Table 1. Hydrogen Bond Analysis of Selected PduA Mutants (Listed as a Percentage of Time during the Simulation).

residue	residue 1	residue 2	average
native	ARG79-Side; VAL25-Main; 67.16%	ARG79-Side; VAL25-Main; 63.93%	65.50%
R79K	LYS79-Side; VAL25-Main; 41.54%	LYS79-Side; VAL25-Main; 31.34%	36.40%
R79C	0	0	0.00%
R79N	ASN79-Side; ALA28-Main; 8.21%	ASN79-Side; LYS26-Main; 3.98%	6.10%
R79S	SER79-Side; LYS26-Main; 47.51%	SER79-Side; LYS26-Main; 27.36%	37.45%
R79T	THR79-Side; ASN29-Side; 4.23%	THR79-Side; LYS26-Main; 4.73%	4.48%
R79W	TRP79-Side; ASN29-Side; 2.24%	0	1.12%
R79Y	TYR79-Side; VAL25-Main; 1.74%	ASN29-Side; TYR79-Side; 6.97%	4.36%