1R44

crystal structure of vanx

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 99
  • Norm. En. per Res.: -2.5607
• 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	-34.4477	17.7992	-113.275	-129.9235	68	7	0	4750	4	37	48
B-C	-6.3309	13.5012	-238.791	-231.6207	98	9	0	9664	2	36	38
C-D	-43.3103	22.2043	-132.802	-153.908	65	9	0	5147	6	38	50
D-E	-11.4264	12.2182	-254.306	-253.5141	99	7	0	9783	2	36	40
E-F	-10.4453	-3.7012	-62.7917	-76.9382	53	13	0	3674	6	38	45

Interface residues

• A-B: ALA151A, ALA151B, ALA152A, ALA152B, ALA160A, ALA160B, ALA177A, ALA177B, ARG164A, ARG164B, ARG165A, ARG165B, ARG167A, ARG167B, ARG188A, ARG188B, ASN153A, ASN153B, ASN172A, ASN172B, ASN194A, ASN194B, ASP189A, ASP189B, CYS157A, CYS157B, GLN161A, GLN161B, GLU146A, GLU146B, GLU171A, GLU171B, GLU176A, GLU176B, GLU181A, GLU181B, GLY108A, GLY108B, GLY174A, GLY174B, HIS149A, HIS149B, HIS150A, HIS150B, HIS184A, HIS184B, ILE169A, ILE169B, LEU180A, LEU180B, LYS107A, LYS107B, MET170A, MET170B, PHE175A, PHE175B, PRO193B, SER106A, SER168A, SER168B, SER173A, SER173B, SER179A, SER179B, TYR178A, TYR178B, TYR185A, TYR185B
• B-C: ALA19B, ALA19C, ALA22B, ALA22C, ARG128B, ARG128C, ARG16B, ARG16C, ARG39B, ARG39C, ASN38B, ASN38C, ASP130B, ASP130C, ASP18B, ASP18C, ASP25B, ASP25C, ASP33B, ASP33C, ASP9B, ASP9C, GLU10B, GLU10C, GLU133B, GLU133C, GLU36B, GLU36C, GLY132B, GLY132C, GLY14B, GLY14C, GLY29B, GLY29C, GLY34B, GLY34C, GLY63B, GLY63C, HIS13B, HIS13C, ILE40B, ILE40C, LEU126B, LEU126C, LEU129B, LEU129C, LEU134B, LEU134C, LEU64B, LEU64C, LEU65B, LEU65C, LEU66B, LEU66C, LEU90B, LEU90C, LYS202B, LYS202C, LYS20B, LYS20C, LYS30B, LYS30C, LYS54B, PHE7B, PHE7C, PRO31B, PRO31C, THR125B, THR125C, THR131B, THR131C, THR23B, THR23C, THR28C, TRP17B, TRP17C, TRP24B, TRP24C, TRP67B, TRP67C, TYR127B, TYR127C, TYR21B, TYR21C, TYR35B, TYR35C, VAL12B, VAL12C, VAL135B, VAL135C, VAL15B, VAL15C, VAL201B, VAL201C, VAL32B, VAL32C, VAL37B, VAL37C
• C-D: ALA151C, ALA151D, ALA152C, ALA152D, ALA160C, ALA160D, ALA177C, ALA177D, ARG164C, ARG164D, ARG165D, ARG167C, ARG167D, ARG188C, ARG188D, ASN153C, ASN153D, ASN172C, ASN172D, ASP189C, ASP189D, CYS157C, GLN161C, GLN161D, GLU146C, GLU146D, GLU171C, GLU171D, GLU176C, GLU176D, GLU181C, GLU181D, GLY108C, GLY108D, GLY174C, GLY174D, HIS149C, HIS149D, HIS150C, HIS150D, HIS184C, ILE169C, ILE169D, LEU180C, LEU180D, LEU56C, LEU56D, LYS107C, LYS107D, MET170C, MET170D, PHE175C, PHE175D, SER106C, SER168C, SER168D, SER173C, SER173D, SER179C, SER179D, TYR109C, TYR178C, TYR178D, TYR185C, TYR185D
• D-E: ALA19D, ALA19E, ALA22D, ALA22E, ARG128D, ARG128E, ARG16D, ARG16E, ARG39D, ARG39E, ASN38D, ASN38E, ASP130D, ASP130E, ASP18D, ASP18E, ASP25D, ASP25E, ASP33D, ASP33E, ASP9D, ASP9E, GLU10D, GLU10E, GLU133D, GLU133E, GLU36D, GLU36E, GLY132D, GLY132E, GLY14D, GLY14E, GLY29D, GLY29E, GLY34D, GLY34E, GLY63D, GLY63E, HIS13D, HIS13E, ILE40D, ILE40E, LEU126D, LEU126E, LEU129D, LEU129E, LEU134D, LEU134E, LEU64D, LEU64E, LEU65D, LEU65E, LEU66D, LEU66E, LEU90D, LEU90E, LYS202D, LYS202E, LYS20D, LYS20E, LYS30D, LYS30E, LYS54E, PHE7D, PHE7E, PRO31D, PRO31E, THR125D, THR125E, THR131D, THR131E, THR23D, THR23E, THR28D, THR28E, TRP17D, TRP17E, TRP24D, TRP24E, TRP67D, TRP67E, TYR127D, TYR127E, TYR21D, TYR21E, TYR35D, TYR35E, VAL12D, VAL12E, VAL135D, VAL135E, VAL15D, VAL15E, VAL201D, VAL201E, VAL32D, VAL32E, VAL37D, VAL37E
• E-F: ALA151E, ALA151F, ALA152E, ALA152F, ALA177E, ALA177F, ARG164E, ARG164F, ARG167E, ARG167F, ARG188E, ARG188F, ASN153E, ASN153F, ASN172E, ASN172F, ASP189E, ASP189F, GLN161F, GLU146E, GLU146F, GLU171E, GLU171F, GLU176E, GLU176F, GLU181E, GLY108E, GLY174E, GLY174F, HIS149E, HIS149F, HIS150E, HIS150F, ILE169F, LEU180E, LEU180F, LEU56F, LYS107E, LYS107F, MET170E, MET170F, PHE175E, PHE175F, SER106E, SER168E, SER168F, SER173E, SER173F, SER179E, SER179F, TYR178E, TYR178F, TYR185F