3FOL

crystal structure of the class i mhc molecule h-2kwm7 with a single self peptide vndiferi

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 90
  • Norm. En. per Res.: -3.9408
• Hub Node: A(2)

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	-51.259	-29.3275	-391.879	-472.4655	128	15	1	13839	2	40	40
A-P	-54.7659	-41.9858	-257.921	-354.6728	90	40	4	10007	2	19	20

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG111A, ARG121A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97A, ARG97B, ARG99A, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP37A, ASP39A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN87A, GLN8B, GLN96A, GLU102A, GLU229A, GLU232A, GLU24A, GLU32A, GLY120A, GLY207A, GLY237A, GLY239A, GLY91A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE35B, ILE64B, ILE7B, ILE95A, LEU206A, LEU230A, LEU23B, LEU65B, LYS186A, LYS243A, LYS3B, LYS58B, MET0B, MET23A, MET51B, MET54B, MET98A, MET99B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO15A, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER246A, SER38A, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR31A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR22A, TYR26B, TYR27A, TYR63B, TYR7A, VAL116A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9A, VAL9B
• A-P: ALA117A, ALA139A, ALA140A, ALA150A, ALA152A, ALA153A, ALA158A, ALA163A, ALA67A, ALA81A, ARG155A, ARG170A, ARG6A, ARG75A, ARG79A, ARG7P, ARG83A, ARG97A, ARG99A, ASN2P, ASN70A, ASP156A, ASP3P, ASP77A, CYS101A, CYS164A, GLN114A, GLN115A, GLN63A, GLN65A, GLN72A, GLN96A, GLU166A, GLU24A, GLU6P, GLU71A, GLY100A, GLY151A, GLY26A, GLY62A, GLY69A, ILE124A, ILE142A, ILE4P, ILE66A, ILE8P, ILE95A, LEU160A, LEU168A, LEU5A, LEU78A, LEU82A, LYS144A, LYS146A, LYS68A, MET23A, MET52A, MET98A, PHE33A, PHE36A, PHE5P, PHE8A, SER73A, SER74A, THR10A, THR143A, THR80A, TRP133A, TRP147A, TRP167A, TRP60A, TYR113A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, VAL116A, VAL1P, VAL25A, VAL28A, VAL34A, VAL55A, VAL76A, VAL9A