3CVH

how tcr-like antibody recognizes mhc-bound peptide

• Total interactions analyzed: 45
• Total true interactions: 17
• Strongest Interaction:
  • Chains: O-Q
  • Int. Res.: 26
  • Norm. En. per Res.: -4.6453
• Hub Node: A(6)

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	-36.1098	-62.4877	-324.804	-423.4015	118	13	1	11482	3	38	34
A-C	-43.8407	7.7252	-248.575	-284.6906	83	17	3	9554	0	11	11
A-H	-11.546	-2.3603	-122.242	-136.1482	69	8	3	5187	0	10	11
A-L	0.0	18.3409	-51.8759	-33.535	40	2	1	2165	3	14	8
A-M	0.0	5.71	-138.359	-132.649	81	1	0	5314	4	34	30
A-R	0.0	0.0	-12.6031	-12.6031	28	0	0	880	0	4	4
C-H	-16.9385	-12.4652	-81.1135	-110.5172	25	2	0	2247	2	4	3
C-L	-4.5309	0.0	-10.1787	-14.7096	14	2	0	405	0	1	0
H-L	-39.9126	-22.7417	-478.084	-540.7383	179	11	12	18487	1	8	7
L-M	0.0	0.0	-8.5325	-8.5325	21	0	0	557	0	3	4
M-N	-58.3076	-44.9555	-329.988	-433.2511	119	14	1	12040	2	36	33
M-O	-44.054	8.5075	-257.364	-292.9105	84	11	3	9542	0	11	11
M-Q	-6.7839	-1.7261	-123.276	-131.786	65	3	2	5317	0	11	12
M-R	-10.5021	-31.8365	-44.0621	-86.4007	40	5	1	2291	3	15	8
O-Q	-28.08	-14.4511	-78.2468	-120.7779	26	7	0	2273	2	4	3
O-R	0.0	0.0	-11.194	-11.194	15	2	0	458	0	1	0
Q-R	-43.9539	-16.6254	-464.528	-525.1073	178	15	12	18175	1	9	6

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA40A, ALA66B, ARG12B, ARG14A, ARG194A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASP119A, ASP122A, ASP238A, ASP29A, ASP30A, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS121A, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLU229A, GLU232A, GLU24A, GLU32A, GLY120A, GLY207A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE64B, ILE7B, ILE95A, ILE98A, LEU17A, LEU206A, LEU230A, LEU23B, LEU65B, LYS243A, LYS3B, LYS58B, MET23A, MET54B, MET99B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER193A, SER246A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL27B, VAL97A, VAL9A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA67A, ARG155A, ARG157A, ARG170A, ARG62A, ARG6A, ARG79A, ASN4C, ASN70A, ASP77A, CYS164A, GLN114A, GLN115A, GLN65A, GLN96A, GLU152A, GLU166A, GLU24A, GLU63A, GLU6C, GLU71A, GLY100A, GLY151A, GLY26A, GLY69A, ILE124A, ILE142A, ILE2C, ILE3C, ILE95A, ILE98A, LEU156A, LEU160A, LEU168A, LEU5A, LEU78A, LEU81A, LEU82A, LEU8C, LYS144A, LYS146A, LYS66A, LYS7C, MET23A, MET52A, PHE33A, PHE36A, PHE5C, PHE74A, PHE8A, SER1C, SER73A, SER99A, THR10A, THR143A, THR163A, THR80A, TRP133A, TRP147A, TRP167A, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, VAL25A, VAL34A, VAL76A, VAL97A, VAL9A
• A-H: ALA105H, ALA150A, ALA67A, ARG155A, ARG75A, ARG79A, ASN103H, ASN32H, ASN51H, ASN53H, ASN54H, ASN60H, ASN70A, ASP30H, ASP49H, ASP77A, GLN149A, GLN61H, GLN65A, GLN72A, GLU148A, GLU152A, GLU19A, GLU71A, GLY102H, GLY151A, GLY48H, GLY55H, GLY56H, GLY65H, GLY69A, GLY83A, HIS145A, ILE142A, ILE47H, ILE50H, ILE58H, LEU156A, LEU69H, LEU78A, LEU81A, LEU82A, LYS146A, LYS62H, LYS64H, LYS66A, LYS68A, LYS89A, PHE104H, PHE74A, PRO52H, PRO99H, SER73A, THR143A, THR29H, THR57H, THR64A, THR80A, TRP106H, TRP147A, TRP46H, TYR100H, TYR101H, TYR116A, TYR31H, TYR59H, TYR84A, VAL71H, VAL76A
• A-L: ALA150A, ALA153A, ALA158A, ARG155A, ARG157A, ARG31L, ARG62A, ARG67L, ASN30L, ASN70A, ASP27L, CYS164A, GLN2L, GLN65A, GLU152A, GLU154A, GLU161A, GLU166A, GLU26L, GLY151A, GLY162A, GLY69A, ILE1L, ILE28L, LEU156A, LEU160A, LYS66A, PRO94L, SER25L, SER73A, SER92L, THR163A, THR93L, THR96L, TRP167A, TRP91L, TYR159A, TYR29L, TYR90L, VAL165A
• A-M: ARG108A, ARG108M, ARG157A, ARG157M, ARG169A, ARG169M, ARG170M, ASP106A, ASP106M, ASP212A, ASP212M, GLN218M, GLN264A, GLN264M, GLU154A, GLU154M, GLU161A, GLU161M, GLU166A, GLU166M, GLU222A, GLU222M, GLU223A, GLU223M, GLU268A, GLU268M, GLY104A, GLY104M, GLY107A, GLY107M, GLY1A, GLY1M, GLY221A, GLY221M, GLY265A, GLY265M, HIS260A, HIS260M, HIS263A, HIS263M, ILE213A, ILE213M, ILE225A, ILE225M, LEU109A, LEU109M, LEU215A, LEU215M, LEU266A, LEU266M, LEU270A, LEU270M, LYS131A, LYS131M, LYS173A, LYS173M, MET228A, MET228M, PRO267A, PRO267M, PRO269A, PRO269M, PRO2A, PRO2M, SER105A, SER105M, THR182A, THR182M, THR214A, THR214M, THR216A, THR216M, THR271M, TRP217A, TYR262A, TYR262M, VAL103M, VAL165A, VAL165M, VAL261A, VAL261M
• A-R: ALA50R, ARG17R, ARG273A, ARG67R, ASN220A, ASN30R, ASP69R, GLN218A, GLU222A, GLY221A, GLY63R, GLY65R, HIS260A, ILE73R, LEU219A, LYS253A, PRO269A, SER62R, SER64R, SER66R, THR258A, THR271A, THR51R, THR71R, TYR256A, TYR262A, TYR29R, TYR70R
• C-H: ALA105H, ASN103H, ASN32H, ASN4C, ASN51H, ASP34H, ASP49H, GLU6C, GLY102H, GLY48H, GLY56H, ILE3C, ILE50H, ILE58H, LEU8C, LYS7C, LYS98H, MET33H, PHE104H, PHE5C, THR57H, TRP46H, TYR100H, TYR101H, TYR31H
• C-L: ASN4C, GLN89L, GLU26L, GLU6C, ILE1L, ILE3C, LYS7C, PHE5C, PRO94L, SER1C, SER92L, THR93L, TRP91L, TYR90L
• H-L: ALA105H, ALA108H, ALA129L, ALA132H, ALA175H, ALA33L, ALA42L, ALA50L, ALA96H, ALA99L, ARG31L, ARG44L, ARG97H, ASN103H, ASN136L, ASN137L, ASN160L, ASN209L, ASN30L, ASN41L, ASN60H, ASP164L, ASP166L, ASP169L, ASP34H, ASP49H, CYS133L, CYS147H, CYS87L, CYS95H, GLN112H, GLN123L, GLN178H, GLN2L, GLN37L, GLN38H, GLN5H, GLN5L, GLN61H, GLN88L, GLN89L, GLU122L, GLU45H, GLU54L, GLY100L, GLY102H, GLY111H, GLY113H, GLY127L, GLY128L, GLY134H, GLY146H, GLY157L, GLY169H, GLY40L, GLY41H, GLY48H, GLY49L, GLY98L, HIS171H, ILE116L, ILE217H, ILE47H, ILE47L, ILE58H, LEU124L, LEU131H, LEU135L, LEU145H, LEU148H, LEU159L, LEU177H, LEU178L, LEU180L, LEU181H, LEU184H, LEU32L, LEU3H, LEU44H, LEU45L, LEU46L, LEU95L, LYS141L, LYS150H, LYS168L, LYS206L, LYS215H, LYS216H, LYS37H, LYS38L, LYS42H, LYS62H, LYS98H, MET142H, MET174L, PHE104H, PHE107H, PHE117L, PHE134L, PHE138L, PHE173H, PHE208L, PHE63H, PHE97L, PRO118L, PRO119L, PRO130H, PRO133H, PRO174H, PRO43L, PRO94L, PRO99H, SER115L, SER120L, SER121L, SER126L, SER127H, SER130L, SER161L, SER168H, SER173L, SER175L, SER176L, SER179H, SER185H, SER186H, SER187H, SER207L, SER39H, SER43H, SER48L, SER52L, SER92L, THR113L, THR125L, THR144H, THR163L, THR171L, THR172H, THR177L, THR179L, THR183H, THR189H, THR84L, THR93L, THR96L, TRP106H, TRP110H, TRP161H, TRP162L, TRP195H, TRP34L, TRP35H, TRP46H, TRP91L, TYR100H, TYR109H, TYR129H, TYR172L, TYR182H, TYR35L, TYR59H, TYR85L, TYR86L, TYR90L, TYR94H, VAL114L, VAL128H, VAL131L, VAL132L, VAL143H, VAL149H, VAL158L, VAL170H, VAL176H, VAL188H, VAL218H, VAL36H, VAL92H
• L-M: ARG273M, ARG67L, ASN220M, ASN30L, ASP69L, GLN255M, GLU222M, GLY221M, GLY63L, GLY65L, HIS260M, ILE73L, LEU219M, SER64L, SER66L, THR258M, THR271M, THR51L, TYR256M, TYR29L, TYR70L
• M-N: ALA117M, ALA11M, ALA125M, ALA236M, ALA66N, ARG12N, ARG14M, ARG202M, ARG21M, ARG234M, ARG35M, ARG48M, ARG6M, ARG97N, ASN24N, ASP119M, ASP122M, ASP238M, ASP29M, ASP30M, ASP37M, ASP53N, ASP59N, ASP85N, ASP96N, ASP98N, CYS121M, CYS25N, GLN114M, GLN115M, GLN242M, GLN29N, GLN2N, GLN6N, GLN87M, GLN8N, GLN96M, GLU232M, GLU24M, GLU32M, GLU46M, GLY120M, GLY207M, GLY237M, GLY239M, HIS13N, HIS188M, HIS191M, HIS192M, HIS31N, HIS34N, HIS67N, HIS93M, ILE124M, ILE1N, ILE22N, ILE64N, ILE95M, ILE98M, LEU17M, LEU206M, LEU230M, LEU23N, LEU65N, LYS186M, LYS243M, LYS3N, LYS58N, MET23M, MET54N, MET99N, PHE241M, PHE30N, PHE56N, PHE62N, PHE8M, PRO14N, PRO15M, PRO15N, PRO235M, PRO32N, PRO33N, SER11N, SER13M, SER246M, SER4M, SER52N, SER55N, SER57N, SER61N, SER92M, SER99M, THR10M, THR190M, THR233M, THR240M, THR28N, THR31M, THR94M, TRP204M, TRP244M, TRP60N, TRP95N, TYR10N, TYR113M, TYR116M, TYR118M, TYR123M, TYR26N, TYR27M, TYR63N, TYR7M, VAL12M, VAL231M, VAL25M, VAL27N, VAL97M, VAL9M, VAL9N
• M-O: ALA117M, ALA139M, ALA140M, ALA150M, ALA153M, ALA158M, ALA67M, ARG155M, ARG157M, ARG170M, ARG62M, ARG6M, ARG79M, ASN4O, ASN70M, ASP77M, CYS164M, GLN114M, GLN115M, GLN72M, GLN96M, GLU152M, GLU166M, GLU24M, GLU63M, GLU6O, GLU71M, GLY100M, GLY151M, GLY26M, GLY69M, ILE124M, ILE142M, ILE2O, ILE3O, ILE95M, ILE98M, LEU126M, LEU156M, LEU160M, LEU168M, LEU5M, LEU78M, LEU81M, LEU8O, LYS144M, LYS146M, LYS66M, LYS7O, MET23M, MET52M, PHE33M, PHE36M, PHE5O, PHE74M, PHE8M, SER1O, SER73M, SER99M, THR10M, THR143M, THR163M, THR80M, TRP133M, TRP147M, TRP167M, TYR113M, TYR116M, TYR118M, TYR123M, TYR159M, TYR171M, TYR22M, TYR45M, TYR59M, TYR7M, TYR84M, TYR85M, VAL25M, VAL28M, VAL34M, VAL76M, VAL97M, VAL9M
• M-Q: ALA105Q, ALA150M, ARG155M, ARG75M, ARG79M, ASN103Q, ASN32Q, ASN51Q, ASN53Q, ASN54Q, ASN60Q, ASN70M, ASP30Q, ASP49Q, ASP77M, GLN149M, GLN61Q, GLN65M, GLN72M, GLU148M, GLU152M, GLU19M, GLU71M, GLY102Q, GLY151M, GLY48Q, GLY55Q, GLY56Q, GLY69M, GLY83M, HIS145M, ILE142M, ILE47Q, ILE50Q, ILE58Q, LEU78M, LEU81M, LEU82M, LYS146M, LYS62Q, LYS64Q, LYS66M, LYS68M, LYS73Q, LYS89M, PHE104Q, PHE63Q, PHE74M, PRO52Q, PRO99Q, SER73M, THR143M, THR29Q, THR57Q, THR64M, THR80M, TRP106Q, TRP147M, TRP46Q, TYR100Q, TYR101Q, TYR31Q, TYR59Q, TYR84M, VAL76M
• M-R: ALA150M, ALA153M, ALA158M, ARG155M, ARG157M, ARG31R, ARG62M, ARG67R, ASN30R, ASN70M, ASP27R, CYS164M, GLN2R, GLN65M, GLN72M, GLU152M, GLU154M, GLU161M, GLU166M, GLU26R, GLY151M, GLY162M, GLY69M, ILE1R, ILE28R, LEU156M, LEU160M, LYS66M, PRO94R, SER25R, SER73M, SER92R, THR163M, THR93R, TRP167M, TRP91R, TYR159M, TYR29R, TYR90R, VAL165M
• O-Q: ALA105Q, ASN103Q, ASN32Q, ASN4O, ASN51Q, ASN54Q, ASP34Q, ASP49Q, GLU6O, GLY102Q, GLY48Q, GLY56Q, ILE3O, ILE50Q, ILE58Q, LEU8O, LYS7O, LYS98Q, MET33Q, PHE104Q, PHE5O, PRO52Q, THR57Q, TRP46Q, TYR100Q, TYR101Q
• O-R: ASN4O, GLN89R, GLU26R, GLU6O, ILE1R, ILE3O, LEU95R, LYS7O, PHE5O, PRO94R, SER1O, SER92R, THR93R, TRP91R, TYR90R
• Q-R: ALA105Q, ALA108Q, ALA129R, ALA132Q, ALA175Q, ALA33R, ALA42R, ALA50R, ALA96Q, ALA99R, ARG31R, ARG44R, ARG97Q, ASN103Q, ASN136R, ASN137R, ASN160R, ASN41R, ASN60Q, ASP164R, ASP166R, ASP169R, ASP180Q, ASP34Q, ASP49Q, CYS133R, CYS147Q, CYS87R, CYS95Q, GLN112Q, GLN123R, GLN178Q, GLN2R, GLN37R, GLN38Q, GLN5Q, GLN5R, GLN61Q, GLN88R, GLN89R, GLU122R, GLU45Q, GLU54R, GLY100R, GLY102Q, GLY111Q, GLY113Q, GLY127R, GLY128R, GLY146Q, GLY151Q, GLY157R, GLY169Q, GLY40R, GLY41Q, GLY48Q, GLY49R, GLY98R, HIS171Q, HIS40Q, ILE116R, ILE217Q, ILE47Q, ILE47R, ILE58Q, LEU115Q, LEU124R, LEU131Q, LEU135R, LEU145Q, LEU148Q, LEU159R, LEU177Q, LEU178R, LEU180R, LEU181Q, LEU184Q, LEU32R, LEU44Q, LEU45R, LEU46R, LEU95R, LYS150Q, LYS168R, LYS206R, LYS215Q, LYS216Q, LYS37Q, LYS38R, LYS42Q, LYS62Q, LYS98Q, MET174R, PHE104Q, PHE107Q, PHE117R, PHE134R, PHE138R, PHE173Q, PHE208R, PHE63Q, PHE97R, PRO118R, PRO119R, PRO130Q, PRO133Q, PRO174Q, PRO39R, PRO43R, PRO94R, PRO99Q, SER115R, SER120R, SER121R, SER126R, SER127Q, SER130R, SER161R, SER167Q, SER168Q, SER173R, SER175R, SER176R, SER179Q, SER185Q, SER186Q, SER187Q, SER39Q, SER43Q, SER48R, SER52R, SER92R, THR113R, THR125R, THR144Q, THR163R, THR171R, THR172Q, THR177R, THR179R, THR183Q, THR189Q, THR84R, THR93R, THR96R, TRP106Q, TRP110Q, TRP161Q, TRP162R, TRP34R, TRP35Q, TRP46Q, TRP91R, TYR100Q, TYR109Q, TYR129Q, TYR172R, TYR182Q, TYR35R, TYR59Q, TYR85R, TYR86R, TYR90R, TYR94Q, VAL114R, VAL128Q, VAL131R, VAL132R, VAL143Q, VAL149Q, VAL158R, VAL170Q, VAL176Q, VAL188Q, VAL190Q, VAL218Q, VAL36Q, VAL92Q