2FLF

crystal structure of l-fuculose-1-phosphate aldolase from thermus thermophilus hb8

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 110
  • Norm. En. per Res.: -3.8581
• 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	-22.6771	-44.7503	-196.741	-264.1684	96	25	9	9068	3	23	19
A-C	0.0	0.0	-0.3933	-0.3933	7	0	0	99	0	0	0
A-D	-35.7387	-99.3173	-293.846	-428.902	116	22	11	11906	4	30	22
A-G	0.0	0.0	-0.0638	-0.0638	5	0	0	30	0	6	3
B-C	-22.935	-97.0518	-304.401	-424.3878	110	15	10	11633	3	31	20
B-D	0.0	0.0	-0.8771	-0.8771	5	0	1	144	0	0	0
C-D	-40.7371	-41.1223	-207.601	-289.4604	101	18	7	8944	1	23	19
D-F	0.0	0.0	-0.1333	-0.1333	6	0	0	41	0	0	0
D-G	0.0	0.0	-1.192	-1.192	14	0	0	193	0	1	7
E-F	-7.7983	-32.0034	-232.533	-272.3347	96	23	9	9443	0	22	19
E-G	0.0	0.0	-0.2521	-0.2521	5	0	0	80	0	0	0
E-H	0.0	-33.0751	-140.05	-173.1251	92	7	6	7294	0	26	18
F-G	-20.3534	-104.2956	-263.411	-388.06	113	29	11	11836	5	30	21
F-H	0.0	0.0	-0.3532	-0.3532	6	0	0	97	0	0	0
G-H	-10.7756	-79.6087	-227.493	-317.8773	106	28	10	10602	4	27	21

Interface residues

• A-B: ALA128B, ALA180A, ALA180B, ALA18B, ALA192A, ALA192B, ALA24B, ALA26B, ALA7A, ALA8A, ALA94B, ALA96B, ARG103B, ARG105B, ARG149B, ARG187A, ARG187B, ARG48B, ARG4A, ARG92B, ASP108A, ASP15A, GLN112A, GLN11A, GLN181A, GLN181B, GLN190A, GLN190B, GLN19A, GLN45B, GLU110A, GLU164A, GLU168A, GLU177A, GLU177B, GLU178A, GLU70B, GLY111A, GLY150B, GLY152B, GLY171A, GLY191A, GLY191B, GLY193A, GLY193B, GLY20B, GLY27B, GLY43B, HIS100B, HIS113A, HIS151B, HIS186A, HIS186B, HIS88B, HIS90B, ILE182A, ILE182B, ILE22B, LEU101B, LEU104B, LEU107A, LEU107B, LEU109A, LEU148B, LEU167A, LEU172A, LEU176A, LEU183A, LEU183B, LEU184A, LEU184B, LEU188A, LEU188B, LEU21A, LEU21B, LEU97B, LYS159A, PHE17B, PHE99B, PRO106A, PRO91B, SER179A, SER179B, SER23B, SER98B, THR174A, THR175A, THR25B, TRP189A, TRP189B, TYR114A, TYR170A, TYR185A, TYR185B, VAL93B, VAL95B
• A-C: ALA192A, LEU184A, LEU184C, LEU188A, LEU188C, TYR185A, TYR185C
• A-D: ALA180A, ALA180D, ALA18A, ALA18D, ALA192A, ALA192D, ALA24A, ALA26A, ALA47A, ALA7D, ALA89A, ALA8D, ALA94A, ALA96A, ARG105A, ARG10D, ARG149A, ARG187A, ARG187D, ARG48A, ARG92A, ASP108D, ASP15A, ASP15D, GLN112D, GLN11D, GLN181A, GLN181D, GLN190A, GLN190D, GLN19A, GLN19D, GLN45A, GLU110D, GLU14A, GLU14D, GLU164D, GLU168D, GLU177A, GLU177D, GLU178D, GLU70A, GLY111D, GLY13D, GLY150A, GLY152A, GLY171D, GLY191A, GLY191D, GLY193A, GLY193D, GLY20A, GLY27A, GLY43A, HIS100A, HIS113D, HIS151A, HIS186A, HIS186D, HIS88A, HIS90A, ILE182A, ILE182D, ILE22A, LEU101A, LEU104A, LEU107A, LEU107D, LEU109D, LEU148A, LEU167D, LEU16A, LEU16D, LEU172D, LEU176D, LEU183A, LEU183D, LEU184A, LEU184D, LEU188A, LEU188D, LEU21A, LEU21D, LEU97A, LYS124A, LYS159D, LYS46A, MET173D, PHE17A, PHE17D, PHE99A, PHE9D, PRO106D, PRO123A, PRO194D, PRO91A, SER179A, SER179D, SER23A, SER42A, SER98A, THR174D, THR175D, THR25A, TRP189A, TRP189D, TYR114D, TYR170D, TYR185A, TYR185D, VAL12D, VAL44A, VAL69A, VAL93A, VAL93D, VAL95A
• A-G: ALA122G, ARG103G, GLU52A, SER102G, THR50A
• B-C: ALA180B, ALA180C, ALA18B, ALA18C, ALA192B, ALA192C, ALA24C, ALA26C, ALA47C, ALA7B, ALA89C, ALA8B, ALA94C, ALA96C, ARG105C, ARG10B, ARG149C, ARG187B, ARG187C, ARG48C, ARG92C, ASP108B, ASP15B, GLN112B, GLN11B, GLN181B, GLN181C, GLN190B, GLN190C, GLN19B, GLN19C, GLN45C, GLU110B, GLU14B, GLU163B, GLU164B, GLU168B, GLU177B, GLU177C, GLU178B, GLU70C, GLY111B, GLY13B, GLY150C, GLY152C, GLY171B, GLY191B, GLY191C, GLY193B, GLY20C, GLY27C, GLY43C, HIS100C, HIS113B, HIS151C, HIS186B, HIS186C, HIS88C, HIS90C, ILE182B, ILE182C, ILE22C, LEU101C, LEU104C, LEU107B, LEU107C, LEU109B, LEU115B, LEU148C, LEU166B, LEU167B, LEU16B, LEU16C, LEU172B, LEU176B, LEU183B, LEU183C, LEU184B, LEU184C, LEU188B, LEU188C, LEU21B, LEU21C, LEU97C, LYS159B, LYS46C, MET173B, PHE17C, PHE99C, PRO106B, PRO194B, PRO91C, SER179B, SER23C, SER98C, THR174B, THR175B, THR25C, TRP189B, TRP189C, TYR114B, TYR170B, TYR185B, TYR185C, VAL12B, VAL44C, VAL69C, VAL93B, VAL93C, VAL95C
• B-D: ALA192B, ALA192D, LEU184B, LEU188B, LEU188D
• C-D: ALA128D, ALA180C, ALA180D, ALA18D, ALA192C, ALA192D, ALA24D, ALA26D, ALA7C, ALA89D, ALA94D, ALA96D, ARG103D, ARG105D, ARG149D, ARG187C, ARG187D, ARG48D, ARG4C, ARG92D, ASN28D, ASP108C, ASP15C, GLN112C, GLN11C, GLN181C, GLN181D, GLN190C, GLN190D, GLN19C, GLN45D, GLU110C, GLU164C, GLU168C, GLU177C, GLU177D, GLU178C, GLU70D, GLY111C, GLY150D, GLY152D, GLY171C, GLY191C, GLY191D, GLY193C, GLY20D, GLY27D, GLY43D, HIS100D, HIS113C, HIS151D, HIS186C, HIS186D, HIS88D, HIS90D, ILE182C, ILE182D, ILE22D, LEU101D, LEU104D, LEU107C, LEU107D, LEU109C, LEU148D, LEU167C, LEU172C, LEU176C, LEU183C, LEU183D, LEU184C, LEU184D, LEU188C, LEU188D, LEU21C, LEU21D, LEU97D, LYS159C, LYS46D, MET173C, PHE154D, PHE17D, PHE99D, PRO106C, PRO123D, PRO91D, SER179C, SER179D, SER23D, SER98D, THR174C, THR175C, THR25D, TRP189C, TRP189D, TYR114C, TYR170C, TYR185C, TYR185D, VAL93C, VAL93D, VAL95D
• D-F: ALA161D, GLU160D, LYS34D, MET1D, PRO162D, PRO194F
• D-G: ALA3D, ALA7D, ARG103G, ARG105G, ARG187G, ARG4D, GLN190G, GLY191G, HIS186G, LEU101G, LYS34D, MET1D, SER102G, TYR6D
• E-F: ALA128F, ALA180E, ALA180F, ALA18E, ALA18F, ALA192F, ALA24F, ALA26F, ALA47F, ALA89F, ALA94F, ALA96F, ARG105F, ARG10E, ARG149F, ARG187E, ARG187F, ARG48F, ARG92F, ASP108E, ASP15E, GLN112E, GLN11E, GLN181E, GLN181F, GLN190E, GLN19E, GLN19F, GLN45F, GLU110E, GLU14E, GLU164E, GLU177E, GLU177F, GLU178E, GLU70F, GLY111E, GLY150F, GLY152F, GLY171E, GLY191E, GLY191F, GLY20F, GLY27F, GLY43F, HIS100F, HIS113E, HIS151F, HIS186E, HIS186F, HIS88F, HIS90F, ILE182E, ILE182F, ILE22F, LEU101F, LEU104F, LEU107E, LEU107F, LEU109E, LEU148F, LEU167E, LEU16E, LEU183E, LEU183F, LEU184E, LEU184F, LEU188E, LEU188F, LEU21E, LEU21F, LEU97F, LYS159E, MET173E, PHE17F, PHE99F, PRO106E, PRO123F, PRO91F, SER179E, SER179F, SER23F, SER98F, THR174E, THR175E, THR25F, TRP189E, TRP189F, TYR114E, TYR170E, TYR185E, TYR185F, VAL44F, VAL93E, VAL93F, VAL95F
• E-G: LEU184E, LEU184G, LEU188E, LEU188G, TYR185G
• E-H: ALA128E, ALA180E, ALA180H, ALA18E, ALA18H, ALA24E, ALA26E, ALA47E, ALA7H, ALA8H, ALA94E, ALA96E, ARG103E, ARG10H, ARG149E, ARG187E, ARG187H, ARG48E, ARG4H, ARG92E, ASP108H, ASP15H, GLN112H, GLN11H, GLN181E, GLN181H, GLN190H, GLN19E, GLN19H, GLN45E, GLU110H, GLU14H, GLU163H, GLU164H, GLU168H, GLU177H, GLU178H, GLY111H, GLY150E, GLY152E, GLY171H, GLY191E, GLY191H, GLY20E, GLY43E, HIS100E, HIS113H, HIS151E, HIS186E, HIS186H, HIS90E, ILE182H, ILE22E, LEU101E, LEU104E, LEU107H, LEU109H, LEU148E, LEU167H, LEU172H, LEU176H, LEU183E, LEU183H, LEU184E, LEU184H, LEU188E, LEU188H, LEU21H, LEU97E, LYS124E, LYS159H, MET173H, PHE17E, PHE99E, PRO106H, PRO123E, PRO91E, SER179H, SER23E, SER98E, THR174H, THR175H, THR25E, TRP189H, TYR114H, TYR170H, TYR185E, TYR185H, VAL12H, VAL44E, VAL93E, VAL95E
• F-G: ALA128G, ALA180F, ALA180G, ALA18F, ALA18G, ALA192F, ALA192G, ALA24G, ALA26G, ALA47F, ALA47G, ALA7F, ALA89G, ALA94G, ALA96G, ARG103G, ARG105G, ARG10F, ARG149G, ARG187F, ARG187G, ARG48G, ARG92G, ASP108F, ASP15F, GLN112F, GLN11F, GLN181F, GLN181G, GLN190F, GLN190G, GLN19F, GLN19G, GLN45G, GLU110F, GLU14F, GLU163F, GLU164F, GLU168F, GLU177F, GLU177G, GLU178F, GLU70G, GLY111F, GLY13F, GLY150G, GLY152G, GLY171F, GLY191F, GLY191G, GLY193F, GLY20G, GLY27G, GLY43G, HIS100G, HIS113F, HIS151G, HIS186F, HIS186G, HIS88G, HIS90G, ILE182F, ILE182G, ILE22G, LEU101G, LEU104G, LEU107F, LEU107G, LEU109F, LEU148G, LEU166F, LEU167F, LEU16F, LEU16G, LEU172F, LEU176F, LEU183F, LEU183G, LEU184F, LEU184G, LEU188F, LEU188G, LEU21F, LEU21G, LEU97G, LYS159F, LYS46G, MET173F, PHE17G, PHE99G, PRO106F, PRO194F, PRO91G, SER179F, SER179G, SER23G, SER42G, SER98G, THR129G, THR174F, THR175F, THR25G, TRP189F, TYR114F, TYR170F, TYR185F, TYR185G, VAL12F, VAL44G, VAL69G, VAL93F, VAL93G, VAL95G
• F-H: ALA192F, LEU184H, LEU188F, LEU188H, TYR185F, TYR185H
• G-H: ALA169G, ALA180G, ALA180H, ALA18G, ALA18H, ALA192G, ALA24H, ALA26H, ALA47H, ALA7G, ALA89H, ALA8G, ALA94H, ALA96H, ARG103H, ARG105H, ARG10G, ARG149H, ARG187G, ARG187H, ARG48H, ARG92H, ASP108G, ASP15G, GLN112G, GLN11G, GLN181G, GLN181H, GLN190G, GLN19G, GLN19H, GLN45H, GLU110G, GLU14G, GLU164G, GLU168G, GLU177G, GLU177H, GLU178G, GLU70H, GLY111G, GLY13G, GLY150H, GLY152H, GLY171G, GLY191G, GLY191H, GLY20H, GLY27H, GLY43H, HIS100H, HIS113G, HIS151H, HIS186G, HIS186H, HIS88H, HIS90H, ILE182G, ILE182H, ILE22H, LEU101H, LEU104H, LEU107G, LEU107H, LEU109G, LEU148H, LEU166G, LEU167G, LEU16G, LEU16H, LEU172G, LEU176G, LEU183G, LEU183H, LEU184G, LEU184H, LEU188G, LEU188H, LEU21G, LEU21H, LEU97H, LYS159G, MET173G, PHE17H, PHE99H, PRO106G, PRO123H, PRO91H, SER179G, SER179H, SER23H, SER98H, THR174G, THR175G, THR25H, TRP189G, TRP189H, TYR114G, TYR170G, TYR185G, TYR185H, VAL12G, VAL44H, VAL69H, VAL93H, VAL95H