1LEG

crystal structure of h-2kb bound to the dev8 peptide

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 86
  • Norm. En. per Res.: -4.3799
• 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	-69.0335	-15.7496	-401.636	-486.4191	131	17	2	13606	0	42	38
A-P	-68.5247	-14.8253	-293.318	-376.6679	86	15	3	10019	3	17	14

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA205A, ALA236A, ALA66B, ARG12B, ARG14A, ARG181A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP183A, ASP238A, ASP30A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLU232A, GLU24A, GLU32A, GLU50B, GLU69B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE35B, ILE64B, ILE7B, ILE95A, ILE98A, LEU17A, LEU206A, LEU230A, LEU23B, LEU65B, LYS186A, LYS243A, LYS3B, LYS48B, LYS58B, MET23A, MET51B, MET54B, MET99B, PHE208A, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO185A, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER184A, SER246A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR31A, THR68B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR116A, TYR118A, TYR123A, TYR209A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL189A, VAL231A, VAL25A, VAL27B, VAL93B, VAL97A, VAL9A, VAL9B
• A-P: ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA67A, ARG155A, ARG157A, ARG170A, ARG62A, ARG6A, ARG79A, ASN70A, ASP77A, CYS164A, GLN114A, GLN115A, GLN2P, GLN65A, GLN72A, GLU152A, GLU154A, GLU166A, GLU1P, GLU24A, GLU55A, GLU58A, GLU63A, GLU71A, GLY100A, GLY151A, GLY26A, GLY69A, ILE124A, ILE142A, ILE95A, ILE98A, LEU126A, LEU156A, LEU160A, LEU168A, LEU5A, LEU78A, LEU81A, LEU82A, LYS144A, LYS146A, LYS4P, LYS66A, MET23A, MET52A, PHE33A, PHE36A, PHE5P, PHE74A, PHE8A, SER73A, SER7P, SER99A, THR143A, THR163A, THR80A, TRP133A, TRP147A, TRP167A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR3P, TYR45A, TYR59A, TYR6P, TYR7A, TYR84A, TYR85A, VAL165A, VAL25A, VAL28A, VAL34A, VAL76A, VAL8P, VAL97A, VAL9A