3GLE

crystal structure of the major pilin from streptococcus pyogenes n168a mutant

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 60
  • Norm. En. per Res.: -2.0265
• Hub Node: A(1)

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	-28.6983	-15.1874	-77.7047	-121.5905	60	3	0	3788	1	29	22
B-C	-18.1298	-3.7417	-39.609	-61.4806	67	2	0	2730	3	25	20

Interface residues

• A-B: ALA200A, ALA200B, ALA206B, ALA227B, ALA73A, ASN193B, ASN201A, ASN201B, ASN49A, ASN49B, ASN75A, ASN85B, ASP121A, ASP230B, ASP259B, ASP51A, GLN202A, GLN202B, GLN231B, GLU118A, GLU208B, GLU226B, GLU264B, GLU57A, HIS234B, ILE120A, ILE212B, ILE229B, ILE56A, LEU232B, LEU74A, LYS119A, LYS199A, LYS205B, LYS209B, LYS55A, LYS80A, MET78A, PHE194B, PHE235B, PHE52A, PHE54A, PRO58A, PRO77A, SER207B, SER228B, SER86B, THR225B, THR50A, THR53A, THR60A, THR76A, THR79A, THR82A, THR84B, TYR203A, TYR233B, VAL123A, VAL210B, VAL72A
• B-C: ALA206C, ALA278B, ALA283B, ALA96C, ASN269B, ASN281B, ASN49C, ASN75C, ASP276B, ASP294B, ASP51C, ASP87C, ASP99C, GLN145C, GLN202C, GLN231C, GLN275B, GLN289B, GLU102C, GLU208C, GLU288B, GLU290B, GLU97C, GLY183B, GLY277B, GLY284B, GLY90C, ILE282B, LYS122B, LYS147C, LYS205C, LYS209C, LYS280B, LYS295B, LYS304B, LYS305B, LYS31C, LYS80C, LYS94C, MET297B, PHE307B, PRO274B, SER101C, SER182B, SER207C, SER228C, SER273B, SER86C, SER91C, THR184B, THR267B, THR268B, THR291B, THR293B, THR33C, THR50C, THR76C, THR79C, THR82C, THR84C, THR93C, THR95C, TYR83C, VAL272B, VAL279B, VAL306B, VAL81C