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. 2016 Jul 29;6:30369. doi: 10.1038/srep30369

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Copyright © 2016, The Author(s)

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Red colored H-bonds are found with Method 1 HA cutoff of 2.4 Å for all-atoms) and Method 3. Blue colored H-bonds are only found with Method 1. (a) The H-bond network of chain A with Cys45 modeled as a thiolate. (b) The H-bond network of chain B with Cys45 modeled as a thiolate. (c) The H-bond network when Cys45 modeled as a thiol for both chain A and B.

Inline graphic — Red colored H-bonds are found with Method 1 HA cutoff of 2.4 Å for all-atoms) and Method 3. Blue colored H-bonds are only found with Method 1. (a) The H-bond network of chain A with Cys45 modeled as a thiolate. (b) The H-bond network of chain B with Cys45 modeled as a thiolate. (c) The H-bond network when Cys45 modeled as a thiol for both chain A and B.