Oγ1 (labeled) are bad outliers.

(B) The side-chain has been turned 180° and now has ideal geometry, no clashes, two good hydrogen bonds, and a slightly better fit to the density.