1YMM

tcr/hla-dr2b/mbp-peptide complex

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 53
  • Norm. En. per Res.: -4.8735
• 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	-123.6289	-92.1998	-693.199	-909.0277	196	63	12	27877	8	73	59
A-C	-100.8159	0.0	-157.48	-258.2959	53	23	8	6155	0	6	1
A-D	0.0	0.0	-8.4861	-8.4861	7	1	0	215	0	1	0
A-E	0.0	-12.4186	-27.9276	-40.3462	35	8	1	2137	0	5	6
B-C	-30.9054	7.9245	-163.81	-186.7909	60	16	4	6258	0	7	7
B-D	0.0	-29.3997	-80.3772	-109.7769	45	7	0	3094	2	14	16
B-E	-2.6352	0.0	-12.0871	-14.7223	18	0	1	593	0	0	4
C-D	-11.1131	0.0	-34.2857	-45.3988	20	3	1	1376	0	3	3
C-E	-5.6038	-13.8795	-75.4282	-94.9115	32	1	2	2754	0	6	3
D-E	-31.413	-4.6155	-180.193	-216.2215	84	27	3	8241	0	8	11

Interface residues

• A-B: ALA10A, ALA182A, ALA52A, ALA58B, ALA64A, ALA68A, ARG13B, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG76A, ARG80B, ARG93B, ARG94B, ASN103A, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP181A, ASP25A, ASP27A, ASP28B, ASP29A, ASP57B, ASP66A, CYS15B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU141A, GLU14B, GLU21A, GLU30A, GLU35B, GLU36B, GLU3A, GLU47A, GLU4A, GLU52B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, HIS143A, HIS149A, HIS167A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE31A, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU114B, LEU138A, LEU144A, LEU14A, LEU158B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS12B, LYS147A, LYS2A, LYS67A, LYS75A, LYS98B, MET160B, MET23A, MET73A, PHE108A, PHE112A, PHE12A, PHE137A, PHE145A, PHE148A, PHE155B, PHE17B, PHE18B, PHE22A, PHE24A, PHE26A, PHE26B, PHE31B, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO11B, PRO124B, PRO139A, PRO16A, PRO178B, PRO183A, PRO56B, PRO5B, PRO81A, PRO96A, SER104B, SER118B, SER120B, SER126B, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR30B, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL119B, VAL24B, VAL38B, VAL65A, VAL6A, VAL85A, VAL85B, VAL86B, VAL91B, VAL95B, VAL97A, VAL99B
• A-C: ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN62A, ASN69A, ASN86C, ASN94C, ASP66A, GLN57A, GLN9A, GLU11A, GLU47A, GLU55A, GLU71A, GLU85C, GLY49A, GLY58A, HIS90C, ILE31A, ILE63A, ILE72A, ILE7A, ILE95C, LEU60A, LEU70A, LYS67A, LYS93C, MET73A, PHE12A, PHE22A, PHE24A, PHE32A, PHE48A, PHE51A, PHE54A, PHE91C, PHE92C, PRO87C, PRO98C, SER53A, THR74A, THR97C, TRP43A, TYR13A, VAL65A, VAL88C, VAL89C, VAL96C
• A-D: GLU55A, GLY58A, GLY96D, PHE54A, SER53A, THR97D, TYR98D
• A-E: ALA103E, ALA30E, ALA56A, ALA59A, ALA61A, ALA64A, ARG97E, ASN51E, ASN62A, ASP98E, GLN29E, GLN57A, GLN9A, GLU40A, GLU52E, GLU55A, GLY102E, GLY53E, GLY58A, ILE63A, LEU60A, LEU74E, LEU99E, LYS39A, LYS55E, PHE34E, PHE54A, SER101E, SER53A, SER73E, THR100E, THR31E, THR32E, THR49E, VAL65A
• B-C: ALA58B, ALA71B, ALA73B, ALA74B, ARG13B, ARG29B, ARG55B, ARG72B, ASN62B, ASN82B, ASN86C, ASN94C, ASP28B, ASP57B, ASP66B, CYS15B, CYS79B, GLN64B, GLN70B, GLU14B, GLU59B, GLY54B, GLY84B, HIS81B, HIS90C, ILE67B, ILE95C, LEU27B, LEU53B, LEU68B, LYS12B, LYS93C, PHE26B, PHE40B, PHE47B, PHE89B, PHE91C, PHE92C, PRO11B, PRO56B, PRO87C, PRO98C, SER37B, SER63B, SER88B, THR77B, THR97C, TRP61B, TRP9B, TYR30B, TYR60B, TYR78B, TYR83B, VAL38B, VAL75B, VAL85B, VAL86B, VAL88C, VAL89C, VAL96C
• B-D: ALA71B, ALA73B, ALA74B, ARG50D, ARG54D, ARG72B, ARG80B, ASN30D, ASN31D, ASN52D, ASN82B, ASP66B, ASP76B, ASP92D, CYS79B, GLN70B, GLU55D, GLU69B, GLU87B, GLY84B, GLY96D, HIS57D, HIS81B, ILE29D, ILE47D, ILE49D, ILE67B, LEU32D, LEU48D, LEU68B, LYS56D, LYS65B, SER51D, SER95D, THR21B, THR77B, THR93D, THR94D, THR97D, TYR78B, TYR83B, TYR98D, VAL75B, VAL85B, VAL86B
• B-E: ALA103E, ALA71B, ALA73B, ALA74B, ASN104E, ASN105E, ASN82B, ASP66B, CYS79B, GLN70B, GLU106E, GLU69B, GLY102E, HIS81B, SER101E, THR100E, THR77B, TYR78B
• C-D: ARG50D, ASN30D, ASN31D, ASN86C, ASP92D, GLU85C, GLY96D, HIS90C, LYS99D, PHE91C, PHE92C, PRO87C, SER95D, THR93D, THR94D, THR97D, TYR100D, TYR98D, VAL88C, VAL89C
• C-E: ALA103E, ALA56E, ARG97E, ASN104E, ASN105E, ASN51E, ASN86C, ASN94C, ASP98E, GLN107E, GLU106E, GLU59E, GLU85C, GLY102E, GLY1E, HIS90C, LEU99E, LYS55E, LYS93C, PHE108E, PHE91C, PHE92C, PRO87C, SER101E, THR100E, THR31E, THR32E, THR49E, THR57E, TYR58E, VAL88C, VAL89C
• D-E: ALA103E, ALA48E, ALA90D, ALA96E, ARG114E, ARG41D, ARG50D, ARG97E, ASN104E, ASN105E, ASN30D, ASN31D, ASN38D, ASN51E, ASP92D, ASP98E, CYS23D, CYS89D, CYS94E, GLN107E, GLN179E, GLN33D, GLN37D, GLN38E, GLN42E, GLN60E, GLN6E, GLU106E, GLU59E, GLY102E, GLY103D, GLY110E, GLY112E, GLY40D, GLY42D, GLY61E, GLY96D, HIS45D, ILE101D, ILE93E, LEU43D, LEU44E, LEU46E, LEU48D, LEU99E, LYS41E, LYS55E, LYS99D, MET33E, MET45E, MET47E, PHE102D, PHE108E, PHE109E, PHE34E, PHE39E, PHE88D, PHE91E, PRO111E, PRO178E, PRO40E, SER101E, SER39D, SER43E, SER86D, SER95E, THR104D, THR113E, THR31E, THR32E, THR49E, THR91D, THR93D, THR97D, TRP10E, TYR100D, TYR35D, TYR36E, TYR58E, TYR87D, TYR92E, TYR98D, VAL44D, VAL4E