2IGS

crystal structure of the protein of unknown function from pseudomonas aeruginosa

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 76
  • Norm. En. per Res.: -2.9637
• Hub Node: C(5)

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-D	-66.2899	31.6484	-85.956	-120.5976	48	11	2	3954	0	6	14
A-F	0.0	0.0	-0.0736	-0.0736	2	0	0	23	0	2	2
B-C	-21.9513	0.0	-89.5552	-111.5065	69	6	1	4172	0	6	8
B-D	-32.7481	-10.2617	-182.234	-225.2438	76	12	4	6618	2	2	12
B-E	0.0	0.0	-13.7451	-13.7451	35	0	0	934	0	16	14
B-F	-38.4638	1.1057	-111.884	-149.2421	63	10	0	4045	0	8	5
B-H	-10.7283	0.0	-44.9781	-55.7064	29	3	0	1652	0	1	1
C-D	0.0	0.0	-27.2456	-27.2456	30	0	0	1734	0	4	3
C-E	0.0	0.0	-0.0259	-0.0259	3	0	0	20	0	1	1
C-F	-2.6599	0.0	-22.0023	-24.6622	26	5	0	1371	0	2	2
C-G	-50.2505	-10.9495	-162.424	-223.624	79	16	5	6641	2	2	12
C-H	-12.5616	0.0	-77.9393	-90.5009	71	2	0	3975	0	13	14
D-E	0.0	0.0	-186.145	-186.145	95	10	11	8282	0	8	2
D-F	-12.4927	17.8484	-68.5913	-63.2356	29	1	1	2221	0	10	5
D-H	0.0	0.0	-0.0033	-0.0033	4	0	0	3	0	0	0
E-H	-7.3522	-38.2237	-89.0252	-134.6011	71	2	2	3808	1	12	7
G-H	0.0	0.0	-0.3088	-0.3088	5	0	0	40	0	3	2

Interface residues

• A-D: ALA109A, ALA109D, ALA136A, ALA164A, ALA164D, ALA213A, ALA213D, ALA214A, ALA214D, ARG106A, ARG106D, ARG110A, ARG110D, ARG118A, ARG118D, ASP105A, ASP105D, ASP117A, ASP117D, GLY112A, GLY112D, GLY114A, GLY114D, GLY160A, GLY160D, GLY216A, GLY216D, ILE107A, ILE107D, ILE215A, ILE215D, LYS108A, LYS108D, PHE111A, PHE111D, PHE212A, PHE212D, SER113A, SER113D, SER217A, THR158A, THR158D, THR161A, THR161D, TYR115A, TYR115D, TYR211A, TYR211D
• A-F: LYS108A, SER113F
• B-C: ALA101C, ALA109C, ALA136B, ALA164B, ALA164C, ALA173B, ALA185B, ALA213C, ALA214C, ALA34C, ARG106C, ARG110C, ARG155B, ARG182B, ASN103C, ASN187B, ASP105C, ASP184B, GLN102C, GLN142B, GLN163B, GLN163C, GLN35C, GLU143B, GLU38C, GLY112C, GLY114C, GLY160B, GLY160C, GLY176B, GLY178B, GLY180B, GLY216C, GLY28C, ILE107C, ILE195B, ILE215C, LEU104C, LEU146B, LEU154B, LEU157B, LEU167C, LEU181B, LEU183B, LEU94C, LYS108C, LYS172B, LYS172C, PHE188B, PHE29C, PRO159B, PRO177B, PRO186B, PRO32C, PRO95C, SER113C, SER144B, SER99C, THR158B, THR161C, THR166C, THR98C, TRP162B, TRP162C, TYR115C, VAL175B, VAL179B, VAL191B, VAL30C
• B-D: ALA185B, ALA185D, ARG182B, ARG182D, ASN124B, ASN124D, ASN187B, ASN187D, ASN193B, ASN193D, ASP129B, ASP129D, ASP135B, ASP135D, ASP184B, ASP184D, ASP190B, ASP190D, GLN142B, GLN142D, GLN62B, GLN62D, GLU143B, GLU143D, GLY131B, GLY131D, GLY138B, GLY138D, GLY139B, GLY139D, GLY145B, GLY145D, GLY198B, ILE140B, ILE140D, ILE195B, ILE195D, LEU146B, LEU146D, LEU183B, LEU183D, LYS196B, LYS196D, PHE132B, PHE132D, PHE188B, PHE188D, PHE192B, PHE192D, PRO123B, PRO123D, PRO186B, PRO186D, SER133D, SER137B, SER141B, SER141D, SER144B, SER144D, SER189B, SER189D, SER197B, SER197D, THR128B, THR134B, THR134D, THR194B, THR194D, TYR126B, TYR126D, VAL125B, VAL125D, VAL130B, VAL130D, VAL191B, VAL191D
• B-E: ALA173B, ALA173E, ARG80B, ARG80E, ARG87B, ARG87E, ASN193B, ASN193E, ASN83B, ASN83E, ASP170B, ASP170E, ASP190B, ASP190E, GLU169E, GLU84B, GLU84E, GLU92B, GLY198B, ILE195B, LEU174B, LEU174E, LEU199B, PHE79B, PHE79E, PRO177B, PRO177E, SER197B, SER197E, THR194B, THR194E, VAL82B, VAL82E, VAL91B, VAL91E
• B-F: ALA136B, ALA136F, ARG118B, ARG118F, ARG155B, ARG155F, ASN124B, ASN124F, ASN153B, ASN153F, ASP135B, ASP135F, GLN142B, GLN142F, GLY121B, GLY121F, GLY138B, GLY138F, GLY139B, GLY139F, GLY145B, GLY145F, GLY151B, GLY151F, ILE140B, ILE140F, LEU146B, LEU147B, LEU147F, LEU154B, LEU154F, LYS120B, LYS120F, PHE132B, PHE132F, PHE212B, PHE212F, PRO123B, PRO123F, SER122B, SER122F, SER133B, SER133F, SER137B, SER137F, SER141B, SER141F, SER144B, SER144F, SER149B, SER149F, THR134B, THR134F, THR156B, THR156F, TYR150B, TYR150F, TYR211B, TYR211F, VAL148B, VAL148F, VAL152B, VAL152F
• B-H: ALA136H, ALA164H, ALA173B, ALA214H, ARG106H, ARG87B, ASN90B, ASP170B, CYS89B, GLN163B, GLN163H, GLU169B, GLU86B, GLU92B, GLY160H, GLY216H, LEU157H, LYS172B, LYS172H, LYS85B, PRO159H, PRO168B, PRO95B, THR158H, THR161H, THR166H, TRP162H, VAL88B, VAL91B
• C-D: ALA164C, ALA59D, ARG155C, ARG182C, ASP55D, ASP60D, GLN163C, GLN61D, GLN62D, GLU143C, GLU49D, GLY160C, GLY180C, GLY216C, HIS47D, ILE51D, LEU157C, LYS58D, PHE50D, PRO159C, PRO48D, PRO52D, THR156C, THR158C, THR161C, TRP162C, TYR126D, TYR63D, VAL125D, VAL179C
• C-E: PRO159C, PRO27E, THR158C
• C-F: ALA164F, ALA214F, ARG106F, ARG110F, ARG118F, ARG23C, ASN26C, ASN90C, CYS25C, GLN163F, GLY160F, GLY216F, GLY28C, ILE215F, LEU157F, LYS85C, PHE111F, PHE29C, PRO159F, PRO27C, THR156F, THR158F, THR161F, TRP162F, TYR211F, VAL30C
• C-G: ALA185C, ALA185G, ARG182C, ARG182G, ASN124C, ASN124G, ASN187C, ASN187G, ASN193C, ASN193G, ASP129C, ASP129G, ASP135C, ASP135G, ASP184C, ASP184G, ASP190C, ASP190G, GLN142C, GLN142G, GLN62C, GLN62G, GLU143C, GLU143G, GLY131C, GLY131G, GLY138C, GLY138G, GLY139C, GLY139G, GLY145C, GLY145G, GLY198G, ILE140C, ILE140G, ILE195G, LEU146C, LEU146G, LEU147C, LEU147G, LEU183C, LEU183G, LYS196C, LYS196G, PHE132C, PHE132G, PHE188C, PHE188G, PHE192C, PHE192G, PRO123C, PRO123G, PRO186C, PRO186G, SER133C, SER137C, SER137G, SER141C, SER141G, SER144C, SER144G, SER189C, SER189G, SER197C, SER197G, THR128C, THR128G, THR134C, THR134G, THR194C, THR194G, TYR126C, TYR126G, VAL125C, VAL125G, VAL130C, VAL130G, VAL191C, VAL191G
• C-H: ALA136C, ALA136H, ARG110C, ARG110H, ARG118C, ARG118H, ARG45C, ARG45H, ASN153C, ASN153H, ASP117C, ASP117H, ASP135C, ASP135H, GLU143C, GLU143H, GLU38C, GLU38H, GLY112C, GLY112H, GLY114C, GLY114H, GLY121C, GLY121H, GLY138C, GLY138H, GLY139C, GLY139H, GLY151C, GLY151H, GLY216C, GLY216H, HIS47H, ILE215C, ILE215H, LEU116C, LEU116H, LEU147C, LEU147H, LEU44H, LEU46C, LEU46H, LYS108C, LYS108H, LYS120C, LYS120H, PHE111C, PHE111H, PHE119C, PHE119H, PHE212C, PHE212H, PRO123C, PRO123H, PRO48C, PRO48H, SER113C, SER113H, SER122C, SER122H, SER133C, SER133H, SER137C, SER137H, SER217H, THR134C, THR134H, THR156C, THR156H, TYR115C, TYR115H
• D-E: ALA15E, ALA22E, ALA59D, ALA59E, ALA68D, ALA68E, ALA72D, ALA72E, ARG23D, ARG23E, ARG80D, ASN16D, ASN16E, ASN193D, ASN26E, ASN5D, ASN5E, ASN73D, ASN83D, ASN9E, ASP55D, ASP55E, ASP60D, CYS25E, GLN12E, GLN24D, GLN24E, GLN61D, GLN61E, GLN62D, GLN69D, GLN69E, GLU3E, GLU70D, GLU70E, GLY198D, GLY20D, GLY20E, GLY28E, GLY74D, GLY74E, GLY78D, GLY78E, ILE17D, ILE17E, ILE4E, ILE51D, ILE51E, ILE56D, ILE56E, ILE6D, ILE6E, ILE71D, ILE71E, ILE77D, LEU14E, LEU66D, LEU66E, LEU67D, LEU67E, LYS196D, LYS19D, LYS19E, LYS58D, LYS58E, LYS85D, LYS85E, PHE21D, PHE21E, PHE29E, PHE79D, PHE79E, PRO10E, PRO27E, SER13D, SER13E, SER197D, SER57D, SER57E, SER64D, SER64E, THR65D, THR65E, THR76D, TYR18D, TYR18E, TYR63D, TYR63E, TYR7D, TYR7E, VAL30E, VAL75D, VAL75E, VAL82D, VAL82E
• D-F: ALA136D, ARG110F, ARG118F, ARG155D, ARG182D, ASP117F, ASP135D, ASP184D, GLN142D, GLU143D, GLY112F, GLY114F, GLY121F, GLY138D, GLY139D, ILE107F, LEU116F, LEU46F, LYS120F, PHE111F, PHE119F, SER113F, SER122F, SER137D, SER141D, SER144D, THR134D, THR156D, TYR115F
• D-H: ALA109H, GLN61D, LYS58D, SER113H
• E-H: ALA109H, ALA164E, ALA164H, ALA213E, ALA213H, ALA214E, ALA214H, ALA22H, ARG106E, ARG106H, ARG110E, ARG110H, ARG87E, ASN103E, ASN103H, ASN26E, ASN26H, ASN90E, ASN90H, ASP105H, CYS25E, CYS25H, CYS89E, CYS89H, GLN102E, GLN102H, GLN163E, GLN35H, GLU169E, GLU86E, GLU86H, GLU92E, GLY112H, GLY160E, GLY160H, GLY216E, GLY216H, GLY28E, GLY28H, ILE107H, ILE215E, ILE215H, LEU167E, LEU94E, LEU94H, LYS108H, LYS172E, PHE111H, PHE29E, PHE29H, PRO159E, PRO168E, PRO27E, PRO27H, PRO32H, PRO95E, PRO95H, SER113H, SER217H, SER99E, THR158E, THR161E, THR166E, THR166H, THR98E, THR98H, TRP162E, VAL30H, VAL88E, VAL91E, VAL91H
• G-H: GLN142G, GLU143G, GLU49H, GLY53H, PRO48H