2QXU

crystal structure analysis of the bacillus subtilis lipase crystallized at ph 5.0

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 55
  • Norm. En. per Res.: -1.9372
• 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	-2.33	0.0	-93.0032	-95.3332	54	5	0	3975	0	10	10
C-D	-22.3308	0.0	-84.2179	-106.5487	55	4	0	3511	0	8	7
E-F	-8.7743	0.0	-80.6301	-89.4044	52	9	0	3687	0	8	8
G-H	-2.187	0.0	-98.3071	-100.4941	52	10	0	3906	0	11	10

Interface residues

• A-B: ALA146A, ALA146B, ARG147A, ARG147B, ASN120A, ASN120B, ASN148A, ASN148B, ASN174A, ASN174B, ASN179A, ASN179B, ASN181A, ASN181B, ASN98A, ASN98B, GLN121A, GLN121B, GLN178A, GLN178B, GLU171A, GLU171B, GLY145A, GLY145B, GLY172A, GLY172B, GLY175A, GLY175B, GLY176A, GLY176B, GLY177A, GLY177B, LEU124A, LEU124B, LEU168A, LEU168B, LEU173A, LEU173B, LYS122A, LYS122B, LYS170A, LYS170B, LYS70A, PRO119A, SER167A, SER167B, THR126A, THR126B, THR180A, THR180B, TYR125A, TYR125B, VAL149A, VAL149B
• C-D: ALA146C, ALA146D, ARG147C, ARG147D, ASN120C, ASN120D, ASN148C, ASN148D, ASN174C, ASN174D, ASN179C, ASN179D, ASN181C, ASN181D, ASN98C, ASN98D, GLN121C, GLN121D, GLN178C, GLN178D, GLU171C, GLU171D, GLY145C, GLY145D, GLY172C, GLY172D, GLY175C, GLY175D, GLY176C, GLY176D, GLY177C, GLY177D, HIS3C, HIS3D, LEU124C, LEU124D, LEU168C, LEU168D, LEU173C, LEU173D, LYS122C, LYS122D, LYS170C, LYS170D, PRO119D, SER167C, SER167D, THR126C, THR126D, THR180C, THR180D, TYR125C, TYR125D, VAL149C, VAL149D
• E-F: ALA146E, ALA146F, ARG147E, ARG147F, ASN120E, ASN120F, ASN148E, ASN148F, ASN174E, ASN174F, ASN179E, ASN179F, ASN181E, ASN181F, ASN98E, ASN98F, GLN121E, GLN121F, GLN178E, GLN178F, GLU171E, GLU171F, GLY145E, GLY145F, GLY172E, GLY172F, GLY175E, GLY175F, GLY176E, GLY176F, GLY177E, GLY177F, HIS3E, LEU124E, LEU124F, LEU168E, LEU168F, LEU173E, LEU173F, LYS122E, LYS122F, LYS170E, LYS170F, SER167F, THR126E, THR126F, THR180E, THR180F, TYR125E, TYR125F, VAL149E, VAL149F
• G-H: ALA146G, ALA146H, ARG147G, ARG147H, ASN120G, ASN120H, ASN148G, ASN148H, ASN174G, ASN174H, ASN179G, ASN179H, ASN181G, ASN181H, ASN98G, ASN98H, GLN121G, GLN121H, GLN178G, GLN178H, GLU171G, GLU171H, GLY145G, GLY145H, GLY172G, GLY172H, GLY175G, GLY175H, GLY176G, GLY176H, GLY177G, GLY177H, LEU124G, LEU124H, LEU168G, LEU168H, LEU173G, LEU173H, LYS122G, LYS122H, LYS170G, LYS170H, SER167G, SER167H, THR126G, THR126H, THR180G, THR180H, TYR125G, TYR125H, VAL149G, VAL149H