2G3V

crystal structure of cags (hp0534, cag13) from helicobacter pylori

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 45
  • Norm. En. per Res.: -2.4
• 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	-13.4558	-16.8688	-77.6734	-107.9981	45	8	1	3604	2	23	21
A-E	0.0	0.0	-24.398	-24.398	29	1	0	1590	0	0	0
A-G	0.0	0.0	-0.146	-0.146	5	0	0	19	0	0	0
B-D	-9.4176	-19.2157	-71.4892	-100.1224	43	13	1	3599	1	22	22
B-F	0.0	0.0	-19.2609	-19.2609	28	0	0	1439	0	0	0
B-H	0.0	0.0	-0.3988	-0.3988	7	0	0	39	0	0	0
C-E	0.0	0.0	-0.1677	-0.1677	6	0	0	22	0	0	0
C-G	0.0	0.0	-22.2597	-22.2597	29	4	0	1612	0	0	0
D-F	0.0	0.0	-0.0534	-0.0534	4	0	0	9	0	0	0
D-H	0.0	0.0	-25.867	-25.867	29	4	0	1680	0	0	0

Interface residues

• A-C: ARG136A, ARG136C, ASP139A, ASP139C, GLN141A, GLN141C, GLU137A, GLU137C, GLU143A, GLU143C, GLY146A, GLY146C, ILE129A, ILE129C, ILE135A, ILE135C, ILE142A, ILE142C, LEU144A, LEU144C, LEU151A, LEU151C, LEU152C, LYS132A, LYS132C, LYS148A, LYS148C, LYS21A, LYS21C, LYS77A, LYS77C, LYS83A, LYS83C, LYS86A, LYS86C, SER134A, SER134C, SER140A, SER140C, SER78A, SER78C, THR147A, THR147C, TYR145A, TYR145C
• A-E: GLU161A, GLY119A, ILE117A, ILE120A, LEU144A, LEU149A, LEU152A, LEU154A, LEU181A, LEU22A, LEU26A, LYS148A, LYS153A, LYS21A, PHE108A, PHE113A, PHE155A, PRO123A, SER116A, TYR145A, TYR177A, UNK1E, UNK2E, UNK3E, UNK4E, UNK5E, UNK7E, VAL156A, VAL178A
• A-G: ARG136A, ASP139A, GLU143A, UNK5G, UNK7G
• B-D: ARG136B, ARG136D, ASP139B, ASP139D, GLN141B, GLN141D, GLU137B, GLU137D, GLU143B, GLU143D, GLY146B, GLY146D, ILE129D, ILE135B, ILE135D, ILE142B, ILE142D, ILE79B, LEU144B, LEU144D, LEU151B, LEU151D, LEU152D, LEU22D, LYS132B, LYS132D, LYS148B, LYS148D, LYS21B, LYS21D, LYS77B, LYS83B, LYS86B, PRO123D, SER134B, SER134D, SER140B, SER140D, SER78B, THR147B, THR147D, TYR145B, TYR145D
• B-F: GLU161B, GLY119B, ILE117B, ILE120B, LEU144B, LEU149B, LEU152B, LEU154B, LEU181B, LEU22B, LYS148B, LYS153B, LYS21B, PHE108B, PHE113B, PHE155B, PRO123B, SER116B, TYR145B, TYR177B, UNK1F, UNK2F, UNK3F, UNK4F, UNK5F, UNK7F, VAL156B, VAL178B
• B-H: ARG136B, ASP139B, GLU143B, LYS83B, THR147B, UNK5H, UNK7H
• C-E: ARG136C, ASP139C, GLU143C, THR147C, UNK5E, UNK7E
• C-G: GLU161C, GLY119C, ILE117C, ILE120C, LEU118C, LEU144C, LEU149C, LEU152C, LEU154C, LEU181C, LEU22C, LYS148C, LYS153C, LYS21C, PHE108C, PHE113C, PHE155C, PRO123C, SER116C, TYR145C, TYR177C, UNK1G, UNK2G, UNK3G, UNK4G, UNK5G, UNK7G, VAL156C, VAL178C
• D-F: ARG136D, GLU143D, UNK5F, UNK7F
• D-H: GLU161D, GLY119D, ILE117D, ILE120D, LEU118D, LEU144D, LEU149D, LEU152D, LEU154D, LEU181D, LEU22D, LYS148D, LYS153D, LYS21D, PHE108D, PHE113D, PHE155D, PRO123D, SER116D, TYR145D, TYR177D, UNK1H, UNK2H, UNK3H, UNK4H, UNK5H, UNK7H, VAL156D, VAL178D