1NES

structure of the product complex of acetyl-ala-pro-ala with porcine pancreatic elastase at 1.65 angstroms resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: E-J
  • Int. Res.: 35
  • Norm. En. per Res.: -2.7965
• Hub Node: E(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
E-I	-19.1718	0.0	-61.5033	-80.6751	33	3	5	2364	0	0	0
E-J	-33.7514	0.0	-64.1244	-97.8758	35	3	0	2142	0	0	0
I-J	0.0	0.0	-2.2051	-2.2051	4	0	1	108	0	0	0

Interface residues

• E-I: ALA55E, ALA601I, ALA603I, ALA99E, ARG217E, ASN148E, ASP102E, ASP194E, ASP98E, CYS191E, CYS220E, CYS58E, GLN192E, GLY193E, GLY219E, HIS57E, LEU143E, LEU218E, LYS224E, PHE215E, PRO602I, SER195E, SER214E, SER217E, THR147E, THR175E, THR213E, THR226E, TRP172E, TRP94E, VAL216E, VAL227E, VAL99E
• E-J: ALA152E, ALA39E, ALA55E, ALA606J, ALA608J, ARG61E, ASP194E, ASP60E, CYS191E, CYS42E, CYS58E, GLN150E, GLN192E, GLY142E, GLY149E, GLY193E, GLY196E, GLY43E, HIS40E, HIS57E, LEU143E, LEU151E, LEU33E, LEU63E, PHE215E, PHE65E, PRO607J, SER195E, SER214E, SER36E, THR213E, THR41E, TRP141E, TYR35E, VAL59E
• I-J: ALA601I, ALA608J, PRO602I, PRO607J