1NAM

murine alloreactive scfv tcr-peptide-mhc class i molecule complex

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 88
  • Norm. En. per Res.: -3.8865
• 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-B	-84.4221	10.884	-280.164	-353.7021	93	22	7	11067	0	10	8
A-H	-34.3837	-15.7854	-83.9341	-134.1031	52	9	1	3493	2	18	22
A-P	0.0	0.0	-9.8043	-9.8043	17	2	1	525	0	2	0
B-H	0.0	1.7189	-55.4708	-53.7518	46	3	1	2717	3	19	19
B-P	0.0	0.0	-24.3676	-24.3676	14	1	1	1003	0	0	0
H-P	-59.9297	6.8525	-288.936	-342.0132	88	14	4	9920	1	8	10
H-L	-57.0645	-61.901	-310.367	-429.3325	124	25	1	12268	2	40	39

Interface residues

• A-B: ALA39A, ALA91A, ALA96B, ARG113B, ARG48A, ARG50B, ARG93A, ARG98B, ARG9B, ASN102A, ASN103B, ASP28A, ASP38B, ASP50A, ASP97B, CYS90A, CYS92B, CYS94B, GLN1A, GLN36B, GLN37A, GLN37B, GLN40B, GLN42B, GLN44B, GLN5A, GLU110B, GLU42A, GLU56B, GLY100B, GLY101A, GLY107A, GLY109A, GLY109B, GLY111B, GLY41A, GLY95A, GLY98A, GLY99A, ILE105A, ILE43A, ILE47A, LEU104A, LEU106B, LEU111A, LEU32A, LEU43B, LEU46A, LEU46B, LEU49B, LEU90B, LYS103A, LYS36A, LYS41B, LYS58B, MET32B, PHE106A, PHE108B, PHE31A, PHE33A, PHE45A, PHE47B, PHE89A, PRO30B, SER100A, SER30A, SER33B, SER40A, SER95B, THR105B, THR108A, THR2B, THR38A, THR48B, THR4A, THR87B, THR93B, TRP31B, TRP34A, TRP34B, TRP45B, TYR107B, TYR30A, TYR30B, TYR35A, TYR35B, TYR52A, TYR91B, TYR97A, VAL3A, VAL44A, VAL87A, VAL99B
• A-H: ALA150H, ALA153H, ALA158H, ALA67H, ARG155H, ARG157H, ARG48A, ARG62H, ASN70H, ASP28A, ASP50A, ASP96A, CYS164H, GLN27A, GLN65H, GLN72H, GLU152H, GLU154H, GLU161H, GLU166H, GLU24H, GLU58H, GLU61H, GLU71H, GLY101A, GLY151H, GLY162H, GLY69H, GLY95A, GLY98A, GLY99A, LEU156H, LYS2A, LYS53A, LYS54A, LYS66H, LYS68H, PHE31A, PHE74H, SER100A, SER29A, SER30A, SER51A, SER73H, THR163H, THR26A, THR64H, TRP167H, TYR159H, TYR30A, TYR52A, TYR97A
• A-P: ARG1P, ARG93A, ASP28A, ASP96A, GLN27A, GLN6P, GLY2P, GLY7P, GLY98A, GLY99A, PHE31A, SER29A, SER30A, TYR3P, TYR5P, TYR97A, VAL4P
• B-H: ALA150H, ALA67H, ALA96B, ARG155H, ARG50B, ARG69B, ARG75H, ARG79H, ARG98B, ASN103B, ASN70H, ASP54B, ASP72B, ASP77H, ASP97B, GLN149H, GLN29B, GLN65H, GLN72H, GLU152H, GLU71H, GLY100B, GLY151H, GLY53B, GLY69H, HIS145H, ILE142H, LEU49B, LYS146H, LYS66H, LYS68H, LYS89H, PHE74H, PRO30B, PRO52B, SER51B, SER73H, THR105B, THR143H, THR48B, THR71B, THR80H, TRP147H, TRP31B, VAL76H, VAL99B
• B-P: ALA96B, ARG50B, ARG98B, ASN103B, ASP97B, GLN6P, GLY100B, GLY7P, LEU8P, TRP31B, TYR3P, TYR5P, VAL4P, VAL99B
• H-P: ALA117H, ALA11H, ALA139H, ALA140H, ALA150H, ALA153H, ALA158H, ALA67H, ARG155H, ARG157H, ARG170H, ARG1P, ARG62H, ARG6H, ASN70H, ASP77H, CYS164H, GLN114H, GLN115H, GLN65H, GLN6P, GLN96H, GLU152H, GLU154H, GLU166H, GLU24H, GLU55H, GLU58H, GLU61H, GLU63H, GLU71H, GLY100H, GLY151H, GLY26H, GLY2P, GLY56H, GLY69H, GLY7P, ILE124H, ILE142H, ILE95H, ILE98H, LEU156H, LEU160H, LEU168H, LEU5H, LEU78H, LEU81H, LEU8P, LYS144H, LYS146H, LYS66H, MET23H, MET52H, PHE33H, PHE74H, PHE8H, PRO57H, SER73H, SER99H, THR143H, THR163H, THR64H, THR80H, TRP133H, TRP147H, TRP167H, TRP60H, TYR116H, TYR118H, TYR123H, TYR159H, TYR171H, TYR22H, TYR3P, TYR45H, TYR59H, TYR5P, TYR7H, TYR84H, TYR85H, VAL165H, VAL28H, VAL34H, VAL4P, VAL76H, VAL97H, VAL9H
• H-L: ALA117H, ALA11H, ALA125H, ALA139H, ALA236H, ALA40H, ALA66L, ARG111H, ARG12L, ARG14H, ARG202H, ARG21H, ARG234H, ARG35H, ARG48H, ARG6H, ARG97L, ASN24L, ASP119H, ASP122H, ASP137H, ASP238H, ASP30H, ASP37H, ASP53L, ASP59L, ASP85L, ASP96L, ASP98L, CYS121H, CYS25L, GLN114H, GLN115H, GLN242H, GLN29L, GLN2L, GLN6L, GLN87H, GLN8L, GLN96H, GLU102H, GLU232H, GLU24H, GLU32H, GLY120H, GLY207H, GLY237H, GLY239H, GLY91H, HIS13L, HIS188H, HIS192H, HIS31L, HIS34L, HIS67L, HIS93H, ILE124H, ILE1L, ILE22L, ILE35L, ILE64L, ILE7L, ILE95H, ILE98H, LEU17H, LEU206H, LEU230H, LEU23L, LEU65L, LYS186H, LYS243H, LYS3L, LYS58L, MET0L, MET138H, MET23H, MET51L, MET54L, MET99L, PHE241H, PHE30L, PHE56L, PHE62L, PHE8H, PRO14L, PRO15H, PRO15L, PRO235H, PRO32L, PRO33L, SER11L, SER13H, SER52L, SER55L, SER57L, SER61L, SER92H, SER99H, THR10H, THR190H, THR233H, THR240H, THR28L, THR94H, TRP204H, TRP244H, TRP60L, TYR10L, TYR113H, TYR116H, TYR118H, TYR123H, TYR26L, TYR27H, TYR63L, TYR7H, TYR85H, VAL12H, VAL231H, VAL25H, VAL27L, VAL97H, VAL9H, VAL9L