Summary of hydrogen bonding and LIE analysis for CATCH single bilayer structures.
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https://figshare.com/articles/dataset/Summary_of_hydrogen_bonding_and_LIE_analysis_for_CATCH_single_bilayer_structures_/24726039
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Hydrogen bonds and salt bridges were calculated using geometric criteria: an angle cutoff of 135° and a distance cutoff of 3.0Å. Salt bridges were defined to be between the hydrogens on lysine’s ammonium group and the oxygens on glutamic acid or on aspartic acid’s α-carboxylic acid group. Salt bridge VDW and ELE interactions were calculated between the atoms on the lysine’s ammonium group and the atoms on glutamic acid and aspartic acid’s carboxylic acid group. VDW interactions between charged residues are calculated using the LIE approach and exclude backbone atoms. Values listed are averaged over three independent simulations.
创建时间：
2023-12-04
