1ZVS

crystal structure of the first class mhc mamu and tat-tl8 complex

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 123
  • Norm. En. per Res.: -3.8338
• 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	-36.5319	-90.7064	-334.299	-461.5373	123	8	2	11786	2	47	38
A-C	-30.21	2.1814	-222.464	-250.4926	80	21	2	8356	0	5	6
A-D	-19.8066	-18.7046	-66.5774	-105.0885	64	17	0	4387	1	21	24
A-E	-22.9614	-36.5557	-94.5391	-154.0562	47	13	0	3974	2	11	25
B-D	0.0	0.0	-0.0092	-0.0092	2	0	0	10	0	0	3
B-E	-5.2146	8.321	-30.1832	-27.0768	23	1	0	1408	0	11	7
D-E	-48.6137	-85.2851	-337.655	-471.5537	123	10	3	11977	1	47	40
D-F	-55.011	2.3843	-186.074	-238.7007	79	28	3	7973	0	5	7

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG111A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG97A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU114A, GLU229A, GLU232A, GLU46A, GLU50B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY29B, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, ILE7B, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LEU95A, LYS121A, LYS186A, LYS243A, LYS58B, LYS6A, LYS6B, MET12A, MET98A, MET99B, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, SER11A, SER11B, SER13A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL99A, VAL9B
• A-C: ALA117A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA6C, ALA74A, ARG170A, ARG62A, ARG65A, ARG83A, ARG97A, ASN142A, ASN66A, ASN73A, ASN77A, ASN7C, CYS164A, GLN144A, GLN163A, GLN72A, GLN96A, GLU114A, GLU166A, GLU4C, GLU55A, GLU63A, GLU70A, GLY100A, GLY26A, ILE124A, LEU160A, LEU168A, LEU78A, LEU81A, LEU82A, LEU8C, LEU95A, LYS146A, LYS68A, MET156A, MET45A, MET5A, MET67A, MET98A, PHE22A, PHE33A, PHE36A, PHE8A, PRO3C, SER155A, SER5C, THR143A, THR1C, THR2C, THR64A, THR69A, THR71A, THR80A, TRP133A, TRP147A, TRP167A, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR84A, TYR85A, TYR9A, VAL152A, VAL25A, VAL28A, VAL34A, VAL76A, VAL99A
• A-D: ALA135D, ALA136D, ALA139D, ALA140D, ALA90D, ARG181A, ARG234D, ARG83D, ASN86D, ASP119D, ASP137D, ASP183A, ASP238A, GLN141D, GLN180A, GLN87D, GLU177A, GLU229D, GLU232D, GLU264A, GLU89D, GLY120D, GLY1A, GLY207A, GLY265A, GLY91D, HIS263A, HIS270A, HIS277A, HIS278A, HIS3A, HIS93D, LEU179A, LEU230D, LEU266A, LEU272A, LEU82D, LYS121D, LYS176A, LYS186A, LYS243D, LYS268A, PRO184A, PRO185A, PRO210A, PRO267A, PRO269A, SER88D, SER92D, THR178A, THR182A, THR187A, THR228D, THR233D, THR240A, THR271A, TRP244D, TYR118D, TYR123D, TYR209A, TYR84D, TYR85D, VAL138D, VAL231D
• A-E: ALA205A, ARG3E, ASP59E, GLN2E, GLN8E, GLU275A, GLY29E, HIS188A, HIS191A, HIS192A, HIS270A, HIS277A, HIS278A, HIS31E, HIS84E, ILE1E, ILE7E, LEU206A, LEU266A, LEU272A, LEU87E, LYS186A, LYS273A, LYS6E, LYS91E, PHE30E, PRO184A, PRO185A, PRO276A, PRO32E, PRO5E, SER28E, SER61E, SER88E, THR187A, THR190A, THR271A, THR4E, THR86E, TRP204A, TRP274A, TYR26E, VAL189A, VAL261A, VAL27E, VAL85E, VAL93E
• B-D: ARG17D, LYS19B
• B-E: ALA15B, ARG97B, ASN17B, ASN83E, ASP96B, ASP98B, GLN2E, GLN89E, GLU16B, GLU36E, GLU74B, HIS13B, HIS84E, LEU87E, LYS19B, MET99B, PRO14B, PRO72B, PRO90E, SER88E, THR86E, TRP95B, VAL85E
• D-E: ALA117D, ALA125D, ALA236D, ALA246D, ALA24D, ALA40D, ARG12E, ARG14D, ARG17D, ARG202D, ARG21D, ARG234D, ARG35D, ARG3E, ARG48D, ARG97D, ARG97E, ASN24E, ASP119D, ASP122D, ASP238D, ASP30D, ASP34E, ASP37D, ASP53E, ASP59E, ASP96E, ASP98E, CYS25E, GLN115D, GLN242D, GLN2E, GLN32D, GLN8E, GLN96D, GLU114D, GLU212D, GLU229D, GLU232D, GLU46D, GLU50E, GLY120D, GLY207D, GLY237D, GLY239D, GLY26D, GLY29E, HIS13E, HIS188D, HIS192D, HIS31E, HIS51E, HIS93D, ILE124D, ILE1E, ILE23D, ILE35E, ILE7E, LEU206D, LEU230D, LEU54E, LEU64E, LEU65E, LEU95D, LYS121D, LYS186D, LYS243D, LYS58E, LYS6D, LYS6E, MET12D, MET98D, MET99E, PHE22D, PHE22E, PHE241D, PHE30E, PHE36D, PHE56E, PHE62E, PHE8D, PRO14E, PRO235D, PRO32E, PRO47D, SER11D, SER11E, SER13D, SER28E, SER33E, SER52E, SER55E, SER57E, SER61E, SER92D, THR10D, THR190D, THR200D, THR233D, THR240D, THR94D, TRP204D, TRP244D, TRP60E, TRP95E, TYR10E, TYR113D, TYR116D, TYR118D, TYR123D, TYR26E, TYR27D, TYR63E, TYR66E, TYR67E, TYR7D, TYR9D, VAL231D, VAL25D, VAL27E, VAL34D, VAL99D, VAL9E
• D-F: ALA117D, ALA139D, ALA140D, ALA150D, ALA24D, ALA6F, ALA74D, ARG170D, ARG62D, ARG65D, ARG83D, ARG97D, ASN142D, ASN66D, ASN73D, ASN77D, ASN7F, CYS164D, GLN115D, GLN144D, GLN163D, GLN72D, GLN96D, GLU114D, GLU166D, GLU4F, GLU63D, GLU70D, GLY100D, GLY26D, ILE124D, LEU160D, LEU168D, LEU78D, LEU81D, LEU8F, LEU95D, LYS146D, LYS68D, LYS6D, MET156D, MET45D, MET5D, MET67D, MET98D, PHE22D, PHE33D, PHE36D, PHE8D, PRO3F, SER155D, SER5F, THR143D, THR1F, THR2F, THR64D, THR69D, THR80D, TRP133D, TRP147D, TRP167D, TYR113D, TYR116D, TYR118D, TYR123D, TYR159D, TYR171D, TYR59D, TYR7D, TYR84D, TYR85D, TYR9D, VAL152D, VAL25D, VAL28D, VAL34D, VAL52D, VAL76D, VAL99D