3QG6

structural basis for ligand recognition and discrimination of a quorum quenching antibody

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: H-C
  • Int. Res.: 33
  • Norm. En. per Res.: -4.809
• Hub Node: A(4)

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	-27.3449	-25.012	-450.157	-502.5139	177	9	8	17602	1	16	9
A-H	-19.073	-40.6845	-79.5917	-139.3491	50	1	0	3198	6	21	23
A-L	-20.5765	9.8565	-104.536	-115.2561	109	7	0	5212	0	34	27
A-D	0.0	0.0	-64.7901	-64.7901	33	0	2	2605	0	0	0
B-L	-12.7745	-19.5554	-65.913	-98.2428	46	2	0	2908	4	21	22
B-D	-31.8398	0.0	-132.81	-164.6498	35	4	3	3974	0	0	0
H-L	-48.03	-22.0344	-458.173	-528.2374	178	12	9	17829	1	17	9
H-C	-30.4417	0.0	-128.255	-158.6967	33	5	3	3971	0	0	0
L-C	0.0	0.0	-66.8449	-66.8449	32	0	2	2587	0	0	0

Interface residues

• A-B: ALA125B, ALA130A, ALA176B, ALA34B, ARG211A, ARG38B, ARG94B, ASN137A, ASN138A, ASN157A, ASN161A, ASN210A, ASN212A, ASN35B, ASN43B, ASN60B, ASP101B, ASP165A, ASP167A, ASP170A, ASP1A, CYS128B, CYS134A, CYS142B, CYS88A, CYS92B, GLN105B, GLN124A, GLN179B, GLN38A, GLN39B, GLN42A, GLN6A, GLN90A, GLU123A, GLU213A, GLU226B, GLU46B, GLU6B, GLU95B, GLY100A, GLY101A, GLY104B, GLY106B, GLY128A, GLY129A, GLY141B, GLY146B, GLY158A, GLY169B, GLY41A, GLY42B, GLY49B, GLY96B, GLY99A, HIS172B, HIS34A, HIS93A, ILE117A, ILE223B, ILE37B, ILE85A, LEU124B, LEU125A, LEU136A, LEU140B, LEU143B, LEU160A, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU37A, LEU45B, LEU46A, LEU47A, LEU63B, LYS103A, LYS142A, LYS145B, LYS169A, LYS207A, LYS221B, LYS222B, LYS44B, LYS45A, MET175A, MET48B, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE36A, PHE40B, PHE50B, PHE55A, PHE91B, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO44A, PRO61B, PRO95A, SER116A, SER120B, SER121A, SER122A, SER127A, SER131A, SER137B, SER162A, SER167B, SER168B, SER174A, SER176A, SER177A, SER180B, SER188B, SER189B, SER190B, SER208A, SER228B, SER43A, SER56A, SER62B, SER89A, THR102A, THR114A, THR126A, THR139B, THR164A, THR172A, THR173B, THR178A, THR180A, THR186B, THR192B, THR58B, THR89B, THR91A, THR93B, THR97A, TRP103B, TRP157B, TRP163A, TRP199B, TRP36B, TRP47B, TYR102B, TYR122B, TYR173A, TYR185B, TYR32A, TYR33B, TYR49A, TYR59B, TYR86A, TYR87A, TYR96A, VAL115A, VAL121B, VAL127B, VAL132A, VAL133A, VAL138B, VAL144B, VAL159A, VAL171B, VAL177B, VAL191B, VAL219B, VAL94A
• A-H: ARG155A, ARG188A, ARG211A, ARG38H, ARG66H, ASN157A, ASN190A, ASN210A, ASN212A, ASN43H, ASP151A, ASP184A, ASP86H, GLN156A, GLN179H, GLU154A, GLU185A, GLU187A, GLU46H, GLU85H, GLY152A, GLY42H, HIS189A, HIS82H, ILE150A, ILE84H, LEU178H, LEU181A, LEU45H, LEU63H, LYS183A, LYS44H, LYS64H, MET48H, PHE40H, PHE67H, PRO41H, SER153A, SER180H, SER191A, SER62H, SER65H, SER82H, THR182A, THR83H, THR87H, TYR186A, TYR90H, VAL177H, VAL82H
• A-L: ALA196A, ALA196L, ARG155A, ARG155L, ARG211A, ARG211L, ARG24A, ARG24L, ASN145A, ASN145L, ASN157A, ASN157L, ASN161A, ASN161L, ASN190A, ASN190L, ASN210A, ASN210L, ASN212A, ASN212L, ASP143A, ASP143L, ASP151A, ASP151L, ASP1A, ASP1L, GLN156A, GLN156L, GLN27A, GLN27L, GLU154A, GLU154L, GLU195A, GLU195L, GLU213A, GLU213L, GLY100A, GLY100L, GLY152A, GLY152L, GLY158A, GLY158L, HIS198A, HIS198L, ILE144A, ILE144L, LEU160A, LEU160L, LEU4A, LEU4L, LEU9A, LEU9L, LYS103A, LYS103L, LYS142A, LYS142L, LYS147A, LYS147L, LYS149A, LYS149L, LYS199A, LYS199L, MET175A, MET175L, PHE209A, PHE209L, PRO204A, PRO204L, SER10A, SER153A, SER153L, SER162L, SER176L, SER177A, SER177L, SER191A, SER191L, SER203A, SER203L, SER208A, SER208L, SER26A, SER26L, THR178A, THR178L, THR193A, THR193L, THR197A, THR197L, THR202A, THR202L, THR5A, THR5L, THR97A, THR97L, TRP148A, TRP148L, TRP163A, TRP163L, VAL146A, VAL146L, VAL159A, VAL159L, VAL206A, VAL206L, VAL2A, VAL2L, VAL3A, VAL3L
• A-D: ARG54A, ASN28A, ASN30A, CYS4D, GLN90A, HIS27A, HIS34A, ILE31A, ILE48A, ILE7D, LEU33A, LEU46A, LEU51A, LYS50A, MET8D, PHE36A, PHE55A, PHE6D, PHE98A, PRO44A, SER2D, SER53A, SER56A, SER89A, THR3D, THR91A, THR92A, TRP35A, TYR32A, TYR49A, TYR5D, TYR96A, VAL94A
• B-L: ARG155L, ARG188L, ARG211L, ARG38B, ARG66B, ASN157L, ASN190L, ASN210L, ASN212L, ASN43B, ASP151L, ASP184L, ASP86B, GLN156L, GLN179B, GLU154L, GLU185L, GLU187L, GLU46B, GLU85B, GLY152L, GLY42B, HIS189L, ILE150L, ILE84B, LEU178B, LEU181L, LEU45B, LEU63B, LYS183L, LYS44B, LYS64B, PHE40B, PRO41B, SER153L, SER180B, SER191L, SER62B, SER65B, SER82B, THR182L, THR83B, THR87B, TYR186L, VAL177B, VAL82B
• B-D: ALA34B, ARG94B, ASN32B, ASN35B, ASP101B, CYS4D, GLU95B, GLY49B, GLY55B, GLY96B, ILE37B, ILE51B, ILE7D, LEU45B, MET8D, PHE50B, PHE6D, SER2D, SER31B, SER52B, SER53B, THR3D, THR56B, THR57B, THR58B, THR93B, TRP103B, TRP35B, TRP36B, TRP47B, TYR102B, TYR27B, TYR33B, TYR54B, TYR5D
• H-L: ALA125H, ALA130L, ALA176H, ALA34H, ARG211L, ARG38H, ARG94H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN212L, ASN35H, ASN43H, ASN60H, ASP101H, ASP165L, ASP167L, ASP170L, ASP1L, CYS128H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN124L, GLN179H, GLN38L, GLN39H, GLN42L, GLN6L, GLN90L, GLU123L, GLU213L, GLU226H, GLU46H, GLU6H, GLU95H, GLY100L, GLY101L, GLY104H, GLY106H, GLY128L, GLY129L, GLY141H, GLY146H, GLY158L, GLY169H, GLY41L, GLY42H, GLY49H, GLY96H, GLY99L, HIS172H, HIS34L, HIS93L, ILE117L, ILE223H, ILE37H, ILE85L, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU45H, LEU46L, LEU47L, LEU63H, LEU9L, LYS103L, LYS142L, LYS145H, LYS169L, LYS207L, LYS221H, LYS222H, LYS44H, LYS45L, MET175L, MET48H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE36L, PHE40H, PHE50H, PHE55L, PHE67H, PHE91H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO44L, PRO61H, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER137H, SER162L, SER167H, SER168H, SER174L, SER176L, SER177L, SER180H, SER188H, SER189H, SER190H, SER208L, SER43L, SER56L, SER62H, SER89L, THR102L, THR114L, THR126L, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR58H, THR89H, THR91L, THR93H, THR97L, TRP103H, TRP157H, TRP163L, TRP199H, TRP36H, TRP47H, TYR102H, TYR122H, TYR173L, TYR185H, TYR192L, TYR32L, TYR33H, TYR49L, TYR59H, TYR86L, TYR87L, TYR96L, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL177H, VAL191H, VAL2L, VAL94L
• H-C: ALA34H, ARG94H, ASN32H, ASN35H, ASP101H, CYS4C, GLU95H, GLY49H, GLY96H, ILE37H, ILE51H, ILE7C, LEU45H, MET8C, PHE50H, PHE6C, SER31H, SER52H, SER53H, THR3C, THR56H, THR57H, THR58H, THR93H, TRP103H, TRP35H, TRP36H, TRP47H, TYR102H, TYR27H, TYR33H, TYR54H, TYR5C
• L-C: ARG54L, ASN28L, ASN30L, CYS4C, GLN90L, HIS27L, HIS34L, ILE31L, ILE48L, ILE7C, LEU33L, LEU46L, LEU51L, LYS50L, MET8C, PHE36L, PHE55L, PHE6C, PHE98L, PRO44L, SER53L, SER56L, SER89L, THR3C, THR91L, THR92L, TRP35L, TYR32L, TYR49L, TYR5C, TYR96L, VAL94L