2CHO

bacteroides thetaiotaomicron hexosaminidase with o- glcnacase activity

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -4.5675
• 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	-125.0453	-125.4673	-261.052	-511.5645	112	17	3	10178	15	90	62
A-C	-35.2095	0.0	-62.4578	-97.6673	41	16	0	3910	0	0	0
B-D	-45.0199	0.0	-66.5291	-111.549	41	17	0	4029	0	0	0

Interface residues

• A-B: ALA414A, ALA414B, ALA479A, ALA479B, ALA533A, ALA533B, ALA637A, ALA637B, ARG474A, ARG474B, ARG519A, ARG519B, ARG526A, ARG526B, ASN485A, ASN485B, ASN529A, ASN529B, ASP480A, ASP480B, ASP636A, ASP636B, GLN469A, GLN469B, GLN535A, GLN535B, GLN536A, GLN536B, GLN537A, GLN537B, GLU416A, GLU416B, GLU417A, GLU417B, GLU473A, GLU473B, GLU477A, GLU477B, GLU507A, GLU507B, GLU510A, GLU510B, GLU511A, GLU511B, HIS500A, HIS500B, HIS530A, HIS530B, ILE481A, ILE481B, ILE541A, ILE541B, LEU482A, LEU482B, LEU483A, LEU483B, LEU504A, LEU504B, LEU525A, LEU525B, LEU534A, LEU534B, LYS476A, LYS476B, LYS489A, LYS489B, LYS503A, LYS503B, LYS514A, LYS514B, LYS527A, LYS527B, LYS532A, LYS532B, MET475A, MET475B, MET484A, MET484B, MET508A, MET508B, MET538A, MET538B, PHE472B, PHE539A, PHE539B, PRO592A, PRO592B, SER413B, SER478A, SER478B, SER522A, SER522B, THR471A, THR471B, THR486A, THR486B, THR496B, TYR470A, TYR470B, TYR523A, TYR523B, TYR528A, TYR528B, TYR540A, TYR540B, TYR590A, TYR590B, TYR639B, VAL499A, VAL499B, VAL531A, VAL531B
• A-C: ALA682A, ALA687A, ARG679A, ARG693A, ASN647A, GLN645A, GLU632A, GLU634A, GLY641A, GLY683A, ILE633A, ILE638A, ILE644A, ILE646A, LEU635A, LEU680A, LEU684A, LEU711A, LYS690A, PHE648A, PHE691A, PHE694A, PHE709A, PRO688A, SER681A, UNK888C, UNK889C, UNK890C, UNK891C, UNK899C, UNK900C, UNK901C, UNK902C, UNK903C, UNK904C, UNK905C, UNK906C, UNK907C, VAL631A, VAL689A, VAL692A
• B-D: ALA682B, ALA687B, ARG679B, ARG693B, ASN643B, ASN647B, GLN645B, GLU632B, GLU634B, GLY641B, GLY683B, ILE633B, ILE638B, ILE644B, ILE646B, LEU680B, LEU684B, LEU711B, LYS690B, PHE648B, PHE691B, PHE694B, PHE709B, PRO688B, SER681B, UNK888D, UNK889D, UNK890D, UNK891D, UNK899D, UNK900D, UNK901D, UNK902D, UNK903D, UNK904D, UNK905D, UNK906D, UNK907D, VAL631B, VAL689B, VAL692B