3Q6D

xaa-pro dipeptidase from bacillus anthracis.

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -2.2771
• Hub Node: A(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
A-B	-48.201	-17.6529	-222.066	-287.9199	128	5	6	8499	2	34	22
A-D	-6.1562	0.9363	-57.2082	-62.4282	54	1	0	2833	0	32	26
B-C	0.0	0.0	-0.0041	-0.0041	3	0	0	7	0	1	3
B-D	0.0	-6.9317	-46.9369	-53.8685	37	0	3	2258	1	16	14
C-D	-46.1125	-24.038	-205.376	-275.5265	121	11	6	8390	1	37	19

Interface residues

• A-B: ALA105A, ALA176A, ALA176B, ALA198A, ALA198B, ARG172A, ARG172B, ARG190A, ARG302A, ARG302B, ARG54A, ARG54B, ASN165A, ASN165B, ASP182A, ASP182B, ASP52A, ASP52B, ASP96A, ASP96B, GLN174A, GLN174B, GLN58A, GLN58B, GLN95A, GLN95B, GLU162A, GLU162B, GLU166A, GLU166B, GLU168A, GLU168B, GLU200A, GLU200B, GLU279B, GLU57A, GLU57B, GLU94A, GLU94B, GLY175A, GLY175B, GLY196A, GLY196B, GLY282B, GLY35A, GLY35B, GLY73B, HIS195A, HIS195B, HIS283B, ILE115A, ILE115B, ILE161A, ILE161B, ILE183A, ILE183B, ILE184A, LEU167A, LEU167B, LEU193A, LEU193B, LEU74A, LEU98A, LEU98B, LYS107A, LYS107B, LYS173A, LYS173B, LYS218A, LYS218B, MET171A, MET171B, PHE114A, PHE114B, PHE153B, PHE169A, PHE169B, PHE170A, PHE170B, PHE281B, PHE53A, PHE53B, PHE93A, PHE93B, PRO116A, PRO116B, PRO194A, PRO194B, PRO322A, SER101A, SER101B, SER102A, SER102B, SER104A, SER104B, SER118A, SER118B, SER164A, SER164B, SER178A, SER178B, SER179A, SER179B, SER284B, THR117A, THR117B, THR177A, THR177B, THR34A, THR34B, THR36A, THR36B, THR97A, THR97B, THR99A, THR99B, TYR100A, TYR100B, TYR103A, TYR103B, TYR216A, TYR216B, TYR217A, TYR280B, TYR55A, TYR55B, VAL197A, VAL197B
• A-D: ALA145D, ALA266A, ALA300A, ARG226D, ARG250D, ARG262A, ARG269A, ARG302A, ASN242D, ASN253D, ASN340D, ASP144D, ASP270A, ASP304A, ASP331D, ASP332D, GLN141D, GLN248D, GLU148D, GLU246D, GLU263A, GLU274A, GLU279A, GLU341D, GLU349D, GLY276A, GLY278A, GLY282A, ILE333D, ILE343D, ILE351D, LEU151D, LEU245D, LEU249D, LEU350D, LYS137D, LYS345D, LYS348D, PHE147D, PHE281A, PHE301A, PRO347D, SER303A, SER346D, THR260A, THR273A, THR305A, THR336D, THR344D, TYR271A, TYR277A, TYR280A, VAL252D, VAL342D
• B-C: LYS173C, LYS84B, PHE169C
• B-D: ALA109B, ALA145D, ALA72B, ALA80B, ARG155D, ASP77B, GLN174D, GLN70B, GLN82B, GLU108B, GLU148D, GLU78B, GLU85B, GLY73B, HIS149D, HIS71B, ILE150D, ILE154D, ILE228D, ILE351D, ILE352D, ILE75B, ILE76B, LEU151D, LEU353D, LEU74B, LYS173D, LYS81B, LYS84B, PHE147D, PHE153D, PHE169D, PHE170D, PRO156D, SER152D, VAL158D, VAL79B
• C-D: ALA105C, ALA105D, ALA176C, ALA176D, ALA198C, ALA198D, ARG172C, ARG172D, ARG190C, ARG190D, ARG302D, ARG54C, ARG54D, ASN165C, ASN165D, ASP182C, ASP182D, ASP52D, ASP96C, ASP96D, GLN174C, GLN174D, GLN58C, GLN58D, GLN95C, GLN95D, GLU162C, GLU162D, GLU166C, GLU166D, GLU168C, GLU168D, GLU200C, GLU200D, GLU57D, GLU94C, GLU94D, GLY175C, GLY175D, GLY196C, GLY196D, GLY282D, GLY35D, GLY73C, HIS195C, HIS195D, ILE115C, ILE115D, ILE161C, ILE161D, ILE183C, ILE183D, ILE184C, ILE184D, LEU167C, LEU167D, LEU193C, LEU193D, LEU74C, LEU98C, LEU98D, LYS107C, LYS107D, LYS173C, LYS173D, MET171C, MET171D, PHE114C, PHE114D, PHE153C, PHE153D, PHE169C, PHE169D, PHE170C, PHE170D, PHE53C, PHE53D, PHE93C, PHE93D, PRO116C, PRO116D, PRO194C, PRO194D, PRO322C, SER101C, SER101D, SER102C, SER102D, SER104C, SER104D, SER118C, SER118D, SER159C, SER164C, SER164D, SER178C, SER178D, SER179C, SER179D, THR117C, THR117D, THR177C, THR177D, THR36C, THR36D, THR97C, THR97D, THR99C, THR99D, TYR100C, TYR100D, TYR103C, TYR103D, TYR216C, TYR216D, TYR217C, TYR55C, TYR55D, VAL158C, VAL197C, VAL197D