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. Author manuscript; available in PMC: 2020 May 14.
Published in final edited form as: J Chem Theory Comput. 2019 Apr 4;15(5):3410–3424. doi: 10.1021/acs.jctc.9b00101

Figure 1.

Figure 1.

(A) Diagram of the “cone” neighbor count method using the full-atom definition. The neighbor count of residue i is defined as the product of the distance contribution (D(rij)) and the angle contribution (A(θij)) summed over all residues j ≠ i. The distance rij is defined as the length of the vector between the Cα of residue j and the Cβ of residue j and the angle θij is defined as the angle between the vector between the Cα of residue i and the Cβ of residue j and the vector between the Cα and Cβ of residue i. (B) Functional form of the distance contribution, D(rij). (C) Functional form of the angle contribution, A(θij).