3E0R

crystal structure of cppa protein from streptococcus pneumoniae tigr4

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 70
  • Norm. En. per Res.: -3.0514
• 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-B	0.0	0.0	-0.317	-0.317	7	0	0	46	0	2	5
A-C	-12.1766	-16.5338	-32.8397	-61.5501	28	3	1	1761	1	8	11
A-D	-52.1878	-26.8867	-134.526	-213.6005	70	8	1	4962	4	31	34
B-C	-29.5204	-21.184	-104.247	-154.9514	66	4	1	4274	2	30	33
B-D	-8.9286	6.7959	-3.4979	-5.6307	20	4	0	355	0	10	13

Interface residues

• A-B: GLU132B, GLU135B, GLU161A, GLU165A, LYS133B, SER166A, SER167A
• A-C: ALA206A, ARG18C, ARG209A, ASN16C, ASN17C, ASN201A, ASN4A, ASP204A, ASP92C, GLN210A, GLN5A, GLU202A, GLU213A, GLU240A, GLU27C, ILE205A, LEU203A, LEU208A, LEU20C, LYS19C, LYS64C, SER167A, SER207A, SER59C, SER93C, THR23C, TRP191C, VAL3A
• A-D: ALA125A, ALA125D, ALA178A, ALA178D, ALA72A, ARG68A, ARG68D, ARG73A, ARG73D, ARG96A, ARG96D, ASP113A, ASP114A, ASP122D, ASP123A, ASP123D, ASP182A, GLN101D, GLN179A, GLN179D, GLN181A, GLU107A, GLU107D, GLU121D, GLU129A, GLU129D, GLU132D, GLU66A, GLY100D, GLY131A, GLY131D, GLY180A, GLY67A, GLY67D, HIS155A, HIS95A, HIS95D, ILE108A, ILE124A, ILE124D, ILE176A, ILE94D, LEU115A, LEU115D, LEU117D, LEU127A, LEU127D, LEU156A, LEU183A, LEU71A, LEU97A, LEU97D, LYS133D, LYS69A, LYS99D, PHE109A, PHE109D, PRO157A, PRO177A, PRO177D, SER126A, SER126D, THR158A, TYR98A, TYR98D, VAL128A, VAL128D, VAL130A, VAL130D, VAL65A
• B-C: ALA125B, ALA125C, ALA178B, ALA178C, ALA72C, ARG68B, ARG68C, ARG73B, ARG73C, ARG96B, ARG96C, ASP113C, ASP114C, ASP122B, ASP123B, GLN101B, GLN179B, GLN179C, GLN181C, GLU107B, GLU107C, GLU121B, GLU129B, GLU129C, GLU132B, GLU66C, GLY100B, GLY131B, GLY131C, GLY180C, GLY67B, GLY67C, HIS155C, HIS95B, HIS95C, ILE108C, ILE124B, ILE124C, ILE176C, ILE94B, LEU115B, LEU115C, LEU127B, LEU127C, LEU156C, LEU183C, LEU71C, LEU97B, LYS133B, LYS69C, LYS99B, PHE109B, PHE109C, PRO157C, PRO177B, PRO177C, SER126B, SER126C, SER93C, THR158C, TYR98B, TYR98C, VAL128B, VAL128C, VAL130B, VAL65C
• B-D: ARG18B, ARG231D, GLN210D, GLN5D, GLU165D, GLU168D, GLU213D, GLU22B, GLU27B, GLU36B, ILE143B, LYS19B, LYS211D, LYS90B, PHE163D, SER142B, SER166D, SER167D, SER214D, THR23B