2ARJ

cd8alpha-alpha in complex with yts 105.18 fab

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 188
  • Norm. En. per Res.: -3.0397
• 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
L-H	-24.5454	-7.1375	-509.468	-541.1509	192	18	13	19504	0	12	10
L-R	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
L-Q	-18.9071	-5.5622	-83.8217	-108.291	43	3	2	2900	0	2	3
H-Q	-12.4781	26.7803	-144.347	-130.0448	63	9	0	5208	0	12	10
A-B	-22.5726	-6.8589	-542.034	-571.4655	188	24	13	20059	0	13	11
A-R	-19.4818	-7.5641	-84.2954	-111.3413	41	8	2	3209	0	2	3
A-Q	0.0	0.0	-0.0122	-0.0122	2	0	0	10	0	0	1
B-R	-10.1536	32.375	-141.422	-119.2006	60	8	0	5230	0	13	10
R-Q	0.0	0.0	-204.648	-204.648	108	3	8	9575	0	2	7

Interface residues

• L-H: ALA100L, ALA125H, ALA130L, ALA176H, ALA34L, ALA51L, ALA62H, ARG142L, ARG211L, ARG228H, ARG38H, ARG90L, ASN137L, ASN138L, ASN210L, ASN32L, ASN60H, ASN93L, ASP101H, ASP157L, ASP161L, ASP165L, ASP167L, ASP169H, ASP170L, ASP1L, ASP58H, CYS128H, CYS134L, CYS142H, CYS88L, CYS92H, GLN124L, GLN166L, GLN181H, GLN221H, GLN37L, GLN38L, GLN39H, GLN42L, GLN89L, GLU123L, GLU46H, GLU6H, GLY101L, GLY104H, GLY106H, GLY127H, GLY129H, GLY129L, GLY141H, GLY158L, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY97H, GLY99L, HIS172H, HIS35H, ILE117L, ILE223H, ILE33L, ILE48L, ILE89H, ILE91L, ILE96H, LEU124H, LEU125L, LEU140H, LEU143H, LEU160L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU45H, LEU46L, LEU47L, LEU95H, LYS145H, LYS169L, LYS207L, LYS222H, LYS39L, LYS43H, LYS45L, MET122L, MET175L, MET48H, PHE100H, PHE102H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE85L, PHE91H, PHE98L, PRO105H, PRO119L, PRO120L, PRO123H, PRO126H, PRO151H, PRO175H, PRO227H, PRO40H, PRO40L, PRO41H, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER127L, SER131L, SER135H, SER162L, SER167H, SER168H, SER168L, SER174L, SER176L, SER177L, SER180L, SER182H, SER189H, SER190H, SER208L, SER33H, SER43L, SER61H, SER94L, SER98H, THR114L, THR126L, THR137H, THR139H, THR164L, THR172L, THR173H, THR178L, THR186H, THR188H, THR192H, THR56L, THR93H, THR97L, TRP103H, TRP157H, TRP196H, TRP35L, TRP36H, TRP47H, TRP52H, TRP99H, TYR100H, TYR122H, TYR173L, TYR185H, TYR186L, TYR36L, TYR49L, TYR50L, TYR53L, TYR55L, TYR59H, TYR86L, TYR87L, TYR90H, TYR92L, TYR96L, VAL115L, VAL121H, VAL132L, VAL133L, VAL136L, VAL138H, VAL144H, VAL159L, VAL163L, VAL171H, VAL177H, VAL191H, VAL219H, VAL226H, VAL2H, VAL37H
• L-R: ARG30L, LYS68R
• L-Q: ALA4Q, ALA51L, ARG30L, ARG54L, ARG8Q, ARG90L, ASN31L, ASN32L, ASN82Q, ASN83Q, ASN93L, GLU27Q, GLU6Q, GLY30Q, ILE33L, ILE91L, ILE9Q, LEU29Q, LEU7Q, LYS12Q, LYS84Q, PHE10Q, PHE67L, PRO11Q, PRO5Q, SER113Q, SER114Q, SER31Q, SER52L, SER94L, THR56L, THR81Q, TYR49L, TYR50L, TYR53L, TYR55L, TYR92L, TYR96L, VAL115Q, VAL116Q, VAL28Q, VAL29L, VAL32Q
• H-Q: ALA16Q, ARG71H, ARG8Q, ASN32H, ASN83Q, ASP101H, ASP15Q, ASP23Q, ASP54H, ASP56H, ASP58H, ASP80Q, CYS26Q, GLN20Q, GLU17Q, GLU27Q, GLY53H, GLY55H, GLY97H, HIS35H, ILE51H, ILE96H, ILE9Q, LEU119Q, LEU24Q, LEU29H, LEU29Q, LEU87Q, LEU89Q, LEU95H, LYS121Q, LYS12Q, LYS13Q, LYS21Q, LYS84Q, MET14Q, PHE102H, PHE10Q, PHE27H, PRO117Q, PRO11Q, PRO94H, SER114Q, SER28H, SER31H, SER33H, SER98H, THR30H, THR73H, THR81Q, THR88Q, TRP52H, TRP99H, TYR100H, TYR85Q, VAL116Q, VAL118Q, VAL122Q, VAL22Q, VAL25Q, VAL2H, VAL34H, VAL86Q
• A-B: ALA100A, ALA125B, ALA130A, ALA176B, ALA34A, ALA51A, ALA62B, ARG142A, ARG211A, ARG228B, ARG38B, ARG90A, ASN137A, ASN138A, ASN210A, ASN32A, ASN60B, ASN93A, ASP101B, ASP157A, ASP161A, ASP165A, ASP167A, ASP169B, ASP170A, ASP1A, ASP58B, CYS128B, CYS134A, CYS142B, CYS88A, CYS92B, GLN124A, GLN166A, GLN181B, GLN221B, GLN37A, GLN38A, GLN39B, GLN42A, GLN89A, GLU123A, GLU46B, GLU6B, GLY101A, GLY104B, GLY106B, GLY127B, GLY128A, GLY129A, GLY129B, GLY141B, GLY158A, GLY41A, GLY42B, GLY44B, GLY49B, GLY50B, GLY97B, GLY99A, HIS172B, HIS35B, ILE117A, ILE223B, ILE33A, ILE48A, ILE89B, ILE91A, LEU124B, LEU125A, LEU140B, LEU143B, LEU160A, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU191A, LEU45B, LEU46A, LEU47A, LEU95B, LYS145B, LYS169A, LYS207A, LYS222B, LYS39A, LYS43B, LYS45A, MET122A, MET175A, MET48B, PHE100B, PHE102B, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE85A, PHE91B, PHE98A, PRO105B, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO40A, PRO44A, PRO95A, SER116A, SER120B, SER121A, SER127A, SER131A, SER135B, SER162A, SER167B, SER168A, SER168B, SER174A, SER176A, SER177A, SER180A, SER182B, SER189B, SER190B, SER208A, SER33B, SER43A, SER61B, SER94A, SER98B, THR114A, THR126A, THR137B, THR139B, THR164A, THR172A, THR173B, THR178A, THR182A, THR186B, THR188B, THR192B, THR56A, THR93B, THR97A, TRP103B, TRP157B, TRP196B, TRP35A, TRP36B, TRP47B, TRP52B, TRP99B, TYR100B, TYR122B, TYR173A, TYR185B, TYR186A, TYR36A, TYR49A, TYR50A, TYR53A, TYR55A, TYR59B, TYR86A, TYR87A, TYR92A, TYR96A, VAL115A, VAL121B, VAL132A, VAL133A, VAL136A, VAL138B, VAL144B, VAL159A, VAL163A, VAL171B, VAL177B, VAL191B, VAL219B, VAL2B, VAL37B
• A-R: ALA4R, ALA51A, ARG30A, ARG54A, ARG8R, ARG90A, ASN31A, ASN32A, ASN82R, ASN83R, ASN93A, GLU27R, GLU6R, GLY30R, ILE33A, ILE91A, ILE9R, LEU29R, LEU7R, LYS12R, LYS84R, PHE10R, PHE67A, PRO11R, PRO5R, SER114R, SER31R, SER52A, SER94A, THR56A, THR81R, TYR49A, TYR50A, TYR53A, TYR55A, TYR92A, TYR96A, VAL115R, VAL116R, VAL28R, VAL29A
• A-Q: ARG30A, LYS68Q
• B-R: ALA16R, ARG71B, ARG8R, ASN32B, ASN82R, ASN83R, ASP101B, ASP15R, ASP23R, ASP54B, ASP56B, ASP58B, ASP80R, CYS26R, GLN1B, GLN20R, GLU17R, GLU27R, GLY53B, GLY55B, GLY97B, HIS35B, ILE51B, ILE96B, ILE9R, LEU119R, LEU24R, LEU29B, LEU29R, LEU89R, LEU95B, LYS121R, LYS12R, LYS13R, LYS21R, LYS84R, MET14R, PHE102B, PHE10R, PHE27B, PRO11R, PRO94B, SER114R, SER28B, SER31B, SER33B, SER98B, THR30B, THR88R, TRP52B, TRP99B, TYR100B, TYR85R, VAL116R, VAL122R, VAL22R, VAL25R, VAL2B, VAL34B, VAL86R
• R-Q: ALA4Q, ALA4R, ALA57Q, ALA57R, ASN107Q, ASN107R, ASN42R, ASP66Q, ASP66R, CYS102Q, CYS102R, CYS36Q, GLN34Q, GLN34R, GLN41Q, GLN41R, GLN49Q, GLN49R, GLU67Q, GLU67R, GLY35Q, GLY35R, GLY98Q, GLY98R, ILE105Q, ILE105R, ILE63Q, ILE9Q, ILE9R, LEU119Q, LEU119R, LEU39Q, LEU39R, LEU47Q, LEU47R, LEU7Q, LYS12Q, LYS12R, LYS13Q, LYS13R, LYS46Q, LYS46R, LYS62Q, LYS62R, LYS68Q, LYS68R, MET110Q, MET110R, MET56Q, MET56R, PHE101Q, PHE101R, PHE112Q, PHE112R, PHE40Q, PHE40R, PHE52Q, PHE52R, PRO117Q, PRO117R, PRO48Q, PRO48R, PRO50Q, PRO50R, SER103Q, SER103R, SER106Q, SER106R, SER108Q, SER108R, SER113Q, SER113R, SER114Q, SER114R, SER37Q, SER37R, SER43Q, SER43R, SER45Q, SER45R, THR51Q, THR51R, THR64Q, THR64R, TRP38Q, TRP38R, TRP65Q, TRP65R, TYR100Q, TYR100R, TYR111Q, TYR111R, TYR55Q, TYR55R, TYR99Q, TYR99R, VAL104Q, VAL104R, VAL109Q, VAL109R, VAL115Q, VAL115R, VAL116Q, VAL116R, VAL53Q, VAL53R, VAL54Q, VAL54R