3KO1

cystal structure of thermosome from acidianus tengchongensis strain s5

• Total interactions analyzed: 36
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 93
  • Norm. En. per Res.: -3.5308
• 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	-54.5718	-22.4716	-203.341	-280.3843	94	32	5	9253	1	28	33
A-I	-67.6493	-30.8594	-209.767	-308.2757	92	23	4	9331	2	31	29
B-C	-18.7533	-28.495	-161.61	-208.8583	86	11	3	8020	2	29	27
C-D	-61.6831	-25.8357	-191.284	-278.8029	89	11	4	8543	1	28	25
D-E	-87.9633	-28.3265	-212.072	-328.3617	93	32	4	9635	1	30	32
E-F	-56.0457	-35.2454	-201.477	-292.7681	95	43	4	10063	3	33	38
F-G	-102.8029	-27.814	-201.578	-332.1949	99	49	4	10119	1	32	34
G-H	-50.3603	-22.8134	-180.962	-254.1357	86	17	4	8144	1	27	24
H-I	-55.4868	-26.8179	-181.512	-263.8167	86	12	4	8441	1	28	25

Interface residues

• A-B: ALA173B, ALA175B, ALA31A, ALA45B, ALA462B, ALA491B, ALA532A, ALA85A, ALA86A, ARG338A, ARG389B, ARG525A, ARG53B, ASN35A, ASN461B, ASN70B, ASP465B, ASP527A, ASP528A, ASP56B, ASP61B, ASP65B, ASP77B, ASP80B, GLN82A, GLN91A, GLN96A, GLU388B, GLU440A, GLU44B, GLU460B, GLU518A, GLY134A, GLY28A, GLY463B, GLY54B, GLY64B, GLY95A, HIS127A, HIS83A, ILE130A, ILE131A, ILE132A, ILE459B, ILE526A, ILE66B, ILE68B, ILE75B, ILE92A, LEU122A, LEU387B, LEU390B, LEU458B, LEU46B, LEU489B, LEU522A, LEU524A, LEU59B, LEU63B, LEU88A, LEU89A, LYS136A, LYS137A, LYS172B, LYS439A, LYS47B, LYS57B, LYS78B, LYS87A, MET55B, MET58B, MET79B, PHE464B, PRO128A, PRO235B, PRO52B, PRO84A, SER133A, SER48B, SER531A, SER62B, THR129A, THR49B, THR521A, THR67B, THR69B, TYR490B, VAL126A, VAL174B, VAL32A, VAL523A, VAL529A, VAL530A, VAL60B
• A-I: ALA173A, ALA175A, ALA31I, ALA45A, ALA462A, ALA491A, ALA519I, ALA532I, ALA85I, ALA86I, ARG338I, ARG389A, ARG525I, ARG53A, ASN35I, ASN461A, ASN70A, ASP465A, ASP527I, ASP528I, ASP56A, ASP61A, ASP65A, ASP80A, GLN82I, GLN91I, GLN96I, GLU388A, GLU440I, GLU44A, GLU460A, GLU518I, GLY134I, GLY28I, GLY463A, GLY54A, GLY64A, GLY95I, HIS127I, HIS83I, ILE130I, ILE131I, ILE132I, ILE459A, ILE526I, ILE66A, ILE68A, ILE75A, ILE92I, LEU122I, LEU387A, LEU390A, LEU46A, LEU489A, LEU522I, LEU524I, LEU59A, LEU63A, LEU88I, LEU89I, LYS136I, LYS137I, LYS172A, LYS439I, LYS47A, LYS57A, LYS78A, LYS87I, MET55A, MET58A, MET79A, PHE464A, PRO128I, PRO235A, PRO84I, SER133I, SER48A, SER531I, SER62A, THR129I, THR49A, THR521I, THR67A, THR69A, TYR490A, VAL126I, VAL174A, VAL32I, VAL523I, VAL529I, VAL530I, VAL60A
• B-C: ALA173C, ALA175C, ALA45C, ALA462C, ALA491C, ALA532B, ALA85B, ALA86B, ARG389C, ARG525B, ARG53C, ASN35B, ASN461C, ASN70C, ASP465C, ASP527B, ASP528B, ASP56C, ASP61C, ASP65C, ASP80C, GLN82B, GLN91B, GLN96B, GLU388C, GLU440B, GLU44C, GLU460C, GLU518B, GLY134B, GLY28B, GLY463C, GLY54C, GLY64C, GLY95B, HIS127B, HIS83B, ILE130B, ILE131B, ILE132B, ILE459C, ILE526B, ILE66C, ILE68C, ILE75C, ILE92B, LEU122B, LEU387C, LEU390C, LEU489C, LEU522B, LEU524B, LEU59C, LEU63C, LEU88B, LEU89B, LYS137B, LYS172C, LYS439B, LYS47C, LYS57C, LYS78C, LYS87B, MET55C, MET58C, MET79C, PHE464C, PRO128B, PRO84B, SER133B, SER48C, SER531B, SER62C, THR129B, THR49C, THR521B, THR67C, THR69C, TYR490C, VAL126B, VAL174C, VAL32B, VAL523B, VAL529B, VAL530B, VAL60C
• C-D: ALA173D, ALA175D, ALA31C, ALA45D, ALA462D, ALA491D, ALA532C, ALA85C, ALA86C, ARG338C, ARG389D, ARG525C, ARG53D, ASN35C, ASN461D, ASN70D, ASP465D, ASP527C, ASP528C, ASP56D, ASP61D, ASP65D, ASP80D, GLN82C, GLN91C, GLN96C, GLU388D, GLU440C, GLU44D, GLU460D, GLU518C, GLY134C, GLY28C, GLY463D, GLY54D, GLY64D, GLY95C, HIS127C, HIS83C, ILE130C, ILE131C, ILE132C, ILE459D, ILE526C, ILE66D, ILE68D, ILE75D, ILE92C, LEU122C, LEU387D, LEU390D, LEU489D, LEU522C, LEU524C, LEU59D, LEU63D, LEU88C, LEU89C, LYS137C, LYS172D, LYS439C, LYS47D, LYS57D, LYS78D, LYS87C, MET55D, MET58D, MET79D, PHE464D, PRO128C, PRO235D, PRO84C, SER133C, SER48D, SER531C, SER62D, THR129C, THR49D, THR521C, THR67D, THR69D, TYR490D, VAL126C, VAL174D, VAL32C, VAL523C, VAL529C, VAL530C, VAL60D
• D-E: ALA173E, ALA175E, ALA31D, ALA45E, ALA462E, ALA491E, ALA519D, ALA532D, ALA85D, ALA86D, ARG338D, ARG389E, ARG525D, ARG53E, ASN35D, ASN461E, ASN70E, ASP465E, ASP527D, ASP528D, ASP56E, ASP61E, ASP65E, ASP80E, GLN82D, GLN91D, GLN96D, GLU388E, GLU393E, GLU440D, GLU44E, GLU460E, GLU518D, GLY134D, GLY28D, GLY463E, GLY54E, GLY64E, GLY95D, HIS127D, HIS83D, ILE130D, ILE131D, ILE132D, ILE459E, ILE526D, ILE66E, ILE68E, ILE75E, ILE92D, LEU122D, LEU387E, LEU390E, LEU46E, LEU489E, LEU522D, LEU524D, LEU59E, LEU63E, LEU88D, LEU89D, LYS136D, LYS137D, LYS172E, LYS439D, LYS47E, LYS57E, LYS78E, LYS87D, MET55E, MET58E, MET79E, PHE464E, PRO128D, PRO235E, PRO84D, SER133D, SER48E, SER531D, SER62E, THR129D, THR49E, THR521D, THR67E, THR69E, TYR490E, VAL126D, VAL174E, VAL32D, VAL523D, VAL529D, VAL530D, VAL60E
• E-F: ALA173F, ALA175F, ALA31E, ALA45F, ALA462F, ALA491F, ALA519E, ALA532E, ALA85E, ALA86E, ARG389F, ARG525E, ARG53F, ASN35E, ASN461F, ASN70F, ASP465F, ASP527E, ASP528E, ASP56F, ASP61F, ASP65F, ASP80F, GLN82E, GLN91E, GLN96E, GLU388F, GLU393F, GLU440E, GLU44F, GLU460F, GLU518E, GLY134E, GLY28E, GLY438E, GLY463F, GLY54F, GLY64F, GLY95E, HIS127E, HIS83E, ILE130E, ILE131E, ILE132E, ILE459F, ILE526E, ILE66F, ILE68F, ILE75F, ILE92E, LEU122E, LEU387F, LEU390F, LEU46F, LEU489F, LEU522E, LEU524E, LEU59F, LEU63F, LEU88E, LEU89E, LYS136E, LYS137E, LYS172F, LYS439E, LYS47F, LYS514E, LYS57F, LYS78F, LYS87E, MET55F, MET58F, MET79F, PHE464F, PRO128E, PRO52F, PRO84E, SER133E, SER216F, SER48F, SER531E, SER62F, THR129E, THR49F, THR521E, THR67F, THR69F, TYR490F, VAL126E, VAL174F, VAL32E, VAL523E, VAL529E, VAL530E, VAL60F
• F-G: ALA173G, ALA175G, ALA31F, ALA45G, ALA462G, ALA491G, ALA519F, ALA532F, ALA85F, ALA86F, ARG338F, ARG389G, ARG525F, ARG53G, ASN35F, ASN461G, ASN70G, ASP125F, ASP465G, ASP527F, ASP528F, ASP56G, ASP61G, ASP65G, ASP77G, ASP80G, GLN82F, GLN91F, GLN96F, GLU388G, GLU393G, GLU440F, GLU44G, GLU460G, GLU518F, GLY134F, GLY28F, GLY463G, GLY54G, GLY64G, GLY95F, HIS127F, HIS83F, ILE130F, ILE131F, ILE132F, ILE459G, ILE526F, ILE66G, ILE68G, ILE75G, ILE92F, LEU122F, LEU387G, LEU390G, LEU46G, LEU489G, LEU522F, LEU524F, LEU59G, LEU63G, LEU76G, LEU88F, LEU89F, LYS136F, LYS137F, LYS172G, LYS29F, LYS439F, LYS47G, LYS57G, LYS78G, LYS87F, MET55G, MET58G, MET79G, PHE464G, PRO128F, PRO235G, PRO52G, PRO84F, SER133F, SER171G, SER48G, SER531F, SER62G, THR129F, THR49G, THR521F, THR67G, THR69G, TYR490G, VAL126F, VAL174G, VAL32F, VAL523F, VAL529F, VAL530F, VAL60G
• G-H: ALA173H, ALA175H, ALA45H, ALA462H, ALA491H, ALA532G, ALA85G, ALA86G, ARG338G, ARG389H, ARG525G, ARG53H, ASN35G, ASN461H, ASN70H, ASP465H, ASP527G, ASP528G, ASP56H, ASP61H, ASP65H, ASP80H, GLN82G, GLN91G, GLU388H, GLU440G, GLU44H, GLU460H, GLU518G, GLY134G, GLY28G, GLY463H, GLY54H, GLY64H, GLY95G, HIS127G, HIS83G, ILE130G, ILE131G, ILE132G, ILE459H, ILE526G, ILE66H, ILE68H, ILE75H, ILE92G, LEU122G, LEU387H, LEU390H, LEU489H, LEU522G, LEU524G, LEU59H, LEU63H, LEU88G, LEU89G, LYS137G, LYS172H, LYS439G, LYS47H, LYS57H, LYS78H, LYS87G, MET55H, MET58H, MET79H, PHE464H, PRO128G, PRO235H, PRO84G, SER133G, SER48H, SER531G, SER62H, THR129G, THR49H, THR67H, THR69H, TYR490H, VAL126G, VAL174H, VAL32G, VAL523G, VAL529G, VAL530G, VAL60H
• H-I: ALA173I, ALA175I, ALA31H, ALA45I, ALA462I, ALA519H, ALA532H, ALA85H, ALA86H, ARG389I, ARG525H, ARG53I, ASN35H, ASN461I, ASN70I, ASP465I, ASP527H, ASP528H, ASP56I, ASP61I, ASP65I, ASP80I, GLN82H, GLN91H, GLN96H, GLU388I, GLU440H, GLU44I, GLU460I, GLU518H, GLY134H, GLY28H, GLY463I, GLY54I, GLY64I, GLY95H, HIS127H, HIS83H, ILE130H, ILE131H, ILE132H, ILE459I, ILE526H, ILE66I, ILE68I, ILE75I, ILE92H, LEU122H, LEU387I, LEU390I, LEU489I, LEU522H, LEU524H, LEU59I, LEU63I, LEU88H, LEU89H, LYS137H, LYS172I, LYS439H, LYS47I, LYS57I, LYS78I, LYS87H, MET55I, MET58I, MET79I, PHE464I, PRO128H, PRO84H, SER133H, SER48I, SER531H, SER62I, THR129H, THR49I, THR67I, THR69I, TYR490I, VAL126H, VAL174I, VAL32H, VAL523H, VAL529H, VAL530H, VAL60I