2CIK

insights into crossreactivity in human allorecognition: the structure of hla-b35011 presenting an epitope derived from cytochrome p450.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 126
  • Norm. En. per Res.: -4.1461
• 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	-69.2966	-95.9689	-357.143	-522.4085	126	10	2	12660	6	46	41
A-C	-8.2818	6.9355	-292.804	-294.1503	92	14	7	10909	0	12	13
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG239A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN24B, ASP114A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU212A, GLU229A, GLU232A, GLU46A, GLU50B, GLY120A, GLY1A, GLY207A, GLY237A, GLY26A, GLY29B, HIS113A, HIS13B, HIS188A, HIS192A, HIS31B, HIS51B, HIS84B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, ILE94A, ILE95A, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET12A, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, PRO47A, SER116A, SER11B, SER13A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL9B
• A-C: ALA117A, ALA11A, ALA139A, ALA140A, ALA149A, ALA150A, ALA153A, ALA158A, ALA24A, ARG151A, ARG157A, ARG170A, ARG62A, ARG79A, ARG97A, ASN63A, ASN70A, ASN80A, ASP114A, ASP61A, CYS164A, GLN115A, GLN144A, GLN155A, GLN65A, GLN72A, GLN96A, GLU148A, GLU154A, GLU166A, GLU55A, GLU58A, GLU76A, GLY100A, GLY26A, GLY8C, HIS7C, ILE124A, ILE142A, ILE3C, ILE52A, ILE66A, ILE95A, LEU126A, LEU156A, LEU160A, LEU163A, LEU168A, LEU6C, LEU78A, LEU81A, LYS146A, LYS1C, LYS68A, MET5A, MET98A, PHE22A, PHE33A, PHE36A, PHE67A, PHE8A, PRO2C, SER116A, SER77A, THR143A, THR45A, THR64A, THR69A, THR71A, THR73A, TRP133A, TRP147A, TRP167A, TRP51A, TRP60A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR99A, TYR9A, TYR9C, VAL152A, VAL25A, VAL28A, VAL34A, VAL4C, VAL5C
• B-C: TRP60B, TYR9C