2B2X

vla1 rdeltah i-domain complexed with a quadruple mutant of the aqc2 fab

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-L
  • Int. Res.: 39
  • Norm. En. per Res.: -3.0937
• 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-H	-18.7073	1.2348	-170.319	-187.7915	68	8	0	5607	1	15	11
A-L	-6.0063	-7.9609	-106.688	-120.6552	39	7	0	3527	1	3	4
A-M	0.0	2.1327	-3.548	-1.4153	13	3	0	526	0	8	5
H-L	-25.9563	-27.0191	-474.412	-527.3873	177	15	9	17769	3	11	6
L-B	0.0	0.0	-0.023	-0.023	4	0	0	10	0	0	1
L-M	-4.3274	-8.3055	-57.3106	-69.9436	53	6	0	2568	0	5	6
B-I	-28.9168	-7.0018	-158.312	-194.2305	66	4	0	5250	1	14	10
B-M	-9.5436	-7.716	-107.136	-124.3956	44	5	0	3394	1	3	4
I-M	-32.7235	-21.1289	-489.76	-543.6124	180	18	9	18046	2	11	6

Interface residues

• A-H: ALA49H, ARG219A, ARG222A, ARG31H, ARG71H, ASN157A, ASN193A, ASN290A, ASN73H, ASP101H, ASP154A, ASP257A, ASP320A, ASP61H, GLN189A, GLN218A, GLN223A, GLU163A, GLU192A, GLU259A, GLU321A, GLY100H, GLY102H, GLY103H, GLY155A, GLY191A, GLY220A, GLY221A, GLY258A, GLY287A, GLY53H, GLY54H, GLY55H, HIS261A, HIS288A, HIS56H, ILE159A, ILE51H, LEU294A, LEU322A, LEU60H, MET225A, MET34H, PHE29H, PHE99H, PRO161A, SER156A, SER158A, SER164A, SER260A, SER30H, SER35H, SER52H, THR224A, THR28H, THR33H, THR57H, TRP162A, TRP47H, TYR104H, TYR160A, TYR289A, TYR32H, TYR58H, TYR59H, VAL217A, VAL48H, VAL50H
• A-L: ARG222A, ARG265A, ASN157A, ASN263A, ASN30L, ASN93L, ASP262A, GLN223A, GLN268A, GLN28L, GLN89L, GLU192A, GLU259A, GLU297A, GLU302A, GLY221A, GLY67L, GLY92L, HIS261A, HIS31L, ILE2L, LEU294A, LEU49L, LYS298A, MET225A, PHE33L, PRO94L, SER260A, SER27L, SER295A, SER91L, THR224A, TRP90L, TRP95L, TYR264A, TYR289A, TYR48L, TYR52L, VAL29L
• A-M: ARG159M, ASN149M, ASN161M, ASP275A, GLN160M, GLN268A, GLN271A, GLU158M, GLU274A, GLU309A, LYS151M, LYS267A, VAL150M
• H-L: ALA130H, ALA134L, ALA173H, ALA42L, ALA49H, ALA54L, ARG38H, ARG97H, ASN141L, ASN142L, ASN161L, ASN165L, ASN93L, ASP101H, ASP106H, ASP169L, ASP171L, ASP174L, ASP61H, CYS138L, CYS145H, CYS87L, CYS95H, GLN110H, GLN128L, GLN176H, GLN1L, GLN36L, GLN37L, GLN39H, GLN88L, GLN89L, GLN99L, GLU127L, GLU46H, GLU6H, GLY100H, GLY100L, GLY102H, GLY103H, GLY109H, GLY111H, GLY133L, GLY144H, GLY162L, GLY167H, GLY40L, GLY42H, GLY44H, GLY98H, GLY98L, HIS169H, HIS31L, ILE121L, ILE215H, ILE47L, ILE51H, LEU129H, LEU129L, LEU140L, LEU143H, LEU146H, LEU164L, LEU175H, LEU179H, LEU182H, LEU183L, LEU185L, LEU45H, LEU49L, LEU53L, LEU60H, LYS148H, LYS173L, LYS211L, LYS213H, LYS214H, LYS41L, LYS43H, LYS44L, MET140H, MET179L, MET34H, PHE105H, PHE122L, PHE139L, PHE143L, PHE171H, PHE213L, PHE33L, PHE97L, PHE99H, PRO123L, PRO124L, PRO128H, PRO131H, PRO172H, PRO39L, PRO43L, PRO45L, PRO94L, SER120L, SER125H, SER125L, SER126L, SER131L, SER135L, SER165H, SER166H, SER166L, SER172L, SER177H, SER178L, SER180L, SER181L, SER183H, SER184H, SER185H, SER35H, SER52H, SER55L, SER62H, SER91L, THR118L, THR130L, THR142H, THR168L, THR170H, THR176L, THR181H, THR182L, THR184L, THR187H, THR33H, THR84L, THR96H, THR96L, TRP108H, TRP159H, TRP167L, TRP193H, TRP34L, TRP36H, TRP46L, TRP47H, TRP90L, TRP95L, TYR104H, TYR127H, TYR177L, TYR180H, TYR35L, TYR48L, TYR52L, TYR58H, TYR59H, TYR85L, TYR86L, TYR94H, VAL107H, VAL119L, VAL126H, VAL136L, VAL137L, VAL141H, VAL147H, VAL163L, VAL168H, VAL174H, VAL186H, VAL211H, VAL216H, VAL37H, VAL48H, VAL50H, VAL57L, VAL92H
• L-B: ASN161L, GLN160L, GLN271B, LYS267B
• L-M: ALA25L, ARG18L, ARG18M, ASP147M, ASP17L, ASP17M, ASP69L, ASP69M, CYS23L, CYS23M, GLN3L, GLN3M, GLN6L, GLN6M, GLN99M, ILE21L, ILE21M, LEU11L, LEU11M, LEU4L, LYS102M, LYS106L, LYS106M, PRO8L, PRO8M, SER10L, SER10M, SER12L, SER12M, SER24L, SER24M, SER26L, SER26M, SER66L, SER66M, SER7L, SER7M, SER9L, SER9M, THR101M, THR20L, THR20M, THR22L, THR22M, THR5L, THR5M, THR68L, THR68M, THR71L, THR71M, TYR70L, TYR70M, VAL19M
• B-I: ALA49I, ARG219B, ARG222B, ARG31I, ARG71I, ASN157B, ASN193B, ASN73I, ASP101I, ASP154B, ASP257B, ASP320B, ASP61I, GLN189B, GLN218B, GLN223B, GLU192B, GLU259B, GLU321B, GLY100I, GLY102I, GLY103I, GLY155B, GLY191B, GLY220B, GLY221B, GLY258B, GLY287B, GLY53I, GLY54I, GLY55I, GLY98I, HIS261B, HIS288B, HIS56I, ILE159B, ILE51I, LEU322B, LEU60I, MET225B, MET34I, PHE29I, PHE99I, PRO161B, SER156B, SER158B, SER164B, SER260B, SER30I, SER35I, SER52I, THR224B, THR28I, THR33I, THR57I, TRP162B, TRP47I, TYR104I, TYR160B, TYR289B, TYR32I, TYR58I, TYR59I, VAL217B, VAL48I, VAL50I
• B-M: ARG222B, ARG265B, ASN157B, ASN193B, ASN263B, ASN30M, ASN93M, ASP262B, GLN223B, GLN28M, GLN89M, GLU192B, GLU259B, GLU297B, GLU302B, GLY221B, GLY67M, GLY92M, HIS261B, HIS31M, ILE2M, LEU49M, LYS298B, MET225B, PHE299B, PHE33M, PRO94M, SER260B, SER27M, SER295B, SER51M, SER91M, THR224B, THR296B, THR50M, THR96M, TRP90M, TRP95M, TYR264B, TYR289B, TYR48M, TYR52M, TYR70M, VAL29M
• I-M: ALA130I, ALA134M, ALA173I, ALA42M, ALA49I, ALA54M, ARG38I, ARG97I, ASN141M, ASN142M, ASN161M, ASN165M, ASN93M, ASP101I, ASP106I, ASP169M, ASP171M, ASP174M, ASP61I, CYS138M, CYS145I, CYS87M, CYS95I, GLN110I, GLN128M, GLN176I, GLN1M, GLN36M, GLN37M, GLN39I, GLN88M, GLN89M, GLN99M, GLU127M, GLU46I, GLU6I, GLY100I, GLY100M, GLY102I, GLY103I, GLY109I, GLY111I, GLY132M, GLY133M, GLY144I, GLY162M, GLY167I, GLY40M, GLY42I, GLY44I, GLY92M, GLY98I, GLY98M, HIS169I, HIS31M, ILE121M, ILE215I, ILE47M, ILE51I, LEU129I, LEU129M, LEU140M, LEU143I, LEU146I, LEU164M, LEU175I, LEU179I, LEU182I, LEU183M, LEU185M, LEU45I, LEU49M, LEU53M, LEU60I, LYS148I, LYS173M, LYS211M, LYS213I, LYS214I, LYS38M, LYS41M, LYS43I, LYS44M, MET140I, MET179M, MET32M, MET34I, PHE105I, PHE122M, PHE139M, PHE143M, PHE171I, PHE213M, PHE33M, PHE97M, PHE99I, PRO123M, PRO124M, PRO128I, PRO131I, PRO172I, PRO39M, PRO43M, PRO45M, PRO94M, SER120M, SER125I, SER125M, SER126M, SER131M, SER135M, SER165I, SER166I, SER166M, SER172M, SER177I, SER178M, SER180M, SER181M, SER183I, SER184I, SER185I, SER35I, SER52I, SER55M, SER62I, SER91M, THR118M, THR130M, THR142I, THR168M, THR170I, THR176M, THR181I, THR182M, THR184M, THR187I, THR33I, THR84M, THR96I, THR96M, TRP108I, TRP159I, TRP167M, TRP193I, TRP34M, TRP36I, TRP46M, TRP47I, TRP90M, TRP95M, TYR104I, TYR127I, TYR177M, TYR180I, TYR35M, TYR48M, TYR52M, TYR58I, TYR59I, TYR85M, TYR86M, TYR94I, VAL107I, VAL119M, VAL126I, VAL136M, VAL137M, VAL141I, VAL147I, VAL163M, VAL168I, VAL174I, VAL186I, VAL216I, VAL2I, VAL37I, VAL48I, VAL50I, VAL92I