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 |