3S6J

the crystal structure of a hydrolase from pseudomonas syringae

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 96
  • Norm. En. per Res.: -2.6274
• 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	0.0	0.0	-3.5556	-3.5556	8	0	0	182	0	1	7
A-D	-4.4344	-5.4002	-29.6565	-39.4911	21	0	0	1237	0	9	15
A-E	-10.9426	-26.8164	-181.656	-219.4151	97	5	5	7696	8	57	29
A-F	0.0	0.0	-0.4006	-0.4006	13	0	0	87	0	3	6
B-D	-5.2517	-4.3976	-22.002	-31.6513	25	7	0	1504	2	11	20
B-F	0.0	-30.8627	-177.115	-207.9777	95	3	5	7510	8	56	26
C-D	-19.6103	-49.9563	-182.668	-252.2346	96	8	5	7773	8	55	27
C-E	0.0	0.0	-0.0543	-0.0543	4	0	0	17	0	4	3
C-F	0.0	0.0	-0.106	-0.106	7	0	0	21	0	4	2
E-F	0.0	-0.7595	-16.624	-17.3835	10	2	0	489	0	9	5

Interface residues

• A-B: ARG175A, ASN137B, GLN172B, GLU136B, GLU171A, ILE138B, PRO139B, THR169A
• A-D: ALA135D, ALA173A, ARG175A, ARG175D, ASN137D, ASP134D, ASP170A, GLN172A, GLN172D, GLU136D, GLU171A, GLU171D, GLU174A, ILE138A, ILE138D, ILE168A, ILE168D, LEU133D, LYS179D, THR169A, THR169D
• A-E: ALA127A, ALA127E, ALA141A, ALA141E, ALA193A, ALA193E, ARG144A, ARG144E, ARG147A, ARG147E, ARG303A, ARG303E, ASP120A, ASP120E, ASP134A, ASP134E, ASP273A, ASP273E, ASP297A, ASP297E, ASP312A, ASP312E, ASP315A, ASP315E, GLN124A, GLN124E, GLN190A, GLN190E, GLU131A, GLU131E, GLU163A, GLU163E, GLU300A, GLU300E, GLU311A, GLU311E, GLY116A, GLY116E, GLY294A, GLY294E, GLY295A, GLY295E, GLY299A, GLY299E, HIS146A, HIS146E, HIS189E, ILE138A, ILE145A, ILE145E, ILE149A, ILE149E, ILE191A, ILE191E, ILE192A, ILE192E, ILE275A, ILE275E, ILE298A, ILE298E, LEU140A, LEU140E, LEU187A, LEU187E, LEU194A, LEU194E, LEU291A, LEU291E, LEU292A, LEU292E, LEU301A, LEU301E, LEU314A, LEU314E, LYS130A, LYS130E, PRO139A, PRO139E, PRO195A, PRO195E, PRO313A, PRO313E, SER293A, SER293E, THR119A, TRP143A, TRP143E, TYR123A, TYR123E, TYR296A, TYR296E, TYR310A, TYR310E, VAL122A, VAL122E, VAL126A, VAL126E
• A-F: ALA135A, ARG186A, ASN137A, ASN318F, ASP134A, GLN182A, GLU131A, GLU199F, GLU202F, LEU314F, LYS179A, LYS230F, VAL198F
• B-D: ALA132B, ALA135B, ALA173B, ARG162D, ARG175B, ARG175D, ARG186B, ASN137B, ASP134B, ASP170D, GLN172B, GLN172D, GLU131B, GLU136B, GLU171B, GLU171D, ILE138B, ILE138D, ILE168D, LEU133B, LEU176B, LYS179B, SER161D, THR169B, THR169D
• B-F: ALA127B, ALA127F, ALA141B, ALA141F, ALA193B, ALA193F, ARG144B, ARG144F, ARG147B, ARG147F, ARG303B, ARG303F, ASP120B, ASP120F, ASP134B, ASP134F, ASP273B, ASP273F, ASP297B, ASP297F, ASP312B, ASP312F, ASP315B, ASP315F, GLN124B, GLN124F, GLN190B, GLN190F, GLU131B, GLU131F, GLU163F, GLU300B, GLU300F, GLU311B, GLU311F, GLY116B, GLY116F, GLY294B, GLY294F, GLY295B, GLY295F, GLY299B, GLY299F, HIS146B, HIS146F, HIS189B, HIS189F, ILE145B, ILE145F, ILE149B, ILE149F, ILE191B, ILE191F, ILE192B, ILE192F, ILE275B, ILE275F, ILE298B, ILE298F, LEU140B, LEU140F, LEU187B, LEU187F, LEU194B, LEU194F, LEU291B, LEU291F, LEU292B, LEU292F, LEU301B, LEU301F, LEU314B, LEU314F, LYS130B, LYS130F, PRO139B, PRO139F, PRO195B, PRO195F, PRO313B, PRO313F, SER293B, SER293F, TRP143B, TRP143F, TYR123B, TYR123F, TYR296B, TYR296F, TYR310B, TYR310F, VAL122B, VAL122F, VAL126B, VAL126F
• C-D: ALA127C, ALA127D, ALA141C, ALA141D, ALA193C, ALA193D, ARG144C, ARG144D, ARG147C, ARG147D, ARG303C, ARG303D, ASP120C, ASP120D, ASP134C, ASP134D, ASP273C, ASP273D, ASP297C, ASP297D, ASP312C, ASP312D, ASP315C, ASP315D, GLN124C, GLN124D, GLN190C, GLN190D, GLU131C, GLU131D, GLU163D, GLU300C, GLU300D, GLU311C, GLU311D, GLY116C, GLY116D, GLY294C, GLY294D, GLY295C, GLY295D, GLY299C, GLY299D, HIS146C, HIS146D, HIS189C, ILE145C, ILE145D, ILE149C, ILE149D, ILE191C, ILE191D, ILE192C, ILE192D, ILE275C, ILE275D, ILE298C, ILE298D, LEU140C, LEU140D, LEU187C, LEU187D, LEU194C, LEU194D, LEU291C, LEU291D, LEU292C, LEU292D, LEU301C, LEU301D, LEU314C, LEU314D, LYS130C, LYS130D, LYS148C, PRO139C, PRO139D, PRO195C, PRO195D, PRO313C, PRO313D, SER293C, SER293D, THR164D, TRP143C, TRP143D, TYR123C, TYR123D, TYR296C, TYR296D, TYR310C, TYR310D, VAL122C, VAL122D, VAL126C, VAL126D
• C-E: ASN234C, GLU199E, LYS206E, LYS227C
• C-F: ASN234F, ASP232F, GLU199C, HIS189F, LEU314C, LYS206C, LYS227F
• E-F: ARG186E, ASN208F, ASP205F, GLN188E, GLN190E, GLU202F, GLU207F, HIS189E, LYS206F, THR203F