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Fig. 4 | BMC Structural Biology

Fig. 4

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

Fig. 4

Contacts between YEATS and peptides. Surface of YEATS domain colored according to the proportion of atomic contacts with the peptide, from blue (near 0% of maximum number of contacts) to red (over 80% maximum number of contacts). The gray atoms had strictly zero contacts with the peptide throughout the trajectory. The Connolly protein surface was calculated using PyMol. The protein surface is represented with 30% transparency in order to see YEATS’ secondary structures in cartoon representation. The total number of inter-atomic contacts (between a YEATS atom and a peptide atom) for each YEATS atom was calculated along the three re-TAMD trajectories: TAMDYpt13 (a-b), TAMDYpt7 (c-d), TAMDYpt3 (e-f). The N terminal tails GSH bearing the Histidine tag were not drawn

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