3P4O

crystal structure of h2-kb in complex with the mutant np205-lcmv-v3a epitope ytakypnl, an 8-mer modified peptide from the lcmv

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 84
  • Norm. En. per Res.: -3.9489
• Hub Node: A(4)

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	-45.7091	-73.4717	-334.761	-453.9418	120	19	1	11954	4	38	33
A-C	0.0	0.0	-0.0296	-0.0296	2	0	0	8	0	0	0
A-D	-8.3804	10.8282	-103.022	-100.5741	53	6	0	4171	0	12	13
A-F	-60.2933	0.8982	-249.711	-309.1061	85	16	4	9270	0	6	6
B-D	0.0	0.0	-1.4123	-1.4123	12	0	0	218	0	6	1
B-E	0.0	0.0	-2.3765	-2.3765	12	0	0	245	0	2	4
C-D	-75.6268	5.4761	-261.556	-331.7066	84	22	4	9433	0	6	6
D-E	-56.7907	-67.6893	-330.549	-455.0289	119	12	1	11755	3	36	32

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG111A, ARG12B, ARG14A, ARG194A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS121A, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLU102A, GLU229A, GLU232A, GLU24A, GLU32A, GLY100A, GLY120A, GLY207A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE64B, ILE7B, ILE95A, ILE98A, LEU206A, LEU230A, LEU65B, LYS186A, LYS243A, LYS3B, LYS58B, MET23A, MET54B, MET99B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER193A, SER246A, SER4A, 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: ARG50A, LEU8C
• A-D: ALA135D, ALA136D, ALA139D, ALA140D, ALA177A, ALA49A, ARG170A, ARG181A, ARG50A, ASN174A, ASN176A, ASN86D, ASP137D, ASP183A, ASP238A, GLN149D, GLN54A, GLU148D, GLU53A, GLU55A, GLY175A, GLY207A, GLY237A, GLY239A, GLY83D, HIS145D, ILE124D, ILE142D, LEU141D, LEU179A, LEU180A, LYS144D, LYS146D, LYS173A, MET138D, MET52A, PHE208A, PHE241A, PRO210A, SER184A, THR134D, THR143D, THR178A, THR182A, THR240A, THR31A, THR80D, TRP133D, TRP51A, TYR123D, TYR209A, TYR84D, TYR85D
• A-F: ALA117A, ALA11A, ALA139A, ALA140A, ALA150A, ALA153A, ALA3F, ALA67A, ARG155A, ARG170A, ARG62A, ARG6A, ARG75A, ARG79A, ASN70A, ASN7F, ASP77A, CYS101A, CYS164A, GLN114A, GLN115A, GLN65A, GLN72A, GLN96A, GLU152A, GLU166A, GLU24A, GLU55A, GLU58A, GLU63A, GLU71A, GLY100A, GLY26A, GLY69A, ILE124A, ILE142A, ILE95A, ILE98A, LEU126A, LEU156A, LEU160A, LEU168A, LEU5A, LEU78A, LEU81A, LEU8F, LYS144A, LYS146A, LYS4F, LYS66A, LYS68A, PHE33A, PHE36A, PHE74A, PHE8A, PRO6F, SER73A, SER99A, THR143A, THR163A, THR2F, THR64A, THR80A, TRP133A, TRP147A, TRP167A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR1F, TYR22A, TYR45A, TYR59A, TYR5F, TYR7A, TYR84A, TYR85A, VAL165A, VAL25A, VAL34A, VAL76A, VAL97A, VAL9A
• B-D: ARG12B, ASN86D, GLN87D, GLU50B, GLU69B, HIS13B, HIS67B, ILE22B, LYS48B, LYS89D, SER88D, TYR85D
• B-E: ALA88E, ASP85E, GLN2E, GLU16B, GLY18B, HIS13B, ILE1E, LYS19B, MET87E, PRO20B, SER86E, THR4E
• C-D: ALA117D, ALA139D, ALA140D, ALA150D, ALA153D, ALA3C, ALA67D, ARG155D, ARG170D, ARG62D, ARG6D, ARG75D, ASN70D, ASN7C, ASP77D, CYS101D, CYS164D, GLN114D, GLN115D, GLN65D, GLN72D, GLN96D, GLU152D, GLU166D, GLU24D, GLU58D, GLU63D, GLU71D, GLY100D, GLY26D, GLY69D, ILE124D, ILE142D, ILE95D, ILE98D, LEU156D, LEU160D, LEU168D, LEU5D, LEU78D, LEU81D, LEU8C, LYS144D, LYS146D, LYS4C, LYS66D, LYS68D, MET52D, PHE33D, PHE36D, PHE74D, PHE8D, PRO6C, SER73D, SER99D, THR143D, THR163D, THR2C, THR64D, THR80D, TRP133D, TRP147D, TRP167D, TYR113D, TYR116D, TYR118D, TYR123D, TYR159D, TYR171D, TYR1C, TYR22D, TYR45D, TYR59D, TYR5C, TYR7D, TYR84D, TYR85D, VAL165D, VAL25D, VAL28D, VAL34D, VAL76D, VAL97D, VAL9D
• D-E: ALA117D, ALA11D, ALA125D, ALA236D, ALA66E, ARG111D, ARG12E, ARG14D, ARG194D, ARG202D, ARG21D, ARG234D, ARG35D, ARG48D, ARG6D, ARG97E, ASN24E, ASP119D, ASP122D, ASP238D, ASP37D, ASP53E, ASP59E, ASP85E, ASP96E, ASP98E, CYS121D, CYS25E, GLN114D, GLN115D, GLN242D, GLN29E, GLN2E, GLN6E, GLN87D, GLN8E, GLN96D, GLU102D, GLU229D, GLU232D, GLU24D, GLU32D, GLY120D, GLY207D, GLY237D, GLY239D, HIS13E, HIS188D, HIS191D, HIS192D, HIS31E, HIS34E, HIS67E, HIS93D, ILE124D, ILE1E, ILE22E, ILE35E, ILE64E, ILE7E, ILE95D, ILE98D, LEU17D, LEU206D, LEU230D, LEU65E, LYS243D, LYS3E, LYS58E, MET23D, MET54E, MET99E, PHE241D, PHE30E, PHE56E, PHE62E, PHE8D, PRO14E, PRO15E, PRO235D, PRO32E, PRO33E, SER11E, SER13D, SER193D, SER246D, SER52E, SER55E, SER57E, SER61E, SER92D, SER99D, THR10D, THR190D, THR200D, THR233D, THR240D, THR28E, THR94D, TRP204D, TRP244D, TRP60E, TRP95E, TYR10E, TYR113D, TYR116D, TYR118D, TYR123D, TYR26E, TYR27D, TYR63E, TYR7D, VAL12D, VAL231D, VAL25D, VAL27E, VAL97D, VAL9D, VAL9E