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. Author manuscript; available in PMC: 2019 Jul 26.
Published in final edited form as: Synlett. 2018 May 7;29(9):1136–1151. doi: 10.1055/s-0036-1591975

Figure 2.

Figure 2

The archetypical difficult PPI PD1-PDL1 (PDB ID 4ZQK). Cartoon presentation with grey PDL1 on top and green PD1 below. Noteworthy the all β-sheet fold of both interacting proteins leading to a large and flat buried surface area. B: Surface presentation. C: The separated proteins by a 90° clockwise and anticlockwise rotation through the orthogonal axis, and showing the footprints (cyan and blue surfaces) of the interacting proteins. D: The heavy atoms of PDL1 making direct contact to PD1 are shown as balls. Their color coding is according to their contribution (scorpion score) to the energy with interaction ranging from grey (minor contribution) to red (major contribution).