2H4C

structure of daboiatoxin (heterodimeric pla2 venom)

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 131
  • Norm. En. per Res.: -3.1649
• 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	-16.4235	-17.3563	-348.409	-382.1889	131	35	3	13554	2	11	12
B-G	0.0	0.0	-23.0821	-23.0821	22	0	1	953	0	4	5
C-D	-33.7617	-10.5274	-322.455	-366.7441	136	33	2	12990	1	12	12
E-F	-55.1969	-22.8337	-331.404	-409.4346	133	45	3	13183	1	12	12
G-H	-34.4929	-15.5394	-364.569	-414.6013	131	29	3	14175	2	12	11

Interface residues

• A-B: ALA121A, ALA18A, ALA23A, ALA53B, ALA6A, ALA6B, ALA71A, ARG54B, ARG7B, ASN119A, ASN1A, ASN1B, ASN56A, ASN61A, ASN61B, ASP10B, ASP125B, ASP131B, ASP42B, ASP49A, ASP49B, ASP99A, CYS126A, CYS126B, CYS133A, CYS133B, CYS27A, CYS27B, CYS29A, CYS29B, CYS45A, CYS45B, CYS50A, CYS50B, CYS51A, CYS51B, CYS59A, GLN132A, GLN132B, GLN34A, GLN34B, GLN38A, GLN4A, GLN4B, GLU128A, GLU129A, GLU131A, GLU17A, GLU72B, GLU7A, GLY26A, GLY26B, GLY30A, GLY30B, GLY32A, GLY32B, GLY33A, GLY33B, GLY35A, GLY35B, GLY53A, GLY58B, HIS125A, HIS20A, HIS48A, HIS48B, ILE122A, ILE122B, ILE23B, ILE24A, ILE9A, ILE9B, LEU106A, LEU119B, LEU2B, LEU70B, LEU8B, LYS127B, LYS21B, LYS38B, LYS69A, LYS69B, MET70A, MET8A, PHE106B, PHE124B, PHE17B, PHE19B, PHE20B, PHE2A, PHE3A, PHE3B, PHE46A, PHE46B, PHE5A, PHE5B, PRO37A, PRO37B, PRO68A, PRO68B, SER121B, SER124A, SER130A, SER130B, SER18B, SER21A, SER24B, THR127A, THR36B, THR54A, THR72A, TRP31A, TRP31B, TYR120A, TYR120B, TYR22A, TYR22B, TYR25A, TYR25B, TYR28A, TYR28B, TYR52A, TYR52B, TYR73B, TYR75A, TYR75B, VAL10A, VAL19A, VAL47A, VAL55A, VAL71B
• B-G: ASN88G, ASN89G, ASP125B, ASP86G, CYS84G, CYS91G, GLU97G, GLY85G, ILE122B, LEU90G, LYS115B, LYS116B, LYS127B, LYS93G, MET118B, PHE124B, SER121B, THR94G, TYR117B, TYR120B, VAL55G, VAL95G
• C-D: ALA102C, ALA121C, ALA16D, ALA23C, ALA53D, ALA6C, ALA6D, ALA71C, ARG54D, ARG7D, ASN119C, ASN1C, ASN1D, ASN61C, ASN61D, ASP10D, ASP125D, ASP131D, ASP49C, ASP49D, ASP99C, ASP99D, CYS126C, CYS126D, CYS133C, CYS133D, CYS27C, CYS27D, CYS29C, CYS29D, CYS45C, CYS45D, CYS50C, CYS50D, CYS51C, CYS51D, CYS59C, CYS59D, CYS98D, GLN132C, GLN132D, GLN34C, GLN34D, GLN4C, GLN4D, GLU128C, GLU128D, GLU129C, GLU129D, GLU131C, GLU72D, GLU7C, GLY26C, GLY26D, GLY30C, GLY30D, GLY32C, GLY32D, GLY33C, GLY33D, GLY35C, GLY35D, GLY53C, GLY58D, HIS125C, HIS20C, HIS48C, HIS48D, ILE122C, ILE122D, ILE23D, ILE24C, ILE9C, ILE9D, LEU106C, LEU119D, LEU2D, LEU70D, LEU8D, LYS11C, LYS127D, LYS21D, LYS38D, LYS69C, LYS69D, MET118D, MET70C, MET8C, PHE106D, PHE124D, PHE17D, PHE19D, PHE20D, PHE2C, PHE3C, PHE3D, PHE46C, PHE46D, PHE5C, PHE5D, PRO37D, PRO68C, PRO68D, SER121D, SER124C, SER130C, SER130D, SER21C, SER24D, THR127C, THR36D, THR54C, THR72C, TRP31C, TRP31D, TYR117D, TYR120C, TYR120D, TYR22C, TYR22D, TYR25C, TYR25D, TYR28C, TYR28D, TYR52C, TYR52D, TYR73C, TYR73D, TYR75C, VAL10C, VAL19C, VAL47C, VAL47D, VAL55C, VAL55D, VAL71D
• E-F: ALA103F, ALA121E, ALA18E, ALA23E, ALA53F, ALA6E, ALA6F, ALA71E, ARG54F, ARG7F, ASN119E, ASN1E, ASN1F, ASN56E, ASN61E, ASN61F, ASP10F, ASP131F, ASP42E, ASP42F, ASP49E, ASP49F, ASP58E, ASP99E, ASP99F, CYS126E, CYS126F, CYS133E, CYS133F, CYS27E, CYS27F, CYS29E, CYS29F, CYS45E, CYS45F, CYS50E, CYS50F, CYS51E, CYS51F, CYS59E, CYS59F, GLN132E, GLN34E, GLN34F, GLN38E, GLN4E, GLN4F, GLU128E, GLU131E, GLU17E, GLU72F, GLU7E, GLY26E, GLY26F, GLY30E, GLY30F, GLY32E, GLY32F, GLY33E, GLY33F, GLY35E, GLY35F, GLY53E, GLY58F, HIS125E, HIS20E, HIS48E, HIS48F, ILE122E, ILE122F, ILE23F, ILE24E, ILE9E, ILE9F, LEU106E, LEU119F, LEU2F, LEU70F, LEU8F, LYS127F, LYS21F, LYS36E, LYS38F, LYS56F, LYS69E, LYS69F, MET70E, MET8E, PHE106F, PHE124F, PHE17F, PHE19F, PHE20F, PHE2E, PHE3E, PHE3F, PHE46E, PHE46F, PHE5E, PHE5F, PRO37F, PRO68E, PRO68F, SER121F, SER124E, SER130E, SER130F, SER18F, SER21E, SER24F, THR127E, THR36F, THR54E, THR72E, TRP31E, TRP31F, TYR120E, TYR120F, TYR22E, TYR22F, TYR25E, TYR25F, TYR28E, TYR28F, TYR52E, TYR52F, TYR75E, VAL10E, VAL19E, VAL47E, VAL55E, VAL55F, VAL71F
• G-H: ALA102H, ALA121G, ALA18G, ALA23G, ALA53H, ALA6G, ALA6H, ALA71G, ARG54H, ARG7H, ASN119G, ASN1G, ASN1H, ASN56G, ASN61G, ASN61H, ASP10H, ASP125H, ASP131H, ASP42G, ASP42H, ASP49G, ASP49H, ASP99G, ASP99H, CYS126G, CYS126H, CYS133G, CYS133H, CYS27G, CYS27H, CYS29G, CYS29H, CYS45G, CYS45H, CYS50G, CYS50H, CYS51G, CYS51H, CYS59G, GLN132G, GLN132H, GLN34G, GLN34H, GLN4G, GLN4H, GLU128G, GLU131G, GLU17G, GLU72H, GLU7G, GLY26G, GLY26H, GLY30G, GLY30H, GLY32G, GLY32H, GLY33G, GLY33H, GLY35G, GLY35H, GLY53G, HIS125G, HIS20G, HIS48G, HIS48H, ILE122G, ILE122H, ILE23H, ILE24G, ILE9G, ILE9H, LEU106G, LEU119H, LEU2H, LEU70H, LEU8H, LYS127H, LYS21H, LYS38H, LYS69G, LYS69H, MET70G, MET8G, PHE106H, PHE124H, PHE17H, PHE19H, PHE20H, PHE2G, PHE3G, PHE3H, PHE46G, PHE46H, PHE5G, PHE5H, PRO37G, PRO68G, PRO68H, SER121H, SER124G, SER130G, SER130H, SER21G, SER24H, THR127G, THR36H, THR54G, THR72G, TRP31G, TRP31H, TYR117G, TYR120G, TYR120H, TYR22G, TYR22H, TYR25G, TYR25H, TYR28G, TYR28H, TYR52G, TYR52H, TYR73G, TYR73H, TYR75G, TYR75H, VAL10G, VAL19G, VAL47G, VAL47H, VAL71H