3OLR

ptpn22 in complex with consensus phospho-tyrosine peptide 1

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 37
  • Norm. En. per Res.: -2.6331
• 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	-30.0723	-12.975	-204.056	-247.1033	102	14	1	9487	6	47	37
A-C	-16.3877	-12.4547	-45.7444	-74.5868	29	9	0	2167	2	19	21
A-E	-16.4889	16.9223	-77.7153	-77.2819	37	14	0	3590	0	25	8
B-E	0.0	0.0	-0.3126	-0.3126	4	0	0	72	0	0	0
B-F	-6.7502	21.0742	-78.1554	-63.8314	32	10	0	2956	0	26	6
C-D	-5.9257	-14.468	-206.87	-227.2637	106	7	1	9570	6	45	39
C-G	-12.381	12.0244	-97.0672	-97.4238	37	12	0	3433	0	21	6
C-H	0.0	0.0	-4.6752	-4.6752	4	0	0	231	0	0	0
D-H	-13.4004	15.7833	-98.1568	-95.7739	41	16	1	3576	0	25	6

Interface residues

• A-B: ALA-2A, ALA14A, ALA40A, ALA98B, ARG115B, ARG263A, ARG263B, ARG33A, ARG70B, ASN255A, ASN255B, ASN26A, ASP12A, ASP218B, ASP219B, ASP249B, ASP41A, ASP41B, ASP67B, GLN15A, GLN268B, GLN34A, GLN34B, GLN3B, GLU119B, GLU13A, GLU217B, GLU22A, GLU23A, GLU254A, GLU254B, GLU264B, GLU27A, GLU5A, GLU72B, GLY250B, GLY92B, GLY95B, ILE19A, ILE251B, ILE252B, ILE76B, ILE90B, LEU246B, LEU261B, LEU29A, LEU31A, LEU73B, LEU75B, LYS17A, LYS18A, LYS21A, LYS248B, LYS30A, LYS32A, LYS37A, LYS42B, LYS91B, LYS97B, LYS9A, MET-3A, MET1A, MET245B, MET265B, PHE10A, PHE178B, PHE24A, PHE256B, PHE259A, PHE28A, PHE89B, PRO253B, PRO45B, PRO96B, SER-1A, SER16A, SER257A, SER260A, SER260B, SER35A, SER69B, SER74B, SER78B, SER83B, THR20A, THR243B, THR267B, THR36A, THR43B, THR77B, TRP118B, TYR120B, TYR242B, TYR279A, TYR38A, TYR38B, TYR44B, TYR66B, TYR68B, TYR94B, VAL71B, VAL93B
• A-C: ALA162A, ARG165A, ARG4C, ASN192A, ASP12C, ASP168A, ASP2C, GLN15C, GLN293C, GLN3C, GLN8C, GLU13C, GLU163A, GLU207A, GLU5C, ILE170A, ILE171A, ILE6C, LEU11C, LEU7C, LYS164A, LYS166A, LYS291C, LYS9C, MET1C, MET294C, PHE10C, SER167A, TYR169A
• A-E: ALA229A, ARG233A, ARG59A, ASN58A, ASP395E, ASP396E, ASP62A, CYS139A, CYS231A, GLN274A, GLN278A, GLU133A, GLU140A, GLU277A, GLU392E, GLU393E, GLY232A, GLY391E, ILE55A, ILE63A, LEU106A, LEU397E, LYS136A, LYS137A, LYS138A, LYS32A, LYS56A, LYS61A, MET134A, PHE28A, SER107A, SER228A, SER271A, THR275A, TYR390E, TYR398E, TYR60A
• B-E: ASP395E, ASP396E, LEU397E, MET-3B
• B-F: ALA229B, ARG59B, ASN58B, ASP395F, ASP396F, ASP62B, CYS139B, CYS231B, GLN103B, GLN274B, GLU140B, GLU392F, GLU393F, GLY104B, GLY391F, ILE55B, ILE63B, LEU106B, LEU397F, LYS136B, LYS137B, LYS138B, LYS32B, LYS56B, LYS61B, MET134B, SER107B, SER228B, SER271B, THR275B, TYR390F, TYR60B
• C-D: ALA-2D, ALA14D, ALA40D, ALA98C, ARG115C, ARG263C, ARG263D, ARG266C, ARG33D, ARG70C, ASN179C, ASN255C, ASN255D, ASN26D, ASP12D, ASP218C, ASP219C, ASP249C, ASP41C, ASP41D, ASP67C, ASP81C, GLN15D, GLN268C, GLN34C, GLN34D, GLU119C, GLU13D, GLU217C, GLU22D, GLU23D, GLU254C, GLU254D, GLU264C, GLU27D, GLU5D, GLU72C, GLY250C, GLY92C, GLY95C, ILE19D, ILE251C, ILE252C, ILE76C, LEU246C, LEU261C, LEU29D, LEU31D, LEU73C, LEU75C, LYS17D, LYS18D, LYS21D, LYS248C, LYS30D, LYS32D, LYS37C, LYS37D, LYS42C, LYS91C, LYS97C, LYS9D, MET-3D, MET1D, MET245C, MET265C, PHE10D, PHE156C, PHE178C, PHE24D, PHE256C, PHE256D, PHE259D, PHE89C, PRO155C, PRO253C, PRO45C, PRO96C, SER-1D, SER16D, SER220C, SER257D, SER260C, SER260D, SER35D, SER69C, SER74C, SER83C, THR20D, THR243C, THR267C, THR36D, THR43C, THR77C, TRP118C, TYR120C, TYR242C, TYR279D, TYR38C, TYR38D, TYR44C, TYR66C, TYR68C, TYR94C, VAL71C, VAL93C
• C-G: ALA229C, ARG233C, ARG59C, ASN58C, ASP395G, ASP396G, ASP62C, CYS139C, CYS231C, GLN274C, GLN278C, GLU131C, GLU133C, GLU140C, GLU392G, GLU393G, GLY232C, GLY391G, ILE55C, ILE63C, LEU106C, LEU397G, LYS136C, LYS137C, LYS138C, LYS32C, LYS56C, LYS61C, MET134C, PHE28C, SER107C, SER228C, SER271C, THR275C, TYR390G, TYR398G, TYR60C
• C-H: ASP395H, ASP396H, LEU397H, MET-3C
• D-H: ALA229D, ARG233D, ARG59D, ASN58D, ASP395H, ASP396H, ASP62D, CYS139D, CYS231D, GLN103D, GLN274D, GLN276D, GLN278D, GLU131D, GLU133D, GLU140D, GLU277D, GLU392H, GLU393H, GLY104D, GLY232D, GLY391H, ILE55D, ILE63D, LEU106D, LEU397H, LYS136D, LYS137D, LYS138D, LYS32D, LYS56D, LYS61D, MET134D, PHE28D, SER107D, SER228D, SER271D, THR275D, TYR390H, TYR398H, TYR60D