3PWV

an immmunodominant ctl epitope from rinderpest virus presented by cattle mhc class i molecule n*01801 (bola-a11)

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -3.9114
• 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	-53.9112	-67.2267	-387.345	-508.4829	130	11	2	13520	2	39	35
A-C	-53.097	0.0	-259.556	-312.653	81	17	6	10268	0	0	0
A-D	-24.9425	-73.3416	-120.011	-218.2951	87	15	0	5236	5	30	40
A-E	-8.8025	3.7346	-12.8022	-17.8701	13	0	0	475	0	5	3
B-D	-15.9603	-2.7681	-12.8089	-31.5373	16	1	0	669	0	8	3
D-E	-55.1163	-69.3479	-364.26	-488.7242	129	22	2	13321	1	38	34
D-F	-33.2027	0.0	-253.185	-286.3877	84	23	6	10339	0	0	0

Interface residues

• A-B: ALA10A, ALA116A, ALA124A, ALA23A, ALA245A, ARG120A, ARG12B, ARG13A, ARG201A, ARG20A, ARG233A, ARG34A, ARG3B, ARG47A, ARG5A, ARG96B, ASN21B, ASN24B, ASP118A, ASP121A, ASP237A, ASP29A, ASP36A, ASP52B, ASP58B, ASP95B, ASP97B, CYS25B, GLN114A, GLN241A, GLN2B, GLN31A, GLN34B, GLN50B, GLN86A, GLN8B, GLN95A, GLU210A, GLU228A, GLU231A, GLU45A, GLU49B, GLU96A, GLY119A, GLY206A, GLY236A, GLY238A, GLY25A, GLY29B, GLY90A, HIS13B, HIS187A, HIS190A, HIS191A, HIS31B, HIS66B, HIS92A, ILE123A, ILE1B, ILE22A, ILE35B, ILE7B, LEU110A, LEU16A, LEU205A, LEU229A, LEU53B, LEU63B, LEU64B, LEU98B, LYS185A, LYS242A, LYS57B, LYS6B, MET113A, MET97A, PHE112A, PHE115A, PHE21A, PHE240A, PHE30B, PHE35A, PHE55B, PHE61B, PHE73A, PHE7A, PHE94A, PRO14A, PRO14B, PRO15B, PRO234A, PRO32B, PRO33B, SER11B, SER12A, SER235A, SER51B, SER54B, SER56B, SER60B, SER65B, SER91A, THR189A, THR199A, THR232A, THR239A, THR33A, THR93A, THR9A, TRP203A, TRP243A, TRP59B, TRP94B, TYR101A, TYR10B, TYR117A, TYR122A, TYR22B, TYR26A, TYR26B, TYR28B, TYR62B, TYR6A, TYR8A, TYR98A, VAL11A, VAL230A, VAL24A, VAL27B, VAL9B
• A-C: ALA116A, ALA138A, ALA139A, ALA149A, ALA152A, ALA23A, ALA3C, ALA70A, ALA75A, ALA80A, ARG154A, ARG162A, ARG169A, ARG61A, ARG64A, ASN62A, ASN76A, ASN78A, ASP44A, ASP68A, CYS163A, GLN155A, GLN71A, GLU151A, GLU165A, GLU54A, GLU96A, GLY150A, GLY161A, GLY166A, GLY25A, GLY5C, GLY82A, GLY99A, ILE123A, ILE141A, ILE1C, ILE65A, ILE72A, ILE9C, LEU125A, LEU159A, LEU167A, LEU4A, LEU77A, LEU7C, LEU81A, LYS143A, LYS145A, MET113A, MET51A, PHE115A, PHE21A, PHE32A, PHE35A, PHE73A, PHE94A, PRO2C, THR142A, THR33A, THR63A, THR69A, THR79A, THR8C, TRP132A, TRP146A, TRP59A, TYR117A, TYR122A, TYR158A, TYR170A, TYR4C, TYR58A, TYR66A, TYR6A, TYR83A, TYR84A, TYR8A, TYR98A, VAL164A, VAL6C
• A-D: ALA134A, ALA134D, ALA135A, ALA135D, ALA138A, ALA138D, ALA139A, ALA139D, ALA80A, ALA80D, ARG120A, ARG120D, ARG196A, ARG196D, ARG255A, ARG255D, ASN85A, ASN85D, ASP118A, ASP118D, ASP121A, ASP121D, ASP136A, ASP136D, ASP195A, ASP195D, ASP226D, GLN140A, GLN140D, GLN223D, GLN254D, GLN86A, GLN86D, GLU197A, GLU197D, GLU219A, GLU219D, GLU252A, GLU252D, GLU253D, GLY119A, GLY119D, GLY251A, GLY251D, GLY90A, HIS218A, HIS218D, HIS92A, HIS92D, ILE193A, ILE193D, LEU246D, LEU81A, LEU81D, LYS143A, LYS143D, PRO249A, PRO249D, SER194A, SER194D, SER250A, SER250D, SER87A, SER87D, SER91A, SER91D, THR133A, THR133D, THR137A, THR137D, THR199D, THR93A, THR93D, TYR117A, TYR117D, TYR122D, TYR256A, TYR256D, TYR83D, TYR84A, TYR84D, VAL198A, VAL198D, VAL247A, VAL247D, VAL248A, VAL248D
• A-E: ARG196A, ARG3E, ASP226A, ASP58E, GLN225A, GLN2E, GLU197A, HIS31E, ILE193A, ILE1E, PRO249A, SER194A, VAL247A
• B-D: ARG196D, ARG3B, ASP226D, ASP58B, GLN225D, GLN2B, GLU197D, HIS31B, ILE193D, ILE1B, LYS6B, PRO249D, PRO32B, SER194D, VAL247D, VAL248D
• D-E: ALA10D, ALA116D, ALA124D, ALA23D, ALA245D, ARG120D, ARG12E, ARG13D, ARG201D, ARG20D, ARG233D, ARG34D, ARG3E, ARG47D, ARG5D, ARG96E, ASN21E, ASN24E, ASP118D, ASP121D, ASP237D, ASP29D, ASP36D, ASP52E, ASP58E, ASP95E, ASP97E, CYS25E, GLN114D, GLN241D, GLN2E, GLN31D, GLN34E, GLN50E, GLN86D, GLN8E, GLN95D, GLU210D, GLU228D, GLU231D, GLU45D, GLU49E, GLU96D, GLY119D, GLY206D, GLY236D, GLY238D, GLY25D, GLY29E, GLY90D, HIS13E, HIS187D, HIS190D, HIS191D, HIS31E, HIS66E, HIS92D, ILE123D, ILE1E, ILE22D, ILE35E, ILE7E, LEU110D, LEU16D, LEU205D, LEU229D, LEU53E, LEU63E, LEU64E, LEU98E, LYS185D, LYS242D, LYS57E, LYS6E, MET113D, MET97D, PHE112D, PHE115D, PHE21D, PHE240D, PHE30E, PHE35D, PHE55E, PHE61E, PHE73D, PHE7D, PHE94D, PRO14D, PRO14E, PRO15E, PRO234D, PRO32E, PRO33E, SER11E, SER12D, SER235D, SER51E, SER54E, SER56E, SER60E, SER91D, THR189D, THR199D, THR232D, THR239D, THR33D, THR93D, THR9D, TRP203D, TRP243D, TRP59E, TRP94E, TYR101D, TYR10E, TYR117D, TYR122D, TYR22E, TYR26D, TYR26E, TYR28E, TYR62E, TYR6D, TYR8D, TYR98D, VAL11D, VAL230D, VAL24D, VAL27E, VAL9E
• D-F: ALA116D, ALA138D, ALA139D, ALA148D, ALA149D, ALA152D, ALA23D, ALA3F, ALA75D, ALA80D, ARG144D, ARG154D, ARG162D, ARG169D, ARG61D, ARG64D, ARG74D, ASN62D, ASN76D, ASN78D, ASP44D, ASP60D, ASP68D, CYS163D, GLN155D, GLN71D, GLU147D, GLU151D, GLU165D, GLU54D, GLU96D, GLY150D, GLY166D, GLY25D, GLY5F, GLY82D, GLY99D, ILE123D, ILE141D, ILE1F, ILE65D, ILE72D, ILE9F, LEU159D, LEU167D, LEU4D, LEU77D, LEU7F, LEU81D, LYS143D, LYS145D, MET113D, MET51D, PHE115D, PHE21D, PHE32D, PHE35D, PHE73D, PHE94D, PRO2F, THR142D, THR33D, THR63D, THR69D, THR79D, THR8F, TRP132D, TRP146D, TRP59D, TYR117D, TYR122D, TYR158D, TYR170D, TYR4F, TYR58D, TYR66D, TYR6D, TYR83D, TYR84D, TYR8D, TYR98D, VAL164D, VAL27D, VAL6F