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. Author manuscript; available in PMC: 2019 Sep 23.
Published in final edited form as: J Chem Inf Model. 2018 Apr 19;58(5):1021–1036. doi: 10.1021/acs.jcim.7b00398

Figure 1.

Figure 1.

Representations of partial covalent interactions. Parts A–F each show a chemical schematic (left) along with a representative interaction from the Protein Data Bank (right). A) hydrogen bond, formed between S240 and S243 from 1daa. B) salt bridge, formed between R96 and E131 in 1wr8. C) T-stacked cation–π, formed between W361 and R370 in 2oiz. D) Offset parallel cation–π, formed between Y178 and R184 in 2bo4. E) Offset parallel π–π, formed between F285 and F348 in 1pam. F) T-stacked π–π, formed between F70 and F94 in 1vph.