3B2M

crystal structure of the major pilin from streptococcus pyogenes

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 30
  • Norm. En. per Res.: -1.0756
• Hub Node: A(2)

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	0.0	24.9735	-33.2056	-8.2321	62	1	0	2104	0	22	22
A-C	0.0	-10.5626	-21.7045	-32.2671	30	0	0	900	2	7	6
B-C	-10.0098	-2.4779	-13.7145	-26.2022	45	1	0	1109	1	13	12

Interface residues

• A-B: ALA200B, ALA278A, ARG188A, ASN193B, ASN201B, ASN281A, ASN285B, ASN42A, ASP121B, ASP171A, ASP230B, ASP253B, ASP259B, ASP260B, ASP276A, ASP294A, ASP296A, GLN202B, GLN231B, GLN275A, GLN289B, GLU258B, GLU271A, GLU288B, GLY183A, GLY195B, GLY240A, GLY277A, GLY284B, HIS234B, ILE282B, LEU232B, LYS167A, LYS178A, LYS180A, LYS199B, LYS244A, LYS262B, LYS265B, LYS295A, LYS304A, PHE194B, PHE301B, PRO274A, SER127A, SER169A, SER172A, SER182A, SER263B, SER273A, SER286B, THR184A, THR197B, THR257B, THR287B, THR298A, THR300A, TYR203B, VAL255B, VAL256B, VAL279A, VAL41A
• A-C: ALA221A, ASN28C, ASN37C, ASN92C, ASP87C, GLN146C, GLN165A, GLN220A, GLU143C, GLU144C, GLY218A, GLY219A, GLY89C, GLY90C, LEU40C, LYS157A, LYS161A, LYS167A, LYS217A, LYS88C, PRO163A, PRO222A, SER160A, SER43A, SER43C, SER91C, THR215A, THR216A, THR93C, VAL162A
• B-C: ALA278B, ALA283B, ALA96C, ASN269B, ASN281B, ASN49C, ASP276B, ASP51C, ASP87C, ASP99C, GLN145C, GLN231C, GLN275B, GLU102C, GLU97C, GLY183B, GLY277B, LYS119B, LYS122B, LYS147C, LYS205C, LYS209C, LYS280B, LYS295B, LYS304B, LYS31C, LYS80C, LYS94C, PHE307B, PRO274B, SER101C, SER228C, SER86C, THR130B, THR267B, THR293B, THR50C, THR79C, THR82C, THR84C, THR95C, TYR83C, VAL279B, VAL306B, VAL81C