2YGU

crystal structure of fire ant venom allergen, sol i 2

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -4.2309
• Hub Node: A(1)

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	-66.3782	-107.9413	-257.234	-431.5535	102	11	5	10617	12	43	30
C-D	-52.8109	-92.4481	157.802	12.5429	101	10	5	10765	11	43	32
E-F	-58.3291	-97.1844	195.904	40.3905	105	9	5	10841	12	42	36
G-H	-66.2388	-110.8221	-248.932	-425.9929	102	9	5	10246	12	43	36

Interface residues

• A-B: ALA104A, ALA104B, ALA107A, ALA107B, ALA110A, ALA110B, ALA116A, ALA116B, ALA31A, ALA31B, ALA97A, ALA97B, ARG106A, ARG106B, ARG117A, ARG117B, ARG32A, ARG32B, ARG81A, ARG81B, ARG85A, ARG85B, ARG94A, ARG94B, ASN24A, ASN24B, ASN99A, ASN99B, ASP27A, ASP27B, ASP28A, ASP28B, ASP34A, ASP34B, CYS103A, CYS103B, CYS22A, CYS22B, CYS38A, CYS38B, CYS82A, CYS82B, GLN25A, GLN25B, GLN95A, GLN95B, GLU111A, GLU111B, GLU86A, GLU86B, GLY102A, GLY102B, GLY108A, GLY108B, GLY23A, GLY23B, HIS37A, HIS37B, ILE100A, ILE100B, ILE101A, ILE101B, LEU105A, LEU105B, LEU115A, LEU115B, LEU19A, LEU19B, LEU30A, LEU30B, LYS118B, LYS119B, LYS21A, LYS21B, LYS91A, LYS91B, LYS96A, LYS96B, PRO20A, PRO20B, PRO26A, PRO26B, PRO29A, PRO29B, SER92A, SER92B, THR112A, THR112B, THR113A, THR113B, TRP36A, TRP36B, VAL109A, VAL109B, VAL33A, VAL33B, VAL35A, VAL35B, VAL78A, VAL78B, VAL98A, VAL98B
• C-D: ALA104C, ALA104D, ALA107C, ALA107D, ALA110C, ALA110D, ALA116C, ALA116D, ALA31C, ALA31D, ALA97C, ALA97D, ARG106C, ARG106D, ARG117C, ARG117D, ARG32C, ARG32D, ARG81C, ARG81D, ARG85C, ARG85D, ARG94C, ARG94D, ASN24C, ASN24D, ASN99C, ASN99D, ASP27C, ASP27D, ASP28C, ASP28D, ASP34C, ASP34D, CYS103C, CYS103D, CYS22C, CYS22D, CYS38C, CYS38D, CYS82C, CYS82D, GLN25C, GLN25D, GLN95C, GLN95D, GLU111C, GLU111D, GLU86C, GLU86D, GLY102C, GLY102D, GLY108C, GLY108D, GLY23C, GLY23D, HIS37C, HIS37D, ILE100C, ILE100D, ILE101C, ILE101D, LEU105C, LEU105D, LEU115C, LEU115D, LEU19C, LEU19D, LEU30C, LEU30D, LYS118C, LYS21C, LYS21D, LYS91C, LYS91D, LYS96C, LYS96D, PRO20C, PRO20D, PRO26C, PRO26D, PRO29C, PRO29D, SER92C, SER92D, THR112C, THR112D, THR113C, THR113D, TRP36C, TRP36D, VAL109C, VAL109D, VAL33C, VAL33D, VAL35C, VAL35D, VAL78C, VAL78D, VAL98C, VAL98D
• E-F: ALA104E, ALA104F, ALA107E, ALA107F, ALA110E, ALA110F, ALA116E, ALA116F, ALA31E, ALA31F, ALA41E, ALA41F, ALA97E, ALA97F, ARG106E, ARG106F, ARG117E, ARG117F, ARG32E, ARG32F, ARG81E, ARG81F, ARG85E, ARG85F, ARG94E, ARG94F, ASN24E, ASN24F, ASN99E, ASN99F, ASP27E, ASP27F, ASP28E, ASP28F, ASP34E, ASP34F, CYS103E, CYS103F, CYS22E, CYS22F, CYS38E, CYS38F, CYS82E, CYS82F, GLN25E, GLN25F, GLN95E, GLN95F, GLU111E, GLU111F, GLU86E, GLU86F, GLY102E, GLY102F, GLY108E, GLY108F, GLY23E, GLY23F, HIS37E, HIS37F, ILE100E, ILE100F, ILE101E, ILE101F, LEU105E, LEU105F, LEU115E, LEU115F, LEU19E, LEU19F, LEU30E, LEU30F, LYS118E, LYS119F, LYS21E, LYS21F, LYS91E, LYS91F, LYS96E, LYS96F, PRO20E, PRO20F, PRO26E, PRO26F, PRO29E, PRO29F, PRO90F, SER92E, SER92F, THR112E, THR112F, THR113E, THR113F, TRP36E, TRP36F, VAL109E, VAL109F, VAL33E, VAL33F, VAL35E, VAL35F, VAL78E, VAL78F, VAL98E, VAL98F
• G-H: ALA104G, ALA104H, ALA107G, ALA107H, ALA110G, ALA110H, ALA116G, ALA116H, ALA31G, ALA31H, ALA97H, ARG106G, ARG106H, ARG117G, ARG117H, ARG32G, ARG32H, ARG81G, ARG81H, ARG85G, ARG94G, ARG94H, ASN24G, ASN24H, ASN99G, ASN99H, ASP27G, ASP27H, ASP28G, ASP28H, ASP34G, ASP34H, CYS103G, CYS103H, CYS15H, CYS22G, CYS22H, CYS38G, CYS38H, CYS82G, CYS82H, GLN25G, GLN25H, GLN95G, GLN95H, GLU111G, GLU111H, GLU86G, GLU86H, GLY102G, GLY102H, GLY108G, GLY108H, GLY23G, GLY23H, HIS37G, HIS37H, ILE100G, ILE100H, ILE101G, ILE101H, LEU105G, LEU105H, LEU115G, LEU115H, LEU19G, LEU19H, LEU30G, LEU30H, LYS118G, LYS118H, LYS119H, LYS21G, LYS21H, LYS91G, LYS91H, LYS96G, LYS96H, PRO20G, PRO20H, PRO26G, PRO26H, PRO29G, PRO29H, SER92G, SER92H, THR112G, THR112H, THR113G, THR113H, TRP36G, TRP36H, VAL109G, VAL109H, VAL33G, VAL33H, VAL35G, VAL35H, VAL78G, VAL78H, VAL98G, VAL98H