2OJE

mycoplasma arthritidis-derived mitogen complexed with class ii mhc molecule hla-dr1/ha complex in the presence of edta

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 194
  • Norm. En. per Res.: -5.4176
• Hub Node: A(3)

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	-184.7236	-75.6547	-731.1	-991.4783	193	44	10	27484	7	70	61
A-C	-53.359	-12.3813	-183.06	-248.8004	53	10	4	6734	1	11	6
A-D	-43.9858	-55.2901	-166.719	-265.9949	76	12	9	7814	4	28	29
B-C	-48.9405	0.5739	-194.874	-243.2406	63	15	3	6870	0	8	6
B-D	0.0	-8.4602	-23.2578	-31.7179	20	1	0	1158	1	9	6
C-D	-22.0687	-0.8021	-65.4322	-88.303	31	11	1	2894	0	3	12
D-H	0.0	15.8018	-153.797	-137.9952	91	16	1	7814	0	56	62
E-F	-192.7686	-106.4949	-751.745	-1051.0085	194	39	10	27504	7	69	61
E-G	-63.9113	-2.2301	-167.97	-234.1114	51	18	4	6342	0	11	6
E-H	-63.1481	-44.3221	-162.578	-270.0482	76	8	9	7701	4	28	28
F-G	-43.5461	-1.2167	-194.331	-239.0938	61	15	3	6868	0	7	7
F-H	0.0	-11.9323	-26.1754	-38.1077	22	2	0	1292	1	7	6
G-H	-16.4839	-0.8075	-68.043	-85.3345	28	7	1	2719	0	3	12

Interface residues

• A-B: ALA10A, ALA49B, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ARG94B, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CYS15B, CYS30B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU101A, GLU11A, GLU141A, GLU14B, GLU166A, GLU21A, GLU22B, GLU28B, GLU30A, GLU35B, GLU36B, GLU3A, GLU47A, GLU4A, GLU52B, GLU59B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY1B, 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, LYS111A, LYS12B, LYS147A, LYS2A, LYS67A, LYS75A, LYS98B, PHE108A, PHE112A, PHE12A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO56B, PRO5B, PRO81A, PRO96A, SER118B, SER120B, SER133A, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, 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-C: ALA317C, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN312C, ASN62A, ASN69A, ASP25A, ASP66A, GLN311C, GLN57A, GLN9A, GLU11A, GLU55A, GLU71A, GLY49A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU314C, LEU316C, LEU60A, LEU70A, LYS307C, LYS310C, LYS315C, LYS67A, LYS75A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PRO306C, SER53A, THR313C, THR318C, THR41A, THR74A, TRP43A, TYR308C, VAL309C, VAL34A, VAL65A
• A-D: ALA105D, ALA112D, ALA114D, ALA37A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG102D, ARG91D, ASN103D, ASN116D, ASN15A, ASN18D, ASN62A, ASN69A, ASN77D, ASN96D, ASP108D, ASP117D, ASP17A, ASP35A, ASP66A, ASP88D, GLN12D, GLN18A, GLN57A, GLN90D, GLN99D, GLU109D, GLU40A, GLU55A, GLU71A, GLU74D, GLU93D, GLU98D, GLY20A, GLY58A, HIS14D, ILE106D, ILE110D, ILE63A, ILE72A, LEU107D, LEU14A, LEU19D, LEU60A, LEU81D, LEU83D, LYS113D, LYS13D, LYS38A, LYS39A, LYS67A, LYS82D, LYS92D, LYS9D, MET111D, MET78D, MET79D, PHE15D, PHE24D, PHE55D, PHE80D, PHE87D, PRO16A, SER19A, SER84D, THR89D, TYR13A, VAL16D, VAL22D, VAL65A, VAL85D, VAL86D
• B-C: ALA317C, ALA58B, ALA73B, ALA74B, ARG55B, ARG71B, ARG72B, ASN312C, ASN62B, ASN82B, ASP57B, ASP76B, CYS15B, CYS30B, CYS79B, GLN311C, GLN64B, GLN70B, GLU14B, GLU28B, GLU59B, GLU87B, GLY54B, GLY84B, GLY86B, HIS81B, ILE31B, LEU11B, LEU26B, LEU314C, LEU316C, LEU53B, LEU67B, LEU68B, LYS12B, LYS307C, LYS310C, LYS315C, PHE13B, PHE40B, PHE89B, PRO306C, PRO56B, SER37B, SER88B, THR313C, THR318C, THR77B, THR90B, TRP153B, TRP61B, TRP9B, TYR308C, TYR32B, TYR47B, TYR60B, TYR78B, TYR83B, VAL309C, VAL38B, VAL75B, VAL85B, VAL91B
• B-D: ARG71B, ASN18D, ASP66B, GLN12D, GLN17D, GLN64B, GLN70B, HIS14D, LEU67B, LEU68B, LYS10D, LYS13D, LYS65B, PHE15D, SER63B, THR77B, TRP61B, TYR47B, TYR60B, VAL16D
• C-D: ALA11D, ALA317C, ASN18D, ASN20D, ASN21D, ASN312C, ASN77D, GLN12D, GLN17D, GLN311C, GLU74D, HIS14D, LEU19D, LEU314C, LEU316C, LEU81D, LYS10D, LYS113D, LYS13D, LYS307C, LYS310C, LYS315C, LYS82D, LYS9D, MET78D, PHE15D, THR313C, THR318C, VAL16D, VAL22D, VAL309C
• D-H: ALA105H, ALA112H, ALA114H, ALA159D, ALA59H, ARG154D, ARG192D, ARG192H, ARG4H, ARG57H, ASN116H, ASN26H, ASN53H, ASP108H, ASP115H, ASP152D, ASP155D, ASP197D, ASP197H, ASP213D, GLN54H, GLU109H, GLU141D, GLU157D, GLU195D, GLU195H, GLU199D, GLU199H, GLU212D, GLU30H, GLU43H, GLY148D, GLY156D, GLY196D, GLY196H, GLY61H, HIS58H, ILE104H, ILE110H, ILE144D, ILE190D, ILE198D, ILE198H, ILE62H, LEU107H, LEU146D, LEU151D, LEU153D, LEU189D, LEU189H, LEU200D, LEU200H, LEU45H, LEU47H, LEU50H, LYS101H, LYS113H, LYS140D, LYS143D, LYS145D, LYS147D, LYS191D, LYS191H, LYS201D, LYS201H, LYS208H, LYS2H, LYS42H, LYS46H, LYS49H, LYS51H, MET111H, MET142D, PHE211D, PHE48H, PHE55H, SER204H, THR202H, THR203H, TYR188D, TYR188H, TYR193D, TYR193H, TYR194D, TYR33H, TYR56H, VAL158D, VAL187D, VAL44H, VAL52H, VAL5H
• E-F: ALA10E, ALA52E, ALA58F, ALA68E, ARG140E, ARG146E, ARG23F, ARG25F, ARG29F, ARG39F, ARG44E, ARG4F, ARG50E, ARG55F, ARG6F, ARG71F, ARG76E, ARG80F, ARG93F, ARG94F, ASN103E, ASN150F, ASN15E, ASN19F, ASN33F, ASN62E, ASN69E, ASN78E, ASN82F, ASN84E, ASN94E, ASP142E, ASP152F, ASP17E, ASP25E, ASP27E, ASP29E, ASP2F, ASP57F, ASP66E, CYS107E, CYS117F, CYS15F, CYS30F, CYS79F, GLN10F, GLN149F, GLN156F, GLN18E, GLN34F, GLN92F, GLN9E, GLU101E, GLU11E, GLU141E, GLU14F, GLU166E, GLU21E, GLU22F, GLU28F, GLU30E, GLU35F, GLU36F, GLU3E, GLU47E, GLU4E, GLU52F, GLU59F, GLU71E, GLU87F, GLU98E, GLY121F, GLY125F, GLY151F, GLY1F, GLY20E, GLY20F, GLY28E, GLY49E, GLY54F, GLY84F, GLY86F, HIS143E, HIS149E, HIS16F, HIS5E, HIS81F, ILE106E, ILE148F, ILE31E, ILE31F, ILE63E, ILE72E, ILE7E, ILE82E, ILE8E, LEU11F, LEU138E, LEU144E, LEU14E, LEU158F, LEU26F, LEU27F, LEU45E, LEU53F, LEU70E, LEU8F, LEU92E, LYS111E, LYS12F, LYS147E, LYS2E, LYS67E, LYS75E, LYS98F, PHE108E, PHE112E, PHE12E, PHE13F, PHE145E, PHE148E, PHE155F, PHE17F, PHE18F, PHE22E, PHE24E, PHE26E, PHE32E, PHE48E, PHE51E, PHE54E, PHE7F, PHE89F, PRO114E, PRO115E, PRO124F, PRO139E, PRO16E, PRO56F, PRO5F, PRO81E, PRO96E, SER118F, SER120F, SER19E, SER37F, SER53E, SER77E, SER88F, SER95E, THR100F, THR113E, THR135E, THR145F, THR154F, THR157F, THR21F, THR3F, THR74E, THR80E, THR83E, THR90E, THR90F, THR93E, TRP153F, TRP168E, TRP43E, TRP61F, TRP9F, TYR102F, TYR123F, TYR13E, TYR150E, TYR32F, TYR60F, TYR78F, TYR79E, TYR83F, VAL101F, VAL104E, VAL116E, VAL116F, VAL119F, VAL24F, VAL38F, VAL50F, VAL65E, VAL6E, VAL85E, VAL85F, VAL91F, VAL95F, VAL97E, VAL99F
• E-G: ALA317G, ALA52E, ALA56E, ALA59E, ALA61E, ALA64E, ALA68E, ARG50E, ARG76E, ASN312G, ASN62E, ASN69E, ASP66E, GLN311G, GLN57E, GLN9E, GLU11E, GLU55E, GLU71E, GLY49E, GLY58E, ILE31E, ILE63E, ILE72E, ILE7E, LEU314G, LEU316G, LEU60E, LEU70E, LYS307G, LYS310G, LYS315G, LYS67E, PHE22E, PHE24E, PHE26E, PHE32E, PHE48E, PHE51E, PHE54E, PRO306G, SER53E, THR313G, THR318G, THR41E, THR74E, TRP43E, TYR308G, VAL309G, VAL34E, VAL65E
• E-H: ALA105H, ALA112H, ALA114H, ALA37E, ALA56E, ALA59E, ALA61E, ALA64E, ALA68E, ARG102H, ARG91H, ASN103H, ASN116H, ASN15E, ASN18H, ASN62E, ASN69E, ASN77H, ASN96H, ASP108H, ASP117H, ASP17E, ASP35E, ASP66E, ASP88H, GLN12H, GLN18E, GLN57E, GLN90H, GLN99H, GLU109H, GLU40E, GLU55E, GLU71E, GLU74H, GLU93H, GLU98H, GLY20E, GLY58E, HIS14H, ILE106H, ILE110H, ILE63E, ILE72E, LEU107H, LEU14E, LEU19H, LEU60E, LEU81H, LEU83H, LYS113H, LYS13H, LYS38E, LYS39E, LYS67E, LYS82H, LYS92H, LYS9H, MET111H, MET78H, MET79H, PHE15H, PHE24H, PHE55H, PHE80H, PHE87H, PRO16E, SER19E, SER84H, THR89H, TYR13E, VAL16H, VAL22H, VAL65E, VAL85H, VAL86H
• F-G: ALA317G, ALA58F, ALA73F, ALA74F, ARG55F, ARG71F, ARG72F, ASN312G, ASN62F, ASN82F, ASP57F, ASP76F, CYS15F, CYS30F, CYS79F, GLN311G, GLN64F, GLN70F, GLU14F, GLU28F, GLU59F, GLU87F, GLY54F, GLY84F, GLY86F, HIS81F, LEU11F, LEU26F, LEU314G, LEU316G, LEU53F, LEU67F, LEU68F, LYS12F, LYS307G, LYS310G, LYS315G, PHE13F, PHE40F, PHE89F, PRO306G, PRO56F, SER37F, SER88F, THR313G, THR318G, THR77F, THR90F, TRP153F, TRP61F, TRP9F, TYR308G, TYR32F, TYR47F, TYR60F, TYR78F, TYR83F, VAL309G, VAL38F, VAL75F, VAL85F
• F-H: ALA74F, ARG71F, ASN18H, ASP66F, GLN12H, GLN17H, GLN64F, GLN70F, HIS14H, LEU67F, LEU68F, LYS10H, LYS13H, LYS65F, PHE15H, SER63F, THR77F, TRP61F, TYR47F, TYR60F, TYR78F, VAL16H
• G-H: ALA11H, ALA317G, ASN18H, ASN20H, ASN312G, ASN77H, ASP117H, GLN12H, GLN17H, GLN311G, GLU74H, HIS14H, LEU19H, LEU314G, LEU316G, LEU81H, LYS10H, LYS113H, LYS13H, LYS310G, LYS315G, LYS82H, MET78H, PHE15H, THR313G, THR318G, VAL16H, VAL309G