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Table 4 Protein residues displaying at least one atomic contact with the peptide in the PDB structure 2NDF or one atomic larger than 50% during the TAMD trajectories

From: re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling

Structure YEATS residues
2NDF F31 H33 H59 S61 F62 S79 G80 Y81 A82 G83 F84 I85 P87 D106 F108 L109 H110 L111
Trajectory name YEATS residues
TAMDYpt13 S7 C8 V10 H59 A82 G83 F84 I85 P98 R102 D104 D106 F108 L109 L111 H119 L120 R121 C122
TAMDYpt7 P72 P73 P87 P98 N118 H119 L120 R121 T131 D133
TAMDYpt3 M4 A5 S7 H59 A82 G83 F84 T126
  1. The N terminal tails GSH bearing the Histidine tag were not considered