Probability of occurrence of polar contacts, p, at interface 1 and interface 2, with various numbers of native contacts observed in MSES simulationa.

aPolar contacts formed between two atoms in either interface 1 or interface 2 are listed with probability of occurrence.bnPC is number of native polar contacts in Fig. 4E, for interface 1 (0≤nPC≤5) and interface 2 (0≤nPC≤3). In nPC = 5 in interface 1 and nPC = 3 in interface 2, the probability is unity by definition.cProbability p has relation , where is probability for i-th identifier and nPC.dIdentifier is same as in Table 1.eBold numbers indicate probable polar contact with probability >0.8.Probability of occurrence of polar contacts, p, at interface 1 and interface 2, with various numbers of native contacts observed in MSES simulationa.