1O7A

human beta-hexosaminidase b

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -4.009
• Hub Node: A(4)

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	-56.89	10.5691	-439.611	-485.9319	122	8	11	14725	6	14	16
A-C	-46.2012	-55.7675	-123.568	-225.5367	112	6	0	6409	8	18	18
A-D	-25.4056	0.0	-143.117	-168.5226	48	4	6	4745	0	4	5
A-E	0.0	-8.4004	-4.0355	-12.4358	27	0	0	578	0	15	10
B-C	-26.2686	0.0	-143.793	-170.0616	51	4	6	4793	0	5	9
B-D	-19.7033	-61.7045	-107.752	-189.1598	110	5	0	5858	8	19	17
B-E	-10.4559	-29.2226	-27.9908	-67.6693	28	1	0	948	4	11	6
C-D	-52.383	8.6957	-441.407	-485.0943	121	11	11	14773	6	13	14
C-F	0.0	-1.8423	-0.0124	-1.8547	2	0	0	7	0	4	3

Interface residues

• A-B: ALA495A, ALA495B, ALA542A, ALA542B, ALA543A, ALA543B, ALA548A, ALA548B, ARG211A, ARG211B, ARG461A, ARG461B, ARG501A, ARG501B, ARG505A, ARG505B, ARG533A, ARG533B, ASN497A, ASN497B, ASN552A, ASN552B, ASP208A, ASP208B, ASP241B, ASP452A, ASP452B, ASP459A, ASP459B, ASP494A, ASP494B, CYS534A, CYS534B, CYS551A, CYS551B, GLN242A, GLN242B, GLN458A, GLN458B, GLN544A, GLN544B, GLU491A, GLU491B, GLY457A, GLY457B, GLY490A, GLY490B, GLY549A, GLY549B, HIS212A, HIS212B, HIS264A, HIS264B, HIS553A, HIS553B, ILE454A, ILE454B, ILE541A, ILE541B, LEU214A, LEU214B, LEU451A, LEU451B, LEU453A, LEU453B, LEU488A, LEU488B, LEU498A, LEU498B, LEU546A, LEU546B, PRO215A, PRO500A, PRO500B, PRO504A, PRO504B, PRO545A, PRO545B, SER210A, SER210B, SER243A, SER243B, SER259A, SER259B, SER261A, SER261B, SER263A, SER263B, SER455A, SER455B, THR496A, THR496B, THR499A, THR499B, THR530A, THR530B, TRP460A, TRP460B, TRP489A, TRP489B, TRP503A, TRP503B, TYR213A, TYR213B, TYR260A, TYR260B, TYR450A, TYR450B, TYR456A, TYR456B, TYR492A, TYR492B, TYR526A, TYR526B, TYR547A, TYR547B, TYR550A, TYR550B, VAL493A, VAL493B, VAL537A, VAL537B
• A-C: ALA73A, ARG100A, ARG100C, ARG272A, ARG272C, ARG279A, ARG279C, ARG281C, ARG99A, ARG99C, ASN256A, ASN256C, ASN269A, ASN269C, ASN76A, ASN76C, ASP138A, ASP138C, ASP270A, ASP270C, CYS91A, CYS91C, GLN126C, GLN247A, GLN247C, GLU253A, GLU253C, GLU276A, GLU276C, GLU75A, GLU75C, GLU95A, GLU95C, GLU96A, GLU96C, GLY103A, GLY103C, GLY88A, GLY88C, HIS102A, HIS102C, HIS264A, HIS264C, HIS81A, HIS81C, ILE249A, ILE249C, ILE79A, ILE79C, LEU262A, LEU262C, LEU280A, LEU280C, LEU93A, LEU93C, LYS217A, LYS217C, LYS257A, LYS257C, MET273A, MET273C, PHE106A, PHE251A, PHE251C, PHE77A, PHE77C, PHE98A, PHE98C, PRO215A, PRO215C, PRO245A, PRO252A, PRO252C, PRO268A, PRO268C, PRO74A, PRO74C, PRO89A, PRO89C, SER248A, SER248C, SER259A, SER261A, SER261C, SER263A, SER263C, SER80A, SER80C, SER90A, SER90C, THR250A, THR250C, THR267A, THR267C, THR92A, THR92C, TYR213A, TYR213C, TYR260A, TYR260C, TYR266A, TYR266C, TYR277A, TYR277C, TYR78A, TYR78C, VAL216A, VAL216C, VAL265A, VAL265C, VAL271A, VAL271C
• A-D: ALA73A, ALA73D, ASN552A, ASN552D, ASN76A, ASN76D, ASP182A, ASP182D, CYS551A, GLN123A, GLN123D, GLN125A, GLN125D, GLN181A, GLN181D, GLU75A, GLU75D, GLY185A, GLY185D, HIS553A, HIS71A, HIS71D, LEU70A, LEU70D, LEU72A, LEU72D, PHE106A, PHE106D, PHE187A, PHE187D, PHE77A, PHE77D, PRO74A, PRO74D, SER183A, SER183D, THR122A, THR122D, THR186A, THR186D, THR188A, THR188D, TYR184A, TYR184D, TYR550A, TYR550D, VAL124A, VAL124D
• A-E: ALA428A, ARG372E, ARG461A, ASP426A, ASP459A, GLN368E, GLN458A, GLU362E, GLY377E, GLY457A, LEU316E, LEU453A, LYS359E, LYS462A, LYS465A, PRO430A, PRO448A, SER311E, SER318E, SER363E, SER427A, SER455A, THR378E, TYR310E, TYR429A, TYR456A, VAL466A
• B-C: ALA73B, ALA73C, ASN552B, ASN552C, ASN76B, ASN76C, ASP182B, ASP182C, CYS551B, CYS551C, GLN123B, GLN123C, GLN125B, GLN125C, GLN181B, GLN181C, GLU75B, GLU75C, GLY107B, GLY185B, GLY185C, HIS553B, HIS553C, HIS71B, HIS71C, LEU70B, LEU70C, LEU72B, LEU72C, PHE106B, PHE106C, PHE187B, PHE187C, PHE77B, PHE77C, PRO74B, PRO74C, SER183B, SER183C, THR122B, THR122C, THR186B, THR186C, THR188B, THR188C, TYR184B, TYR184C, TYR550B, TYR550C, VAL124B, VAL124C
• B-D: ALA97D, ARG100B, ARG100D, ARG272B, ARG272D, ARG279B, ARG279D, ARG99B, ARG99D, ASN256B, ASN256D, ASN269B, ASN269D, ASN76B, ASN76D, ASP138B, ASP138D, ASP270B, ASP270D, CYS91B, CYS91D, GLN126D, GLN247B, GLN247D, GLU253B, GLU276B, GLU276D, GLU75B, GLU75D, GLU95B, GLU95D, GLU96B, GLU96D, GLY103B, GLY103D, GLY107B, GLY88B, GLY88D, HIS102B, HIS102D, HIS264B, HIS264D, HIS81B, HIS81D, ILE249B, ILE249D, ILE79B, ILE79D, LEU262B, LEU262D, LEU280B, LEU280D, LEU93B, LEU93D, LYS217B, LYS217D, LYS257B, LYS257D, MET273B, MET273D, PHE251B, PHE251D, PHE77B, PHE77D, PHE98B, PHE98D, PRO215B, PRO215D, PRO245B, PRO245D, PRO252B, PRO252D, PRO268B, PRO268D, PRO74B, PRO74D, PRO89B, PRO89D, SER248B, SER248D, SER261B, SER261D, SER263B, SER263D, SER80B, SER80D, SER90B, SER90D, THR250B, THR250D, THR267B, THR267D, THR92B, THR92D, TYR213B, TYR213D, TYR260B, TYR260D, TYR266B, TYR266D, TYR277B, TYR277D, TYR78B, TYR78D, VAL216B, VAL216D, VAL265B, VAL265D, VAL271B, VAL271D
• B-E: ALA428B, ALA447B, ARG372E, ASP369E, ASP426B, ASP452B, GLN368E, GLN373E, GLU355B, GLY375E, LEU453B, LYS359B, LYS374E, LYS414E, LYS425B, LYS462B, PHE370E, PRO365E, PRO448B, SER311E, SER427B, SER455B, THR378E, TRP424B, TYR429B, TYR450B, TYR456B, TYR492B
• C-D: ALA495C, ALA495D, ALA542C, ALA542D, ALA543C, ALA543D, ALA548C, ALA548D, ARG211C, ARG211D, ARG461C, ARG461D, ARG501C, ARG501D, ARG505C, ARG505D, ARG533C, ARG533D, ASN497C, ASN497D, ASN552C, ASN552D, ASP208C, ASP208D, ASP452C, ASP452D, ASP459C, ASP459D, ASP494C, ASP494D, CYS534C, CYS534D, CYS551C, CYS551D, GLN242C, GLN242D, GLN458C, GLN458D, GLN544C, GLN544D, GLU491C, GLU491D, GLY457C, GLY457D, GLY490C, GLY490D, GLY549C, GLY549D, HIS212C, HIS212D, HIS264C, HIS264D, HIS553C, ILE454C, ILE454D, ILE541C, ILE541D, LEU214C, LEU214D, LEU262C, LEU262D, LEU451C, LEU451D, LEU453C, LEU453D, LEU488D, LEU498C, LEU498D, LEU546C, LEU546D, PRO215D, PRO500C, PRO500D, PRO504C, PRO504D, PRO545C, PRO545D, SER210C, SER210D, SER243C, SER243D, SER259C, SER259D, SER261C, SER261D, SER263C, SER263D, SER455C, SER455D, THR496C, THR496D, THR499C, THR499D, THR530C, THR530D, TRP460C, TRP460D, TRP489C, TRP489D, TRP503C, TRP503D, TYR213C, TYR213D, TYR260C, TYR260D, TYR450C, TYR450D, TYR456C, TYR456D, TYR492C, TYR492D, TYR526C, TYR526D, TYR547C, TYR547D, TYR550C, TYR550D, VAL493C, VAL493D, VAL537C, VAL537D
• C-F: ASP521F, LYS315C