3S1W

transaldolase variant lys86ala from thermoplasma acidophilum in complex with glycerol and citrate

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 163
  • Norm. En. per Res.: -3.9593
• Hub Node: A(2)

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	-43.7655	-29.3759	-533.303	-606.4444	158	31	19	21742	1	37	28
A-E	-44.4454	-32.9207	-544.898	-622.2641	161	26	19	22285	3	36	29
B-C	-57.0536	-32.6786	-555.631	-645.3632	163	19	19	22713	3	35	30
C-D	-49.5076	-33.8806	-549.86	-633.2482	162	22	20	22579	3	37	31
D-E	-44.4583	-40.3008	-547.257	-632.0161	161	25	19	22223	3	38	31

Interface residues

• A-B: ALA118A, ALA121A, ALA122A, ALA124A, ALA166A, ALA178B, ALA182B, ALA206B, ALA36A, ALA73A, ALA83A, ALA86A, ARG135A, ARG151A, ARG151B, ARG169A, ARG176B, ARG47A, ARG74A, ARG95A, ASN114A, ASN155B, ASN156A, ASN170B, ASN18B, ASN28A, ASN38A, ASP137A, ASP138A, ASP148A, ASP183B, ASP202B, ASP211B, ASP218B, ASP23B, ASP44A, ASP6A, ASP92A, CYS109A, GLN117A, GLN145A, GLU141A, GLU203B, GLU210B, GLU35A, GLU60A, GLU71A, GLU72A, GLU91A, GLY134A, GLY16B, GLY181B, GLY204B, GLY20B, GLY219B, GLY43A, GLY68A, GLY78A, GLY93A, HIS173B, HIS198B, HIS77A, ILE116A, ILE139A, ILE146A, ILE150A, ILE153A, ILE158A, ILE159A, ILE163B, ILE172B, ILE180B, ILE21B, ILE222B, ILE32A, ILE3B, ILE45A, ILE46A, ILE76A, ILE87A, LEU111A, LEU119A, LEU120A, LEU136A, LEU175B, LEU192B, LEU195B, LEU205B, LEU209B, LEU221B, LEU223B, LEU31A, LEU50A, LEU79A, LEU94A, LYS123A, LYS193B, LYS197B, LYS200B, LYS207B, LYS213B, LYS214B, LYS220B, LYS2B, LYS34A, LYS40A, LYS41A, LYS75A, LYS98A, MET149A, MET196B, MET1B, MET69A, MET89A, PHE113A, PHE132A, PHE154A, PHE208B, PHE4B, PRO115A, PRO171B, PRO199B, PRO217B, PRO29A, PRO88A, SER167A, SER177B, SER194B, SER216B, SER33A, SER63A, THR110A, THR152A, THR15B, THR201B, THR27A, THR30A, THR64A, THR90A, TRP19B, TRP212B, TYR157A, TYR42A, VAL112A, VAL174B, VAL179B, VAL17B, VAL184B, VAL185B, VAL187B, VAL191B, VAL215B, VAL22B, VAL37A, VAL59A, VAL61A, VAL62A, VAL85A
• A-E: ALA118E, ALA121E, ALA122E, ALA124E, ALA166E, ALA178A, ALA182A, ALA206A, ALA36E, ALA73E, ALA83E, ALA86E, ALA8E, ARG135E, ARG151A, ARG151E, ARG169E, ARG176A, ARG47E, ARG74E, ARG95E, ASN114E, ASN155A, ASN156E, ASN170A, ASN18A, ASN28E, ASP137E, ASP138E, ASP148E, ASP183A, ASP202A, ASP211A, ASP218A, ASP23A, ASP44E, ASP54A, ASP92E, CYS109E, GLN117E, GLN145E, GLU141E, GLU203A, GLU210A, GLU35E, GLU60E, GLU71E, GLU72E, GLU91E, GLY134E, GLY140E, GLY181A, GLY204A, GLY20A, GLY219A, GLY43E, GLY68E, GLY78E, GLY93E, HIS173A, HIS198A, HIS77E, ILE116E, ILE139E, ILE146E, ILE150E, ILE153E, ILE158E, ILE159E, ILE163A, ILE172A, ILE180A, ILE21A, ILE222A, ILE32E, ILE3A, ILE45E, ILE46E, ILE76E, ILE87E, LEU111E, LEU119E, LEU120E, LEU136E, LEU175A, LEU192A, LEU195A, LEU205A, LEU209A, LEU221A, LEU223A, LEU31E, LEU50E, LEU79E, LEU94E, LYS123E, LYS193A, LYS197A, LYS200A, LYS207A, LYS213A, LYS214A, LYS220A, LYS2A, LYS34E, LYS40E, LYS41E, LYS65E, LYS75E, LYS98E, MET149E, MET196A, MET1A, MET69E, MET89E, PHE113E, PHE132E, PHE154E, PHE189A, PHE208A, PHE4A, PRO115E, PRO171A, PRO199A, PRO217A, PRO29E, PRO88E, SER167E, SER177A, SER194A, SER216A, SER33E, SER63E, THR110E, THR152E, THR15A, THR201A, THR27E, THR30E, THR64E, THR90E, TRP19A, TRP212A, TYR157E, TYR42E, VAL112E, VAL165A, VAL174A, VAL179A, VAL17A, VAL184A, VAL185A, VAL187A, VAL191A, VAL215A, VAL22A, VAL37E, VAL59E, VAL61E, VAL62E, VAL85E
• B-C: ALA118B, ALA121B, ALA122B, ALA124B, ALA166B, ALA178C, ALA182C, ALA206C, ALA36B, ALA73B, ALA83B, ALA86B, ALA8B, ALA96B, ARG135B, ARG151B, ARG151C, ARG169B, ARG176C, ARG47B, ARG74B, ARG95B, ASN114B, ASN155C, ASN156B, ASN170C, ASN18C, ASN28B, ASP137B, ASP138B, ASP148B, ASP183C, ASP202C, ASP211C, ASP218C, ASP23C, ASP44B, ASP54C, ASP6B, ASP92B, CYS109B, GLN117B, GLN145B, GLU141B, GLU203C, GLU210C, GLU35B, GLU60B, GLU71B, GLU72B, GLU91B, GLY134B, GLY140B, GLY16C, GLY181C, GLY204C, GLY20C, GLY219C, GLY39B, GLY43B, GLY68B, GLY78B, GLY93B, HIS173C, HIS198C, HIS77B, ILE116B, ILE139B, ILE146B, ILE150B, ILE153B, ILE158B, ILE159B, ILE163C, ILE172C, ILE180C, ILE21C, ILE222C, ILE32B, ILE3C, ILE45B, ILE46B, ILE76B, ILE87B, LEU111B, LEU119B, LEU120B, LEU136B, LEU175C, LEU192C, LEU195C, LEU205C, LEU209C, LEU221C, LEU223C, LEU31B, LEU50B, LEU79B, LEU94B, LYS123B, LYS193C, LYS197C, LYS200C, LYS207C, LYS213C, LYS214C, LYS220C, LYS2C, LYS34B, LYS40B, LYS41B, LYS65B, LYS75B, LYS98B, MET149B, MET196C, MET1C, MET69B, MET89B, PHE113B, PHE132B, PHE154B, PHE189C, PHE208C, PHE4C, PRO115B, PRO171C, PRO199C, PRO217C, PRO29B, PRO88B, SER177C, SER194C, SER216C, SER33B, SER63B, THR110B, THR152B, THR15C, THR201C, THR27B, THR30B, THR64B, THR90B, TRP19C, TRP212C, TYR157B, TYR42B, VAL112B, VAL174C, VAL179C, VAL17C, VAL184C, VAL185C, VAL187C, VAL191C, VAL215C, VAL22C, VAL37B, VAL59B, VAL61B, VAL62B, VAL85B
• C-D: ALA118C, ALA121C, ALA122C, ALA124C, ALA166C, ALA178D, ALA182D, ALA206D, ALA36C, ALA73C, ALA83C, ALA86C, ALA8C, ALA96C, ARG135C, ARG151C, ARG151D, ARG169C, ARG176D, ARG47C, ARG74C, ARG95C, ASN114C, ASN155D, ASN156C, ASN170D, ASN18D, ASN28C, ASP137C, ASP138C, ASP148C, ASP183D, ASP202D, ASP211D, ASP218D, ASP23D, ASP44C, ASP6C, ASP92C, CYS109C, GLN117C, GLN145C, GLU141C, GLU203D, GLU210D, GLU35C, GLU60C, GLU71C, GLU72C, GLU91C, GLY134C, GLY16D, GLY181D, GLY204D, GLY20D, GLY219D, GLY43C, GLY68C, GLY78C, GLY93C, HIS173D, HIS198D, HIS77C, ILE116C, ILE139C, ILE146C, ILE150C, ILE153C, ILE158C, ILE159C, ILE163D, ILE172D, ILE180D, ILE21D, ILE222D, ILE32C, ILE3D, ILE45C, ILE46C, ILE76C, ILE87C, LEU111C, LEU119C, LEU120C, LEU136C, LEU175D, LEU192D, LEU195D, LEU205D, LEU209D, LEU221D, LEU223D, LEU31C, LEU50C, LEU79C, LEU94C, LYS123C, LYS193D, LYS197D, LYS200D, LYS207D, LYS213D, LYS214D, LYS220D, LYS2D, LYS34C, LYS40C, LYS41C, LYS65C, LYS75C, LYS98C, MET149C, MET196D, MET1D, MET69C, MET89C, PHE113C, PHE132C, PHE154C, PHE189D, PHE208D, PHE4D, PRO115C, PRO171D, PRO199D, PRO217D, PRO29C, PRO88C, SER167C, SER177D, SER194D, SER216D, SER33C, SER63C, THR110C, THR152C, THR15D, THR201D, THR27C, THR30C, THR64C, THR90C, TRP19D, TRP212D, TYR157C, TYR42C, VAL112C, VAL165D, VAL174D, VAL179D, VAL17D, VAL184D, VAL185D, VAL187D, VAL191D, VAL215D, VAL22D, VAL37C, VAL59C, VAL61C, VAL62C, VAL85C
• D-E: ALA118D, ALA121D, ALA122D, ALA124D, ALA166D, ALA178E, ALA182E, ALA206E, ALA36D, ALA73D, ALA83D, ALA86D, ALA8D, ALA96D, ARG135D, ARG151D, ARG151E, ARG169D, ARG176E, ARG47D, ARG74D, ARG95D, ASN114D, ASN155E, ASN156D, ASN170E, ASN18E, ASN28D, ASP137D, ASP138D, ASP148D, ASP183E, ASP202E, ASP211E, ASP218E, ASP23E, ASP44D, ASP54E, ASP6D, ASP92D, GLN117D, GLN145D, GLU141D, GLU203E, GLU210E, GLU35D, GLU60D, GLU71D, GLU72D, GLU91D, GLY134D, GLY140D, GLY181E, GLY204E, GLY20E, GLY219E, GLY43D, GLY68D, GLY78D, GLY93D, HIS173E, HIS198E, HIS77D, ILE116D, ILE139D, ILE146D, ILE150D, ILE153D, ILE158D, ILE159D, ILE163E, ILE172E, ILE180E, ILE21E, ILE222E, ILE32D, ILE3E, ILE45D, ILE46D, ILE76D, ILE87D, LEU111D, LEU119D, LEU120D, LEU136D, LEU175E, LEU192E, LEU195E, LEU205E, LEU209E, LEU221E, LEU223E, LEU31D, LEU50D, LEU79D, LEU94D, LYS123D, LYS193E, LYS197E, LYS200E, LYS207E, LYS213E, LYS214E, LYS220E, LYS2E, LYS34D, LYS40D, LYS41D, LYS75D, LYS98D, MET149D, MET196E, MET1E, MET69D, MET89D, PHE113D, PHE132D, PHE154D, PHE189E, PHE208E, PHE4E, PRO115D, PRO171E, PRO199E, PRO217E, PRO29D, PRO88D, SER167D, SER177E, SER194E, SER216E, SER33D, SER63D, THR110D, THR152D, THR15E, THR201E, THR27D, THR30D, THR64D, THR90D, TRP19E, TRP212E, TYR157D, TYR42D, VAL112D, VAL165E, VAL174E, VAL179E, VAL17E, VAL184E, VAL185E, VAL187E, VAL191E, VAL215E, VAL22E, VAL37D, VAL59D, VAL61D, VAL62D, VAL85D