Table 5.

Binding energy of beta-D-mannose with PAI1.

Bond	Energy		Residues involved
Hydrogen	−1.34 (kcal/mol)	3.05 Å (length)	Glu 1387
Hydrogen	−0.23 (kcal/mol)	3.51 Å (length)	Glu 1387
Hydrogen	−2.45 (kcal/mol)	3.11 Å (length)	Val 1136
Hydrogen	−1.78 (kcal/mol)	3.24 Å (length)	Thr 945
Hydrogen	−2.50 (kcal/mol)	2.86 Å (length)	Tyr 951
Hydrogen (nondirectional)	−15.91 (kcal/mol)		—
Steric	−35.10 (kcal/mol) (by PLP) −445.37 (kcal/mol) (by LJ16-6)		Asp 948, Gly 949, His 950, Thr 946, Ala 1130, Arg 1134, Asn 1135, Asp 1389, Gln 1126, Lys 1392, Pro 1393, Thr 1386, Val 1127, Val 1388