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. Author manuscript; available in PMC: 2011 Mar 23.
Published in final edited form as: Biochemistry. 2010 Mar 23;49(11):2307–2316. doi: 10.1021/bi902077d

Figure 2.

Figure 2

(A) PABC (Eq.3), (B) EABC (Eq. 1) and (C) energy gap (Eq. 8) distributions for 1000 simulations optimizing stability alone (red), 1000 simulations optimizing specificity alone (black) or 1000 simulations optimizing both elements simultaneously (Eq. 4) (blue). *Both specificity and stability + specificity simulations consistently resulted in final PABC values between 0.98 and 1.0.