2JC3

structure of o-acetylserine sulfhydrylase b from salmonella typhimurium

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 71
  • Norm. En. per Res.: -4.7321
• Hub Node: E(3)

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	-74.7493	4.614	-408.559	-478.6943	166	13	28	17273	2	38	33
B-G	-3.7739	7.8198	-65.3537	-61.3078	55	1	0	2747	1	19	20
C-D	-70.1756	13.3802	-427.498	-484.2934	162	9	28	17461	2	37	31
D-F	-19.0416	-67.5857	-137.83	-224.4573	93	4	0	5637	2	34	47
E-F	-50.1799	15.2543	-423.037	-457.9626	162	11	28	17357	2	37	34
E-G	-5.0161	8.2733	-18.0938	-14.8367	35	0	0	1104	0	25	25
E-H	-4.0143	0.0	-8.0288	-12.0432	11	0	0	313	0	3	3
F-H	-79.3331	-90.4515	-166.195	-335.9796	71	14	7	7570	16	29	35
G-H	-80.8636	6.5412	-420.262	-494.5844	166	7	28	17226	2	37	34

Interface residues

• A-B: ALA101A, ALA101B, ALA102A, ALA102B, ALA105A, ALA105B, ALA108A, ALA108B, ALA245A, ALA245B, ALA37A, ALA37B, ALA77A, ALA77B, ALA80A, ALA80B, ALA81A, ALA81B, ARG100A, ARG100B, ARG104A, ARG104B, ARG165A, ARG165B, ARG18A, ARG18B, ARG242A, ARG242B, ARG247A, ARG247B, ARG282A, ARG282B, ARG285A, ARG285B, ARG99A, ARG99B, ASN2A, ASN2B, ASN34A, ASN34B, ASN35A, ASN35B, ASP281A, ASP281B, ASP284A, ASP284B, ASP42A, ASP42B, CYS252A, CYS252B, GLN161A, GLN161B, GLN17A, GLN17B, GLN6A, GLN6B, GLN97A, GLN97B, GLU243A, GLU243B, GLU248A, GLU248B, GLU26A, GLU26B, GLU32A, GLU32B, GLU5A, GLU5B, GLU98A, GLU98B, GLY107A, GLY107B, GLY249A, GLY249B, GLY283A, GLY283B, GLY290A, GLY290B, GLY293A, GLY293B, GLY33A, GLY33B, GLY38A, GLY38B, GLY61B, GLY84A, GLY84B, GLY9A, GLY9B, ILE250A, ILE250B, ILE279A, ILE279B, ILE27B, ILE74A, ILE74B, ILE79A, ILE79B, ILE8A, ILE8B, LEU110A, LEU13A, LEU13B, LEU16A, LEU16B, LEU244A, LEU244B, LEU287A, LEU287B, LEU31A, LEU31B, LEU4A, LEU4B, LEU82A, LEU82B, LYS15A, LYS15B, LYS83A, LYS83B, MET103A, MET103B, MET1A, MET1B, MET241A, MET241B, MET78A, MET78B, PHE251A, PHE251B, PHE292A, PHE292B, PRO12A, PRO12B, PRO36A, PRO36B, PRO60A, PRO60B, SER288A, SER288B, SER39A, SER39B, SER96A, THR11A, THR11B, THR289A, THR289B, THR3A, THR3B, THR7A, THR7B, TRP28A, TRP28B, TYR106A, TYR106B, TYR286A, TYR286B, TYR85A, TYR85B, VAL14A, VAL14B, VAL246A, VAL246B, VAL291A, VAL291B, VAL29A, VAL29B
• B-G: ALA223G, ALA269B, ALA273B, ALA52G, ARG165B, ARG184G, ARG187B, ARG187G, ARG268B, ARG55G, ASN142G, ASN143G, ASN222G, ASN23B, ASP139G, ASP145G, ASP227B, ASP22B, GLN189B, GLU131G, GLU188G, GLU190B, GLU51G, GLU57G, GLY133G, GLY135G, GLY219G, GLY24B, GLY272B, HIS168B, ILE220G, LEU127G, LEU137G, LEU138G, LEU225G, LYS136G, LYS191B, PHE185G, PHE221G, PRO144G, PRO192B, PRO21B, PRO271B, SER130G, SER183G, SER224G, SER25B, THR167B, THR180G, THR194B, THR270B, TYR148G, TYR151G, VAL193B, VAL266B
• C-D: ALA101C, ALA101D, ALA102C, ALA102D, ALA105C, ALA105D, ALA108C, ALA108D, ALA245C, ALA245D, ALA37C, ALA37D, ALA77C, ALA77D, ALA80C, ALA80D, ALA81C, ALA81D, ARG100C, ARG100D, ARG104C, ARG104D, ARG165C, ARG165D, ARG18C, ARG18D, ARG242C, ARG242D, ARG247C, ARG247D, ARG282C, ARG282D, ARG285C, ARG285D, ARG99C, ARG99D, ASN10D, ASN2C, ASN2D, ASN34C, ASN34D, ASN35C, ASN35D, ASP281C, ASP281D, ASP284C, ASP284D, ASP42C, ASP42D, CYS252C, CYS252D, GLN161C, GLN161D, GLN17C, GLN17D, GLN6C, GLN6D, GLN97C, GLN97D, GLU243C, GLU243D, GLU248C, GLU248D, GLU26C, GLU26D, GLU32C, GLU32D, GLU5C, GLU5D, GLU98C, GLU98D, GLY107C, GLY107D, GLY249C, GLY249D, GLY283C, GLY283D, GLY290C, GLY290D, GLY293C, GLY293D, GLY33C, GLY33D, GLY38C, GLY38D, GLY61C, GLY84C, GLY84D, GLY9C, GLY9D, ILE250C, ILE250D, ILE279C, ILE279D, ILE74C, ILE74D, ILE79C, ILE79D, ILE8C, ILE8D, LEU13C, LEU13D, LEU16C, LEU16D, LEU244C, LEU244D, LEU287C, LEU287D, LEU31C, LEU31D, LEU4C, LEU4D, LEU82C, LEU82D, LYS15C, LYS15D, LYS83C, LYS83D, MET103C, MET103D, MET1C, MET1D, MET241C, MET241D, MET78C, MET78D, PHE251C, PHE251D, PHE292C, PHE292D, PRO12C, PRO12D, PRO36C, PRO36D, PRO60C, PRO60D, SER288C, SER288D, SER39C, SER39D, THR11C, THR11D, THR289C, THR289D, THR3C, THR3D, THR7C, THR7D, TRP28C, TRP28D, TYR106C, TYR106D, TYR286C, TYR286D, TYR85C, TYR85D, VAL14C, VAL14D, VAL246C, VAL246D, VAL29C, VAL29D
• D-F: ALA149D, ALA149F, ALA223D, ALA223F, ALA52D, ALA52F, ARG132D, ARG132F, ARG184D, ARG184F, ARG187D, ARG187F, ARG55D, ARG55F, ASN142D, ASN142F, ASN143D, ASN143F, ASN146D, ASN146F, ASN222D, ASN222F, ASP145D, ASP145F, GLN189D, GLN189F, GLU131D, GLU131F, GLU134D, GLU134F, GLU188D, GLU188F, GLU215D, GLU215F, GLU51D, GLU51F, GLU53D, GLU53F, GLU57D, GLU57F, GLY133D, GLY133F, GLY135D, GLY135F, GLY181D, GLY181F, GLY219D, GLY219F, GLY56D, GLY56F, ILE220D, ILE220F, ILE58D, ILE58F, LEU127D, LEU127F, LEU137F, LEU225D, LEU225F, LYS136D, LYS136F, LYS54D, LYS54F, LYS59D, LYS59F, MET217D, MET217F, PHE185D, PHE185F, PHE221D, PHE221F, PRO144D, PRO144F, PRO147D, PRO147F, PRO218D, PRO218F, SER130D, SER130F, SER224D, SER224F, SER47D, SER47F, THR152D, THR152F, THR180D, THR180F, TYR148D, TYR148F, TYR151D, TYR151F, TYR216D, TYR216F
• E-F: ALA101E, ALA101F, ALA102E, ALA102F, ALA105E, ALA105F, ALA108E, ALA108F, ALA245E, ALA245F, ALA37E, ALA37F, ALA77E, ALA77F, ALA80E, ALA80F, ALA81E, ALA81F, ARG100E, ARG100F, ARG104E, ARG104F, ARG165E, ARG165F, ARG18E, ARG18F, ARG242E, ARG242F, ARG247E, ARG247F, ARG282E, ARG282F, ARG285E, ARG285F, ARG99E, ARG99F, ASN10F, ASN2E, ASN2F, ASN34E, ASN34F, ASN35E, ASN35F, ASP281E, ASP281F, ASP284E, ASP284F, ASP42E, ASP42F, CYS252E, CYS252F, GLN161E, GLN161F, GLN17E, GLN17F, GLN6E, GLN6F, GLN97E, GLN97F, GLU243E, GLU243F, GLU248E, GLU248F, GLU26E, GLU32E, GLU32F, GLU5E, GLU5F, GLU98E, GLU98F, GLY107E, GLY107F, GLY249E, GLY249F, GLY283E, GLY283F, GLY290E, GLY290F, GLY293E, GLY293F, GLY33E, GLY33F, GLY38E, GLY38F, GLY84E, GLY84F, GLY9E, GLY9F, ILE250E, ILE250F, ILE279E, ILE279F, ILE74E, ILE74F, ILE79E, ILE79F, ILE8E, ILE8F, LEU110E, LEU13E, LEU13F, LEU16E, LEU16F, LEU244E, LEU244F, LEU287E, LEU287F, LEU31E, LEU31F, LEU4E, LEU4F, LEU82E, LEU82F, LYS15E, LYS15F, LYS83E, LYS83F, MET103E, MET103F, MET1E, MET1F, MET241E, MET241F, MET78E, MET78F, PHE251E, PHE251F, PHE292E, PHE292F, PRO12E, PRO12F, PRO36E, PRO36F, PRO60E, PRO60F, SER288E, SER288F, SER39E, SER39F, THR11E, THR11F, THR289E, THR289F, THR3E, THR3F, THR7E, THR7F, TRP28E, TRP28F, TYR106E, TYR106F, TYR286E, TYR286F, TYR85E, TYR85F, VAL14E, VAL14F, VAL246E, VAL246F, VAL291F, VAL29E, VAL29F
• E-G: ARG18E, ARG18G, ARG242E, ARG242G, ARG247E, ARG247G, ARG265E, ARG268E, ARG268G, ASN235E, ASN235G, ASN239E, ASN239G, ASN23E, ASP22E, ASP22G, ASP236E, ASP236G, GLN234E, GLU201E, GLU201G, GLU202E, GLU243E, GLU243G, GLY203E, GLY20E, GLY20G, HIS233E, HIS233G, ILE19E, ILE19G, LEU264E, PRO21E, PRO21G, VAL246G
• E-H: ARG242E, ARG86H, GLU109H, GLU238E, GLY290E, GLY293E, LYS88H, PHE292E, THR289E, VAL291E, VAL63H
• F-H: ALA101F, ALA108F, ALA122F, ALA122H, ALA126F, ALA126H, ALA128F, ALA128H, ARG100F, ARG100H, ARG104F, ARG104H, ARG132F, ARG132H, ARG86F, ARG86H, ASN94F, ASN94H, ASP124F, ASP124H, ASP93F, ASP93H, GLN117F, GLN117H, GLN97F, GLN97H, GLU109F, GLU109H, GLU116F, GLU116H, GLU134F, GLU134H, GLY107F, GLY121F, GLY121H, GLY133H, GLY135H, ILE111F, ILE111H, ILE65F, ILE65H, LEU110F, LEU110H, LEU112F, LEU112H, LEU125F, LEU125H, LEU89F, LEU90F, LEU90H, LYS115F, LYS115H, LYS88F, LYS88H, MET129F, MET129H, MET87F, MET91F, MET91H, MET95F, MET95H, PRO92F, PRO92H, SER96F, SER96H, THR114F, THR114H, VAL113F, VAL113H, VAL63F, VAL63H
• G-H: ALA101G, ALA101H, ALA102G, ALA102H, ALA105G, ALA105H, ALA108G, ALA108H, ALA245G, ALA245H, ALA37G, ALA37H, ALA77G, ALA77H, ALA80G, ALA80H, ALA81G, ALA81H, ARG100G, ARG100H, ARG104G, ARG104H, ARG165G, ARG165H, ARG18G, ARG18H, ARG242G, ARG242H, ARG247G, ARG247H, ARG282G, ARG282H, ARG285G, ARG285H, ARG99G, ARG99H, ASN10G, ASN10H, ASN2G, ASN2H, ASN34G, ASN34H, ASN35G, ASN35H, ASP281G, ASP281H, ASP284G, ASP284H, ASP42G, ASP42H, CYS252G, CYS252H, GLN161G, GLN161H, GLN17G, GLN17H, GLN6G, GLN6H, GLN97G, GLN97H, GLU243G, GLU243H, GLU248G, GLU248H, GLU26G, GLU26H, GLU32G, GLU32H, GLU5G, GLU5H, GLU98G, GLU98H, GLY107G, GLY107H, GLY249G, GLY249H, GLY283G, GLY283H, GLY290G, GLY290H, GLY293G, GLY293H, GLY33G, GLY33H, GLY38G, GLY38H, GLY61G, GLY61H, GLY84G, GLY84H, GLY9G, GLY9H, ILE250G, ILE250H, ILE279G, ILE279H, ILE74G, ILE74H, ILE79G, ILE79H, ILE8G, ILE8H, LEU13G, LEU13H, LEU16G, LEU16H, LEU244G, LEU244H, LEU287G, LEU287H, LEU31G, LEU31H, LEU4G, LEU4H, LEU82G, LEU82H, LYS15G, LYS15H, LYS83G, LYS83H, MET103G, MET103H, MET1G, MET1H, MET241G, MET241H, MET78G, MET78H, PHE251G, PHE251H, PHE292G, PHE292H, PRO12G, PRO12H, PRO36G, PRO36H, PRO60G, PRO60H, SER288G, SER288H, SER39G, SER39H, THR11G, THR11H, THR289G, THR289H, THR3G, THR3H, THR7G, THR7H, TRP28G, TRP28H, TYR106G, TYR106H, TYR286G, TYR286H, TYR85G, TYR85H, VAL14G, VAL14H, VAL246G, VAL246H, VAL291G, VAL291H, VAL29G, VAL29H