3LK6

beta-n-hexosaminidase n318d mutant (ybbd_n318d) from bacillus subtilis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 42
  • Norm. En. per Res.: -3.7249
• 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	-61.0243	-40.4005	-197.382	-298.8067	127	16	1	8756	8	61	38
A-D	-23.8302	-73.3492	-59.2683	-156.4477	42	8	0	2733	12	28	29
B-C	-12.7688	-20.0272	-144.806	-177.602	102	12	0	6957	0	19	28
B-D	0.0	0.0	-0.0408	-0.0408	3	0	0	17	0	2	0
C-D	-58.1915	-46.5539	-196.384	-301.1294	126	20	1	8734	7	60	38

Interface residues

• A-B: ALA549A, ALA550A, ALA574A, ALA576A, ARG148A, ARG150A, ARG197A, ARG202A, ARG246A, ARG640A, ASN181A, ASN182B, ASN185B, ASN196A, ASN440A, ASN519B, ASN524B, ASN554A, ASN625A, ASP184B, ASP230B, ASP232B, ASP286B, ASP289B, ASP520B, ASP525B, ASP529B, ASP530B, ASP534B, ASP616A, GLN272B, GLN442A, GLN552A, GLU198A, GLU245A, GLU249A, GLU441A, GLU499B, GLU572A, GLU573A, GLY236B, GLY287B, GLY624A, GLY624B, GLY631A, GLY633A, GLY639A, HIS234B, HIS328B, HIS443A, HIS553A, ILE179A, ILE290B, ILE528B, ILE532B, ILE617A, LEU199A, LEU203A, LEU237B, LEU239B, LEU285B, LEU291B, LEU551A, LEU613A, LEU627A, LEU630A, LEU634A, LEU642A, LYS282B, LYS323B, LYS439A, LYS497B, LYS518B, LYS537B, LYS548A, LYS555A, LYS575A, MET547A, PHE496B, PHE571A, PRO183B, PRO238B, PRO274B, PRO521B, PRO614A, PRO618B, PRO623B, PRO629A, PRO641A, SER149A, SER194A, SER195A, SER201A, SER233B, SER241B, SER283B, SER288B, SER493B, SER533B, SER535B, SER536B, SER619B, THR200A, THR280B, THR498B, THR531B, THR612A, THR626A, THR638A, TRP538B, TYR235B, TYR253A, TYR281B, TYR461B, TYR628A, TYR632A, VAL231B, VAL240B, VAL250A, VAL495B, VAL522B, VAL523B, VAL527A, VAL527B, VAL541B, VAL615A, VAL620B
• A-D: ALA507A, ALA507D, ARG454A, ARG454D, ASP508A, ASP508D, GLN503A, GLN503D, GLU469A, GLU469D, GLU506A, GLU506D, GLY452A, GLY452D, ILE455A, ILE455D, LEU486A, LEU486D, LYS450A, LYS450D, LYS451A, LYS451D, LYS488A, LYS488D, LYS502A, LYS502D, LYS505A, LYS505D, LYS555A, LYS555D, PRO483A, PRO483D, SER453A, SER453D, SER485A, SER485D, SER487A, SER487D, TYR509A, TYR509D, VAL484A, VAL484D
• B-C: ALA28C, ALA32B, ALA32C, ALA341B, ALA341C, ALA35B, ALA35C, ARG248B, ARG248C, ARG306B, ARG306C, ARG31B, ARG31C, ARG388B, ARG388C, ARG41B, ARG41C, ASN312B, ASN312C, ASN36B, ASN36C, ASN383B, ASN383C, ASN384B, ASN384C, ASN40B, ASN40C, ASP277C, ASP344C, ASP34B, ASP34C, GLN244C, GLN307B, GLN307C, GLN37B, GLN37C, GLN380B, GLN380C, GLN381B, GLN381C, GLU308B, GLU308C, GLU379B, GLU379C, GLU387B, GLU387C, GLY303B, GLY303C, GLY310B, GLY310C, GLY375B, GLY375C, ILE33B, ILE33C, ILE382B, ILE382C, ILE389B, ILE389C, ILE38B, ILE38C, LEU304B, LEU304C, LEU305B, LEU305C, LEU44B, LEU44C, LYS298B, LYS298C, LYS299B, LYS299C, LYS30C, LYS373B, LYS47B, LYS47C, MET301B, MET301C, MET309B, MET309C, MET42B, MET42C, PHE276B, PHE276C, PHE311B, PHE311C, PRO378B, PRO378C, SER297C, SER29C, SER385B, SER385C, SER391B, SER391C, SER43B, SER43C, THR302B, THR302C, VAL300C, VAL372B, VAL386B, VAL386C, VAL39B, VAL39C
• B-D: ASP289B, LYS282B, LYS505D
• C-D: ALA549C, ALA550C, ALA574C, ALA576C, ARG148C, ARG150C, ARG197C, ARG202C, ARG246C, ARG640C, ASN181C, ASN182D, ASN185D, ASN196C, ASN440C, ASN519D, ASN524D, ASN554C, ASN625C, ASP184D, ASP230D, ASP232D, ASP286D, ASP289D, ASP520D, ASP525D, ASP529D, ASP530D, ASP534D, ASP616C, GLN272D, GLN442C, GLN552C, GLU198C, GLU245C, GLU249C, GLU441C, GLU499D, GLU572C, GLU573C, GLY236D, GLY287D, GLY624C, GLY624D, GLY631C, GLY633C, GLY639C, HIS234D, HIS328D, HIS443C, HIS553C, ILE179C, ILE290D, ILE528D, ILE532D, ILE617C, LEU199C, LEU203C, LEU237D, LEU239D, LEU285D, LEU291D, LEU551C, LEU613C, LEU627C, LEU630C, LEU634C, LEU642C, LYS282D, LYS323D, LYS439C, LYS497D, LYS518D, LYS537D, LYS548C, LYS555C, LYS575C, MET547C, PHE496D, PHE571C, PRO183D, PRO238D, PRO274D, PRO521D, PRO614C, PRO618D, PRO623D, PRO629C, PRO641C, SER149C, SER194C, SER195C, SER201C, SER233D, SER241D, SER283D, SER288D, SER493D, SER533D, SER535D, SER536D, SER619D, THR200C, THR280D, THR498D, THR531D, THR612C, THR626C, THR638C, TRP538D, TYR235D, TYR253C, TYR281D, TYR461D, TYR628C, TYR632C, VAL231D, VAL240D, VAL250C, VAL495D, VAL522D, VAL523D, VAL527C, VAL527D, VAL541D, VAL615C