1QOL

structure of the fmdv leader protease

• Total interactions analyzed: 36
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 129
  • Norm. En. per Res.: -4.7458
• 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	-0.0456	-0.0456	2	0	0	4	0	0	1
A-C	-95.0911	-65.8707	-451.247	-612.2088	129	23	13	17105	3	49	36
A-D	0.0	28.2361	770.823	799.0591	22	4	3	965	0	1	15
A-F	-25.7188	41.263	-167.222	-151.6778	60	8	2	6924	3	14	26
B-C	0.0	28.0393	93.2487	121.288	24	3	3	914	0	1	16
B-D	-74.4082	-62.1166	-440.117	-576.6418	128	19	13	17059	2	50	36
C-D	0.0	0.0	-0.0516	-0.0516	4	0	0	4	0	2	3
C-G	-6.6223	13.5808	-78.04	-71.0815	53	5	1	4070	0	18	23
E-F	0.0	0.0	-0.016	-0.016	2	0	0	1	0	0	1
E-G	0.0	32.282	-0.0501	32.2319	21	2	3	959	0	1	17
E-H	-64.5195	-68.0522	-422.586	-555.1577	131	36	14	16787	2	51	37
F-G	-54.5113	-73.1544	-440.883	-568.5487	128	42	15	17046	2	52	37
F-H	0.0	23.7166	-7.8022	15.9145	22	2	3	884	0	2	17
G-H	0.0	0.0	-0.0135	-0.0135	4	0	0	2	0	2	4

Interface residues

• A-B: ASP131A, ASP131B
• A-C: ALA101A, ALA101C, ALA118A, ALA118C, ALA149A, ALA149C, ALA194A, ALA194C, ALA51A, ALA51C, ALA55A, ALA55C, ARG120A, ARG120C, ARG198A, ARG198C, ASN106C, ASN189C, ASN46A, ASN46C, ASN50A, ASN50C, ASN54A, ASN54C, ASP128A, ASP128C, ASP131A, ASP131C, ASP164A, ASP164C, ASP173A, ASP173C, ASP176A, ASP176C, ASP49A, ASP49C, GLN146A, GLN146C, GLN197A, GLN197C, GLU147A, GLU147C, GLU191C, GLU93A, GLU93C, GLU96A, GLU96C, GLY116C, GLY129A, GLY129C, GLY145A, GLY145C, GLY190C, GLY97A, GLY97C, GLY98A, GLY98C, HIS148A, HIS148C, HIS48A, HIS48C, HIS95A, HIS95C, ILE104C, ILE141A, ILE141C, LEU102A, LEU102C, LEU143A, LEU143C, LEU178A, LEU178C, LEU200A, LEU200C, LEU53A, LEU53C, LEU92A, LEU92C, LEU94A, LEU94C, LYS108A, LYS108C, LYS144A, LYS144C, LYS193A, LYS193C, LYS195A, LYS195C, LYS199A, LYS199C, LYS201A, LYS201C, MET132A, PHE142A, PHE142C, PRO100A, PRO100C, PRO121A, PRO174A, PRO174C, PRO99A, PRO99C, SER119A, SER119C, SER175A, SER175C, THR117A, THR117C, THR130A, THR130C, TRP105A, TRP105C, TRP192C, TRP52A, TRP52C, VAL103A, VAL103C, VAL126A, VAL126C, VAL127A, VAL127C, VAL150A, VAL150C, VAL177A, VAL177C, VAL179A, VAL179C, VAL196A, VAL196C
• A-D: ALA135A, ALA135D, ASN189D, ASP131A, ASP131D, ASP136A, ASP136D, ASP173A, CYS133A, CYS133D, LEU134A, LEU134D, LEU188D, MET132A, MET132D, PRO172A, PRO174A, PRO174D, SER175A, THR171A, THR171D, TRP159A
• A-F: ALA82A, ALA82F, ARG61A, ARG61F, ASN77A, ASP69A, ASP69F, ASP88A, ASP88F, GLN85A, GLN85F, GLU65A, GLU65F, GLU76A, GLU76F, GLU81A, GLU81F, GLU87A, GLU87F, HIS109A, HIS109F, HIS112A, HIS112F, ILE107A, ILE107F, ILE83A, ILE83F, LEU110A, LEU110F, LEU111A, LEU111F, LEU78A, LEU78F, LEU80A, LEU80F, LEU86A, LEU86F, LEU89A, LEU89F, LYS108A, LYS84A, LYS84F, PHE67A, PHE67F, PHE68A, PHE68F, PRO66A, PRO66F, PRO75A, PRO75F, SER73A, SER73F, SER74A, SER74F, TRP70A, TRP70F, TYR72A, TYR72F, VAL71A, VAL71F
• B-C: ALA135B, ALA135C, ASN189C, ASP131B, ASP131C, ASP136B, ASP136C, ASP173B, ASP173C, CYS133B, CYS133C, GLU191C, LEU134B, LEU134C, LEU188C, MET132B, MET132C, PRO174B, PRO174C, SER175B, SER175C, THR171B, THR171C, TRP159B
• B-D: ALA101B, ALA101D, ALA118B, ALA118D, ALA149B, ALA149D, ALA194B, ALA194D, ALA51B, ALA51D, ALA55B, ALA55D, ARG120B, ARG120D, ARG198B, ARG198D, ASN106D, ASN189D, ASN46B, ASN46D, ASN50B, ASN50D, ASN54B, ASN54D, ASP128B, ASP128D, ASP131B, ASP131D, ASP164B, ASP164D, ASP173B, ASP173D, ASP176B, ASP176D, ASP49B, ASP49D, GLN146B, GLN146D, GLN197B, GLN197D, GLU147B, GLU147D, GLU191D, GLU93B, GLU93D, GLU96B, GLU96D, GLY116D, GLY129B, GLY129D, GLY145B, GLY145D, GLY190D, GLY97B, GLY97D, GLY98B, GLY98D, HIS148B, HIS148D, HIS48B, HIS48D, HIS95B, HIS95D, ILE141B, ILE141D, LEU102B, LEU102D, LEU143B, LEU143D, LEU178B, LEU178D, LEU200B, LEU200D, LEU53B, LEU53D, LEU92B, LEU92D, LEU94B, LEU94D, LYS108B, LYS108D, LYS144B, LYS144D, LYS193B, LYS193D, LYS195B, LYS195D, LYS199B, LYS199D, LYS201B, LYS201D, MET132B, PHE142B, PHE142D, PRO100B, PRO100D, PRO121B, PRO174B, PRO174D, PRO99B, PRO99D, SER119B, SER119D, SER175B, SER175D, THR117B, THR117D, THR130B, THR130D, TRP105B, TRP105D, TRP192D, TRP52B, TRP52D, VAL103B, VAL103D, VAL126B, VAL126D, VAL127B, VAL127D, VAL150B, VAL150D, VAL177B, VAL177D, VAL179B, VAL179D, VAL196B, VAL196D
• C-D: ASP131C, ASP131D, GLU191C, GLU191D
• C-G: ALA82C, ALA82G, ASP69C, ASP69G, ASP88C, ASP88G, GLN85C, GLN85G, GLU65C, GLU65G, GLU76C, GLU76G, GLU81C, GLU81G, GLU87C, GLU87G, GLY91C, GLY91G, HIS109C, HIS109G, HIS112C, HIS112G, ILE107C, ILE107G, LEU110C, LEU110G, LEU111C, LEU111G, LEU78C, LEU78G, LEU80G, LEU86C, LEU86G, LEU89C, LEU89G, LYS84C, LYS84G, PHE67C, PHE67G, PHE68C, PHE68G, PRO66C, PRO66G, PRO75C, PRO75G, SER74C, SER74G, THR90C, THR90G, TRP70C, TRP70G, VAL71C, VAL71G
• E-F: ASP131E, ASP131F
• E-G: ALA135E, ALA135G, ASN189G, ASP131E, ASP131G, ASP136E, ASP136G, ASP173E, CYS133E, CYS133G, GLU191G, LEU134E, LEU134G, LEU188G, MET132E, MET132G, PRO174E, PRO174G, SER175E, THR171E, THR171G
• E-H: ALA101E, ALA101H, ALA118E, ALA118H, ALA149E, ALA149H, ALA194E, ALA194H, ALA51E, ALA51H, ALA55E, ALA55H, ARG120E, ARG120H, ARG198E, ARG198H, ASN106H, ASN46E, ASN46H, ASN50E, ASN50H, ASN54E, ASN54H, ASP128E, ASP128H, ASP131E, ASP131H, ASP164E, ASP164H, ASP173E, ASP173H, ASP176E, ASP176H, ASP49E, ASP49H, GLN146E, GLN146H, GLN185E, GLN197E, GLN197H, GLU147E, GLU147H, GLU191H, GLU93E, GLU93H, GLU96E, GLU96H, GLY116E, GLY116H, GLY129E, GLY129H, GLY145E, GLY145H, GLY190H, GLY97E, GLY97H, GLY98E, GLY98H, HIS148E, HIS148H, HIS48E, HIS48H, HIS95E, HIS95H, ILE115H, ILE141E, ILE141H, ILE56E, ILE56H, LEU102E, LEU102H, LEU143E, LEU143H, LEU178E, LEU178H, LEU200E, LEU200H, LEU53E, LEU53H, LEU92E, LEU92H, LEU94E, LEU94H, LYS108E, LYS108H, LYS144E, LYS144H, LYS193E, LYS193H, LYS195E, LYS195H, LYS199E, LYS199H, LYS201E, LYS201H, PHE142E, PHE142H, PRO100E, PRO100H, PRO121E, PRO174E, PRO174H, PRO99E, PRO99H, SER119E, SER119H, SER175E, SER175H, THR117E, THR117H, THR130E, THR130H, TRP105E, TRP105H, TRP192H, TRP52E, TRP52H, VAL103E, VAL103H, VAL126E, VAL126H, VAL127E, VAL127H, VAL150E, VAL150H, VAL177E, VAL177H, VAL179E, VAL179H, VAL196E, VAL196H
• F-G: ALA101F, ALA101G, ALA118F, ALA118G, ALA149F, ALA149G, ALA194F, ALA194G, ALA51F, ALA51G, ALA55F, ALA55G, ARG120F, ARG120G, ARG198F, ARG198G, ASN106G, ASN189G, ASN46F, ASN46G, ASN50F, ASN50G, ASN54G, ASP128F, ASP128G, ASP131F, ASP131G, ASP164F, ASP164G, ASP173F, ASP173G, ASP176F, ASP176G, ASP49F, ASP49G, GLN146F, GLN146G, GLN197F, GLN197G, GLU147F, GLU147G, GLU191G, GLU93F, GLU93G, GLU96F, GLU96G, GLY116G, GLY129F, GLY129G, GLY145F, GLY145G, GLY190G, GLY97F, GLY97G, GLY98F, GLY98G, HIS148F, HIS148G, HIS48F, HIS48G, HIS95F, HIS95G, ILE141F, ILE141G, ILE56F, LEU102F, LEU102G, LEU143F, LEU143G, LEU178F, LEU178G, LEU200F, LEU200G, LEU53F, LEU53G, LEU92F, LEU92G, LEU94F, LEU94G, LYS108F, LYS108G, LYS144F, LYS144G, LYS193F, LYS193G, LYS195F, LYS195G, LYS199F, LYS199G, LYS201F, LYS201G, MET132F, PHE142F, PHE142G, PRO100F, PRO100G, PRO121F, PRO174F, PRO174G, PRO99F, PRO99G, SER119F, SER119G, SER175F, SER175G, THR117F, THR117G, THR130F, THR130G, TRP105F, TRP105G, TRP192G, TRP52F, TRP52G, VAL103F, VAL103G, VAL126F, VAL126G, VAL127F, VAL127G, VAL150F, VAL150G, VAL177F, VAL177G, VAL179F, VAL179G, VAL196F, VAL196G
• F-H: ALA135F, ALA135H, ASN189H, ASP131F, ASP131H, ASP136F, ASP136H, ASP173F, CYS133F, CYS133H, GLU191H, LEU134F, LEU134H, LEU188H, MET132F, MET132H, PRO174F, PRO174H, SER175F, SER175H, THR171F, THR171H
• G-H: ASP131G, ASP131H, GLU191G, LYS195H