1MHC

model of mhc class i h2-m3 with nonapeptide from rat nd1 refined at 2.3 angstroms resolution

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 124
  • Norm. En. per Res.: -4.1433
• 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	-46.011	-86.2451	-355.026	-487.2821	123	6	1	12295	4	40	34
A-C	-18.4214	0.0	-188.689	-207.1104	69	15	11	8473	0	0	0
A-D	0.0	-20.5822	-25.6308	-46.213	21	0	0	1241	0	6	7
A-E	-9.2628	-73.9006	-74.7915	-157.955	47	5	0	3096	7	29	22
B-D	0.0	13.4363	-8.4564	4.9799	13	1	0	357	0	10	11
D-E	-63.2276	-91.0829	-359.463	-513.7734	124	6	1	12000	5	39	34
D-F	-23.5517	0.0	-209.621	-233.1727	71	35	13	9220	0	0	0

Interface residues

• A-B: ALA116A, ALA117A, ALA11A, ALA190A, ALA246A, ALA66B, ARG12B, ARG14A, ARG202A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASP119A, ASP122A, ASP212A, ASP238A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, CYS36A, GLN115A, GLN21A, GLN242A, GLN29B, GLN2B, GLN32A, GLN34A, GLN6B, GLN8B, GLN96A, GLU19A, GLU229A, GLU232A, GLU46A, GLY120A, GLY16A, GLY207A, GLY237A, GLY239A, GLY26A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, HIS9A, ILE124A, ILE1B, ILE22B, ILE23A, ILE35B, ILE64B, ILE7B, ILE94A, LEU206A, LEU230A, LEU65B, LEU95A, LYS186A, LYS243A, LYS3B, LYS58B, MET51B, MET54B, MET98A, MET99B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15A, PRO15B, PRO20A, PRO235A, PRO32B, PRO33B, SER11B, SER121A, SER13A, SER236A, SER24A, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR125A, THR200A, THR233A, THR240A, THR28B, TRP204A, TRP244A, TRP60B, TRP95B, TRP97A, TYR10B, TYR114A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL27B, VAL99A, VAL9B
• A-C: ALA116A, ALA117A, ALA11A, ALA150A, ALA153A, ALA158A, ALA71A, ALA74A, ALA76A, ARG146A, ARG157A, ARG75A, ARG79A, ARG83A, ASN5C, ASN69A, ASN77A, CYS164A, GLN115A, GLN141A, GLN72A, GLN96A, GLU154A, GLU163A, HIS9A, ILE124A, ILE142A, ILE4C, ILE6C, ILE70A, LEU126A, LEU147A, LEU63A, LEU78A, LEU7C, LEU81A, LEU82A, LEU95A, LEU9C, LYS144A, LYS66A, MET138A, MET98A, PHE156A, PHE3C, SER140A, SER145A, SER24A, SER73A, THR143A, THR152A, THR80A, THR8C, TRP133A, TRP97A, TYR114A, TYR118A, TYR123A, TYR155A, TYR159A, TYR22A, TYR2C, TYR7A, TYR84A, TYR85A, VAL139A, VAL160A, VAL67A, VAL99A
• A-D: ARG14A, ARG14D, ARG17A, ARG17D, ARG35D, GLU19A, GLU19D, GLY16A, GLY16D, GLY18A, GLY18D, GLY90A, GLY91A, ILE39D, ILE94A, PRO15A, PRO15D, PRO20D, SER92A, SER92D, VAL12A
• A-E: ALA76A, ALA88E, ARG14A, ARG17A, ARG75A, ARG79A, ARG81E, ARG83A, ASP85E, GLN21A, GLN2E, GLN38E, GLN72A, GLU36E, GLU40A, GLU41A, GLU89A, GLU89E, GLY16A, GLY43E, GLY90A, GLY91A, HIS34E, HIS84E, ILE35E, ILE37E, ILE39A, ILE42A, ILE64E, LEU40E, LEU82A, LYS44E, LYS45E, LYS68A, LYS83E, MET51E, MET54E, MET87E, PRO15A, PRO32E, PRO33E, PRO47E, PRO90E, SER13A, SER86E, SER88A, THR80A
• B-D: ALA88B, ARG14D, ARG17D, ARG79D, ASP85B, GLN2B, GLU36B, GLU40D, GLY90D, HIS34B, ILE35B, PRO32B, PRO33B
• D-E: ALA116D, ALA117D, ALA11D, ALA190D, ALA246D, ALA66E, ARG12E, ARG17D, ARG202D, ARG234D, ARG35D, ARG48D, ARG6D, ARG97E, ASN21E, ASN24E, ASP119D, ASP122D, ASP238D, ASP30D, ASP37D, ASP53E, ASP59E, ASP96E, ASP98E, CYS25E, CYS36D, GLN115D, GLN242D, GLN29E, GLN2E, GLN32D, GLN34D, GLN6E, GLN8E, GLN96D, GLU19D, GLU229D, GLU232D, GLU46D, GLY120D, GLY16D, GLY207D, GLY237D, GLY239D, GLY26D, HIS113D, HIS13E, HIS188D, HIS191D, HIS192D, HIS31E, HIS34E, HIS67E, HIS93D, HIS9D, ILE124D, ILE1E, ILE22E, ILE23D, ILE35E, ILE64E, ILE7E, ILE94D, LEU206D, LEU230D, LEU65E, LEU95D, LYS186D, LYS243D, LYS3E, LYS58E, MET51E, MET54E, MET98D, MET99E, PHE241D, PHE30E, PHE56E, PHE62E, PHE8D, PRO14E, PRO15D, PRO15E, PRO193D, PRO20D, PRO235D, PRO32E, PRO33E, PRO47D, SER11E, SER121D, SER236D, SER24D, SER52E, SER55E, SER57E, SER61E, SER92D, THR10D, THR125D, THR200D, THR233D, THR240D, THR28E, TRP204D, TRP244D, TRP60E, TRP95E, TRP97D, TYR10E, TYR114D, TYR118D, TYR123D, TYR26E, TYR27D, TYR63E, TYR7D, VAL12D, VAL231D, VAL25D, VAL27E, VAL99D, VAL9E
• D-F: ALA116D, ALA117D, ALA11D, ALA150D, ALA153D, ALA158D, ALA71D, ALA74D, ALA76D, ARG146D, ARG157D, ARG75D, ARG79D, ARG83D, ASN5F, ASN69D, ASN77D, ASP137D, GLN115D, GLN141D, GLN72D, GLN96D, GLU154D, GLU163D, HIS113D, HIS9D, ILE124D, ILE142D, ILE4F, ILE6F, ILE70D, LEU126D, LEU147D, LEU63D, LEU78D, LEU7F, LEU81D, LEU82D, LEU95D, LEU9F, LYS144D, LYS66D, MET138D, MET98D, PHE156D, PHE3F, SER100D, SER140D, SER145D, SER24D, SER73D, THR143D, THR152D, THR80D, THR8F, TRP133D, TRP97D, TYR114D, TYR118D, TYR123D, TYR155D, TYR159D, TYR22D, TYR2F, TYR7D, TYR84D, TYR85D, VAL139D, VAL160D, VAL67D, VAL99D