1WCQ

mutagenesis of the nucleophilic tyrosine in a bacterial sialidase to phenylalanine.

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 65
  • Norm. En. per Res.: -0.8998
• 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-C	-8.1826	-6.9146	-43.3891	-58.4863	65	2	0	2511	0	9	9
B-C	-4.9031	4.775	-63.4601	-63.5882	72	1	0	3366	2	12	6

Interface residues

• A-C: ALA426C, ALA444A, ALA463C, ALA473A, ALA599A, ALA616A, ARG270C, ARG461C, ARG602A, ARG611A, ASN429C, ASP268C, ASP291C, ASP352C, ASP353C, ASP443A, ASP447A, GLN355C, GLN430C, GLN441A, GLN449A, GLN462C, GLU252C, GLU644A, GLY292C, GLY293C, GLY297C, GLY460C, GLY474A, GLY601A, HIS217C, HIS294C, LEU442A, LYS329C, PHE408C, PHE614A, PRO216C, PRO298C, PRO407C, PRO417A, PRO446A, PRO459C, PRO472A, PRO477A, PRO615A, SER289C, SER295C, SER445A, SER565A, SER600A, THR290C, THR356C, THR409C, THR428C, THR475A, THR476A, TRP448A, TYR296C, TYR583A, VAL288C, VAL427C, VAL450A, VAL471A, VAL598A, VAL613A
• B-C: ALA444C, ALA473B, ALA581C, ALA608C, ALA612C, ALA616B, ARG342C, ARG508B, ARG571C, ARG602C, ARG611C, ARG617B, ARG620B, ARG647B, ASP443C, ASP447C, ASP582C, ASP595B, ASP618B, GLN344C, GLN364C, GLN419B, GLN420B, GLN449B, GLN451B, GLN579C, GLN610C, GLN630C, GLN646B, GLU416B, GLY366C, GLY418B, GLY474B, GLY559B, GLY560B, GLY596B, GLY601C, HIS562B, ILE469B, LEU415B, LEU589B, LEU607C, MET368C, PHE603C, PHE614B, PRO365C, PRO417B, PRO446C, PRO472B, PRO609C, PRO615B, SER338C, SER341C, SER343C, SER367C, SER445C, SER600C, SER606C, THR340C, THR468B, THR470B, THR476C, THR561B, THR563B, THR587B, THR604C, THR605C, TYR583C, VAL362C, VAL421B, VAL471B, VAL598B