Table 6.

Binding energy of N-acetyl-D-glucosamine with PAI1.

Bond	Energy		Residues involved
Hydrogen	−2.50 (kcal/mol)	2.85 Å (length)	Val 1127
Hydrogen	−0.21 (kcal/mol)	3.55 Å (length)	Ser 1131
Hydrogen	−2.50 (kcal/mol)	3.02 Å (length)	Ser 1131
Hydrogen	−0.90 (kcal/mol)	3.42 Å (length)	Tyr 951
Hydrogen	−2.50 (kcal/mol)	2.84 Å (length)	Pro 947
Hydrogen (nondirectional)	−14.54 (kcal/mol)		—
Steric	−44.44 (kcal/mol) (by PLP) 13.40 (kcal/mol) (by LJ16-6)		Asp 948, Gly 949, His 950, Thr 945, Thr 946, Ala 1130, Asn 1135, Asp 1389, Gln 1126, Glu 1387, Lys 1392, Pro 1393, Thr 1386, Val 1136, Val 1388