3QXD

f54c hla-dr1 bound with clip peptide

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 192
  • Norm. En. per Res.: -5.6549
• 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	-187.9396	-102.0441	-755.211	-1045.1947	201	39	10	27918	8	64	52
A-D	-5.0215	4.2076	-4.8995	-5.7134	16	0	0	367	1	14	19
A-E	-18.5447	-5.8311	-74.143	-98.5188	57	4	2	3575	6	23	19
A-C	-53.2459	0.0	-146.188	-199.4339	54	8	2	5715	0	4	1
B-D	-13.5824	-1.5054	-71.794	-86.8817	51	3	2	3219	2	22	18
B-E	-19.2477	-36.031	-51.776	-107.0547	27	2	0	1811	3	15	21
B-C	-31.4263	18.5741	-194.944	-207.7962	55	7	4	6170	0	5	5
D-E	-221.7795	-107.0333	-756.924	-1085.7368	192	39	10	27438	9	68	53
D-F	-62.8449	-2.9304	-170.196	-235.9713	53	10	4	6324	0	3	1
E-F	-27.0257	16.649	-135.279	-145.6557	56	7	3	4904	0	5	5

Interface residues

• A-B: ALA10A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ARG94B, ASN103A, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP181A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CB6.40323-48.83074, CB9.37913-15.07023, CB9.68771-20.44960, CYS117B, CYS15B, CYS30B, CYS54A, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU101A, GLU11A, GLU141A, GLU14B, GLU21A, GLU28B, GLU30A, GLU35B, GLU36B, GLU47A, GLU4A, GLU4A5, GLU52B, GLU59B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS143A, HIS149A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU11B, LEU138A, LEU144A, LEU14A, LEU158B, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS105B, LYS111A, LYS12B, LYS147A, LYS67A, LYS75A, LYS98B, MET23A, MET73A, PHE108A, PHE112A, PHE122B, PHE12A, PHE137A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO56B, PRO5B, PRO81A, PRO96A, SER104B, SER118B, SER120B, SER126B, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL119B, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91B, VAL95B, VAL97A, VAL99B
• A-D: ARG140A, ARG140D, ASP110D, ASP142A, ASP142D, GLU141D, GLU88A, GLU88D, LEU144A, LEU144D, LYS111A, LYS111D, THR83A, THR90D, VAL85A, VAL85D
• A-E: ALA140E, ARG123A, ARG164A, ARG25E, ARG39E, ASN113E, ASN124A, ASN78A, ASP159A, ASP162A, ASP171A, ASP181A, CYS163A, GLN107E, GLN110E, GLU128E, GLU158A, GLU162E, GLU172A, GLU179A, GLY125A, GLY141E, GLY146E, HIS111E, HIS112E, HIS177A, ILE127E, LEU114E, LEU122A, LEU147E, LEU161E, LEU170A, LEU174A, LEU175A, LYS105E, LYS126A, LYS139E, LYS176A, MET160E, PHE180A, PRO173A, SER104E, SER144E, SER156A, THR145E, THR157A, THR163E, THR80A, TRP178A, TYR161A, VAL129E, VAL142E, VAL143E, VAL159E, VAL160A, VAL164E, VAL44E
• A-C: ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ALA94C, ARG50A, ARG76A, ARG92C, ASN62A, ASN69A, ASP25A, ASP66A, CYS54A, GLN100C, GLN57A, GLN9A, GLU11A, GLU55A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, ILE8A, LEU60A, LEU70A, LEU97C, LEU98C, LYS67A, LYS90C, MET36A, MET73A, MET91C, MET93C, MET99C, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PRO87C, PRO96C, SER53A, SER89C, THR41A, THR74A, THR95C, TRP43A, VAL34A, VAL65A, VAL88C
• B-D: ALA140B, ARG140D, ARG164D, ASN113B, ASN124D, ASP142D, ASP159D, ASP162D, ASP181D, CYS163D, GLN107B, GLN110B, GLN34B, GLU141D, GLU158D, GLU162B, GLU172D, GLU179D, GLU35B, GLY125D, GLY141B, GLY146B, HIS111B, HIS112B, HIS143D, HIS177D, LEU114B, LEU122D, LEU161B, LEU174D, LEU175D, LYS105B, LYS126D, LYS139B, LYS176D, MET160B, PHE180D, PRO108B, PRO173D, SER104B, SER144B, SER156D, THR145B, THR157D, THR163B, TRP178D, TYR161D, VAL142B, VAL143B, VAL160D, VAL164B
• B-E: ALA49B, ALA49E, ALA58E, ARG29E, ARG39E, ARG48B, ARG48E, ARG55B, ARG55E, GLU35B, GLU35E, GLU36B, GLU36E, GLU52B, GLU52E, GLU59B, GLY54B, GLY54E, LEU53B, LEU53E, SER37B, SER37E, THR51B, THR51E, VAL38E, VAL50B, VAL50E
• B-C: ALA58B, ALA74B, ALA94C, ARG71B, ARG80B, ARG92C, ASN62B, ASN82B, ASP57B, ASP76B, CYS15B, CYS30B, CYS79B, GLN100C, GLN64B, GLN70B, GLU28B, GLU59B, GLY54B, GLY84B, GLY86B, HIS81B, LEU11B, LEU26B, LEU53B, LEU67B, LEU68B, LEU97C, LEU98C, LYS12B, LYS90C, MET91C, MET93C, MET99C, PHE13B, PHE40B, PHE89B, PRO56B, PRO87C, PRO96C, SER37B, SER89C, THR77B, THR90B, THR95C, TRP61B, TRP9B, TYR32B, TYR47B, TYR60B, TYR78B, TYR83B, VAL38B, VAL85B, VAL88C
• D-E: ALA10D, ALA52D, ALA58E, ALA68D, ARG140D, ARG146D, ARG23E, ARG25E, ARG29E, ARG39E, ARG44D, ARG4E, ARG50D, ARG55E, ARG6E, ARG76D, ARG80E, ARG93E, ASN103D, ASN150E, ASN15D, ASN19E, ASN33E, ASN62D, ASN69D, ASN78D, ASN82E, ASN84D, ASN94D, ASP142D, ASP152E, ASP17D, ASP181D, ASP25D, ASP27D, ASP29D, ASP2E, ASP57E, ASP66D, CYS117E, CYS15E, CYS30E, CYS54D, CYS79E, GLN10E, GLN149E, GLN156E, GLN18D, GLN34E, GLN92E, GLN9D, GLU11D, GLU134D, GLU141D, GLU14E, GLU21D, GLU22E, GLU28E, GLU30D, GLU35E, GLU36E, GLU46D, GLU47D, GLU4D, GLU52E, GLU71D, GLU87E, GLU98D, GLY121E, GLY125E, GLY151E, GLY20D, GLY20E, GLY28D, GLY49D, GLY54E, GLY84E, GLY86E, HIS143D, HIS149D, HIS16E, HIS5D, HIS81E, ILE106D, ILE148E, ILE31D, ILE31E, ILE63D, ILE72D, ILE7D, ILE82D, ILE8D, LEU11E, LEU138D, LEU144D, LEU14D, LEU158E, LEU26E, LEU27E, LEU45D, LEU53E, LEU70D, LEU8E, LEU92D, LYS105E, LYS111D, LYS12E, LYS147D, LYS67D, LYS75D, LYS98E, MET23D, MET73D, PHE108D, PHE112D, PHE12D, PHE137D, PHE13E, PHE145D, PHE148D, PHE155E, PHE17E, PHE18E, PHE22D, PHE24D, PHE26D, PHE32D, PHE48D, PHE51D, PHE7E, PHE89E, PRO114D, PRO115D, PRO124E, PRO139D, PRO16D, PRO56E, PRO5E, PRO81D, PRO96D, SER118E, SER120E, SER126E, SER133D, SER19D, SER37E, SER53D, SER77D, SER88E, SER95D, THR100E, THR113D, THR135D, THR154E, THR157E, THR21E, THR3E, THR74D, THR80D, THR83D, THR90D, THR90E, THR93D, TRP153E, TRP168D, TRP43D, TRP61E, TRP9E, TYR102E, TYR123E, TYR13D, TYR150D, TYR32E, TYR60E, TYR78E, TYR79D, TYR83E, VAL104D, VAL116D, VAL116E, VAL119E, VAL24E, VAL38E, VAL50E, VAL65D, VAL6D, VAL85D, VAL85E, VAL91E, VAL95E, VAL97D, VAL99E
• D-F: ALA52D, ALA56D, ALA59D, ALA61D, ALA64D, ALA68D, ALA94F, ARG50D, ARG76D, ARG92F, ASN62D, ASN69D, ASP25D, ASP66D, CYS54D, GLN100F, GLN57D, GLN9D, GLU11D, GLU55D, GLY49D, GLY58D, ILE31D, ILE63D, ILE72D, ILE7D, LEU60D, LEU70D, LEU97F, LEU98F, LYS67D, LYS75D, LYS90F, MET73D, MET91F, MET93F, MET99F, PHE22D, PHE24D, PHE26D, PHE32D, PHE48D, PHE51D, PRO87F, PRO96F, SER53D, SER89F, THR41D, THR95F, TRP43D, VAL34D, VAL65D, VAL88F
• E-F: ALA58E, ALA74E, ALA94F, ARG71E, ARG80E, ARG92F, ASN62E, ASN82E, ASP57E, ASP76E, CYS15E, CYS30E, CYS79E, GLN100F, GLN64E, GLN70E, GLU28E, GLU87E, GLY54E, GLY84E, GLY86E, HIS81E, ILE31E, LEU11E, LEU26E, LEU53E, LEU67E, LEU68E, LEU97F, LEU98F, LYS12E, LYS90F, MET91F, MET93F, MET99F, PHE13E, PHE40E, PHE89E, PRO56E, PRO87F, PRO96F, SER37E, SER89F, THR77E, THR90E, THR95F, TRP61E, TRP9E, TYR32E, TYR47E, TYR60E, TYR78E, TYR83E, VAL38E, VAL85E, VAL88F