3FIV

crystal structure of feline immunodeficiency virus protease complexed with a substrate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -6.244
• Hub Node: A(3)

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
A-B	-169.5957	-47.2041	-513.752	-730.5518	117	29	13	20788	4	16	17
A-I	-14.5158	0.0	-51.9654	-66.4812	33	1	9	2619	0	3	0
A-J	-22.2898	10.7806	-68.507	-80.0162	34	4	6	2700	0	3	2
B-I	-30.4799	10.7618	-81.3722	-101.0902	35	6	6	2983	0	3	2
B-J	-14.7701	0.0	-60.8763	-75.6464	34	1	9	2924	0	2	0
I-J	-503.3308	0.0	1982.51	1479.1792	8	342	6	1959	0	0	1

Interface residues

• A-B: ALA33A, ALA33B, ARG104A, ARG104B, ARG113A, ARG113B, ARG13A, ARG13B, ARG64A, ASN106A, ASN106B, ASN111A, ASN111B, ASN30A, ASN30B, ASN79A, ASN79B, ASP105A, ASP105B, ASP34A, ASP34B, ASP77A, ASP77B, ASP94A, ASP94B, GLN83A, GLN83B, GLN99A, GLN99B, GLU11A, GLU11B, GLU15A, GLU15B, GLY103A, GLY103B, GLY32A, GLY32B, GLY58A, GLY58B, GLY60A, GLY60B, GLY61A, GLY61B, GLY62A, GLY62B, ILE108A, ILE108B, ILE112A, ILE112B, ILE16A, ILE16B, ILE18A, ILE18B, ILE35A, ILE35B, ILE37A, ILE37B, ILE57A, ILE57B, ILE75A, ILE75B, ILE98A, ILE98B, LEU101A, LEU101B, LEU102A, LEU102B, LEU10A, LEU10B, LEU114A, LEU114B, LEU28A, LEU28B, LEU29A, LEU29B, LEU92A, LEU92B, LEU97A, LEU97B, LYS109A, LYS109B, LYS12A, LYS12B, LYS63A, LYS63B, LYS81A, LYS81B, MET107A, MET107B, MET116A, MET116B, MET56A, MET56B, PHE110A, PHE110B, PRO14A, PRO14B, SER96A, SER96B, THR31A, THR31B, THR6A, THR6B, THR7A, THR7B, THR82A, THR82B, THR8A, THR8B, THR9A, THR9B, TYR80A, TYR80B, VAL115A, VAL115B, VAL59A, VAL59B
• A-I: ALA205I, ALA33A, ARG104A, ARG13A, ASN30A, ASN55A, ASP34A, CYS90A, GLN54A, GLN99A, GLU206I, GLY103A, GLY32A, GLY58A, GLY60A, GLY61A, GLY62A, ILE35A, ILE37A, ILE57A, ILE98A, LEU101A, LEU204I, LEU28A, LEU92A, LEU97A, LYS63A, MET56A, PRO100A, THR31A, THR36A, VAL203I, VAL59A
• A-J: ALA205J, ALA33A, ARG104A, ARG13A, ASN30A, ASN55A, ASP105A, ASP34A, CYS90A, GLN54A, GLN99A, GLU206J, GLY103A, GLY32A, GLY58A, GLY60A, GLY61A, GLY62A, ILE35A, ILE37A, ILE57A, ILE98A, LEU101A, LEU204J, LEU28A, LEU92A, LEU97A, LYS63A, MET56A, PRO100A, THR31A, THR36A, VAL203J, VAL59A
• B-I: ALA205I, ALA33B, ARG104B, ARG13B, ASN30B, ASN55B, ASP105B, ASP34B, CYS90B, GLN54B, GLN99B, GLU206I, GLY103B, GLY32B, GLY58B, GLY60B, GLY61B, GLY62B, ILE35B, ILE37B, ILE57B, ILE98B, LEU101B, LEU204I, LEU28B, LEU38B, LEU92B, LEU97B, LYS63B, MET56B, PRO100B, THR31B, THR36B, VAL203I, VAL59B
• B-J: ALA205J, ALA33B, ARG104B, ARG13B, ASN30B, ASN55B, ASP34B, CYS90B, GLN54B, GLN99B, GLU206J, GLY103B, GLY32B, GLY58B, GLY60B, GLY61B, GLY62B, ILE35B, ILE37B, ILE57B, ILE98B, LEU101B, LEU204J, LEU28B, LEU38B, LEU92B, LEU97B, LYS63B, MET56B, PRO100B, THR31B, THR36B, VAL203J, VAL59B
• I-J: ALA205I, ALA205J, GLU206I, GLU206J, LEU204I, LEU204J, VAL203I, VAL203J