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. Author manuscript; available in PMC: 2017 May 3.
Published in final edited form as: Structure. 2016 Apr 7;24(5):826–837. doi: 10.1016/j.str.2016.03.008
Widths Depths and Heights
∞ > Dlig-prot ≥ 4.5: energy = 0
4.5 > Dlig-prot ≥ 3.5: energy = −0.35 (attractive)
3.5 > Dlig-prot ≥ 3.0: energy = +10 (repulsive)
3.0 > Dlig-prot ≥ 0.0: energy = +10,000 (strongly repulsive: effectively prohibited)