2EIU

crystal structure of a putative protein (aq1627) from aquifex aeolicus

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 29
  • Norm. En. per Res.: -1.0642
• Hub Node: A(3)

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-C	0.0	-1.838	-29.024	-30.862	29	0	0	1328	0	11	8
A-F	-27.6144	14.2836	481.163	467.8323	101	9	16	9993	0	13	4
A-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	1
C-E	-21.7082	18.7085	481.536	478.5362	102	8	16	10402	0	13	6
C-F	0.0	-8.2541	-13.3755	-21.6296	27	0	0	723	1	9	8
C-G	0.0	12.4613	-11.8568	0.6045	34	0	0	934	0	17	14
D-G	-22.3401	-9.0783	488.865	457.4466	104	12	16	10956	1	12	7
E-G	0.0	0.0	-0.1098	-0.1098	2	0	0	25	0	2	1

Interface residues

• A-C: ASN53A, ASP77C, GLN83A, GLN93C, GLU51A, GLU86A, GLU8C, GLU91C, GLY75C, GLY76C, GLY85A, GLY9C, ILE78C, ILE87A, LEU82A, LEU95C, LYS10C, LYS79C, LYS84A, PHE81C, PHE92C, PRO15A, PRO50A, PRO94C, SER96C, THR52A, TRP36C, TYR88A, VAL14A
• A-F: ALA22A, ALA22F, ALA58A, ALA58F, ALA66A, ALA66F, ARG27A, ASN17A, ASN17F, ASN53A, ASN53F, ASN65A, ASN65F, ASN71F, ASP120A, ASP120F, CYS126A, CYS126F, GLU119A, GLU119F, GLU23A, GLU23F, GLU51A, GLU51F, GLU86A, GLU86F, GLY118A, GLY118F, GLY122A, GLY122F, GLY13A, GLY13F, GLY16A, GLY16F, GLY62A, GLY62F, GLY67A, GLY67F, GLY68A, GLY68F, GLY85F, ILE121A, ILE121F, ILE49A, ILE49F, ILE87A, ILE87F, LEU20A, LEU20F, LEU25A, LEU25F, LEU30A, LEU30F, LEU57A, LEU57F, LEU59A, LEU59F, LYS115A, LYS115F, LYS116A, LYS116F, LYS125A, LYS125F, MET64A, MET64F, PHE124A, PHE124F, PHE26A, PHE26F, PHE54A, PHE54F, PHE63A, PHE63F, PRO15A, PRO15F, SER123A, SER123F, SER60A, SER60F, THR117A, THR117F, THR21A, THR21F, THR52A, THR52F, THR56A, THR56F, TYR18A, TYR18F, TYR88A, TYR88F, VAL14A, VAL14F, VAL55A, VAL55F, VAL61A, VAL61F, VAL70A, VAL70F, VAL72A, VAL72F
• A-G: GLU86A, GLU86G
• C-E: ALA22C, ALA22E, ALA58C, ALA58E, ALA66C, ALA66E, ARG27E, ASN17C, ASN17E, ASN24E, ASN53C, ASN53E, ASN65C, ASN65E, ASP120C, ASP120E, CYS126C, CYS126E, GLU119C, GLU119E, GLU23C, GLU23E, GLU51C, GLU51E, GLU86C, GLU86E, GLY118C, GLY118E, GLY122C, GLY122E, GLY13C, GLY13E, GLY16C, GLY16E, GLY62C, GLY62E, GLY67C, GLY67E, GLY68E, GLY85C, GLY85E, ILE121C, ILE121E, ILE49C, ILE49E, ILE87C, ILE87E, LEU20C, LEU20E, LEU25C, LEU25E, LEU30C, LEU30E, LEU57C, LEU57E, LEU59C, LEU59E, LYS115C, LYS115E, LYS116C, LYS116E, LYS125C, LYS125E, LYS84E, MET64C, MET64E, PHE124C, PHE124E, PHE26C, PHE26E, PHE54C, PHE54E, PHE63C, PHE63E, PRO15C, PRO15E, SER123C, SER123E, SER60C, SER60E, THR117C, THR117E, THR21C, THR21E, THR52C, THR52E, THR56C, THR56E, TYR18C, TYR18E, TYR88C, TYR88E, VAL14C, VAL14E, VAL55C, VAL55E, VAL61C, VAL61E, VAL70C, VAL70E, VAL72C, VAL72E
• C-F: ASP120F, CYS126F, GLN83C, GLN93C, GLU119F, GLU12C, GLU44F, GLU8C, GLU91C, GLY118F, GLY122F, GLY73C, HIS7C, LEU80C, LEU82C, LYS10C, LYS125F, LYS79C, LYS84C, PHE124F, PHE81C, PRO50C, SER123F, SER48C, SER69F, THR46F, VAL89C
• C-G: ASN53G, ASN71C, ASP120C, ASP77C, GLN83G, GLU119C, GLU41C, GLU43C, GLU44C, GLU51G, GLU8G, GLU91G, GLY118C, GLY122C, GLY68C, GLY85G, ILE42C, LEU47C, LEU82G, LYS10G, LYS125C, LYS74C, LYS74G, LYS79G, LYS84G, PHE81G, PRO45C, PRO50G, SER123C, SER69C, THR46C, THR52G, VAL70C, VAL89G
• D-G: ALA22D, ALA22G, ALA58D, ALA58G, ALA66D, ALA66G, ARG27D, ARG27G, ASN17D, ASN17G, ASN24D, ASN53D, ASN53G, ASN65D, ASN65G, ASP120D, ASP120G, CYS126D, CYS126G, GLU119D, GLU119G, GLU23D, GLU23G, GLU51D, GLU51G, GLU86D, GLU86G, GLY118D, GLY118G, GLY122D, GLY122G, GLY13D, GLY13G, GLY16D, GLY16G, GLY62D, GLY62G, GLY67D, GLY67G, GLY68D, GLY85D, GLY85G, ILE121D, ILE121G, ILE49D, ILE49G, ILE87D, ILE87G, LEU20D, LEU20G, LEU25D, LEU25G, LEU30D, LEU30G, LEU57D, LEU57G, LEU59D, LEU59G, LYS115D, LYS115G, LYS116D, LYS116G, LYS125D, LYS125G, LYS84D, LYS84G, MET64D, MET64G, PHE124D, PHE124G, PHE26D, PHE26G, PHE54D, PHE54G, PHE63D, PHE63G, PRO15D, PRO15G, SER123D, SER123G, SER60D, SER60G, THR117D, THR117G, THR21D, THR21G, THR52D, THR52G, THR56D, THR56G, TYR18D, TYR18G, TYR88D, TYR88G, VAL14D, VAL14G, VAL55D, VAL55G, VAL61D, VAL61G, VAL70D, VAL70G, VAL72D, VAL72G
• E-G: GLU86E, LYS74G