Probability of occurrence of polar contacts, <i>p</i>, at interface 1 and interface 2, with various numbers of native contacts observed in MSES simulation^a.

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.