3KQA

mura dead-end complex with terreic acid

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 91
  • Norm. En. per Res.: -2.7217
• Hub Node: A(2)

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	-28.2745	-15.9882	-108.109	-152.3717	103	12	0	5763	9	34	28
A-C	-9.6285	103.2008	-36.1079	57.4644	25	3	0	1034	0	12	15
C-D	-35.3297	-93.6795	-118.668	-247.6772	91	10	1	4952	16	27	29

Interface residues

• A-B: ALA116A, ALA116B, ALA119A, ALA119B, ALA345A, ALA345B, ALA363A, ALA363B, ALA367A, ALA367B, ARG120A, ARG120B, ARG331A, ARG331B, ARG340A, ARG340B, ARG391A, ARG391B, ARG397A, ARG91A, ARG91B, ASN330A, ASN330B, ASN350A, ASN350B, ASP369A, ASP369B, ASP390A, ASP390B, CYS115A, CYS115B, GLN364A, GLN364B, GLU329A, GLU329B, GLU337A, GLU337B, GLU346A, GLU346B, GLU348A, GLU348B, GLU419A, GLU419B, GLY113A, GLY113B, GLY114A, GLY114B, GLY118A, GLY118B, GLY418A, GLY418B, HIS344A, HIS344B, HIS355A, HIS355B, HIS394A, HIS394B, ILE117A, ILE339B, ILE347A, ILE347B, ILE353A, ILE353B, LEU111A, LEU111B, LEU376A, LEU376B, LYS3A, LYS3B, LYS88B, MET1A, MET1B, MET333A, MET333B, MET366A, MET366B, PRO112A, PRO112B, PRO121A, PRO121B, PRO336A, PRO336B, SER349A, SER349B, THR320A, THR320B, THR351A, THR351B, THR368A, THR368B, TYR393A, TYR393B, TYR84A, TYR84B, VAL122A, VAL122B, VAL322B, VAL365A, VAL365B, VAL388A, VAL388B, VAL389A, VAL389B
• A-C: ARG252A, ARG252C, ASP272A, ASP272C, ASP278A, ASP278C, ASP283C, GLU274A, GLU274C, GLU277A, GLU277C, GLY276A, GLY276C, HIS285C, ILE273A, ILE273C, LYS248A, LYS248C, SER281A, SER281C, THR275A, THR275C, TRP279A, TRP279C, VAL250C
• C-D: ALA116C, ALA116D, ALA119C, ALA119D, ALA345D, ALA363C, ALA363D, ALA367C, ALA367D, ARG120C, ARG120D, ARG331C, ARG340C, ARG340D, ARG391C, ARG391D, ARG397C, ARG397D, ARG5C, ARG5D, ASN330C, ASN330D, ASP2C, ASP2D, ASP390C, ASP390D, CYS115C, GLN364C, GLN364D, GLU329C, GLU329D, GLU337C, GLU337D, GLU346C, GLU346D, GLU348C, GLU348D, GLU419C, GLU419D, GLY113C, GLY113D, GLY114C, GLY118C, GLY118D, GLY418C, GLY418D, HIS344C, HIS344D, HIS355C, HIS355D, HIS394C, HIS394D, ILE117C, ILE117D, ILE347C, ILE347D, ILE353C, ILE353D, LEU376C, LEU376D, LYS3C, LYS3D, MET1C, MET1D, MET333C, MET333D, MET366C, MET366D, PHE332C, PRO112C, PRO112D, PRO121C, PRO336C, PRO336D, SER349C, THR351D, THR368C, THR368D, TYR393C, TYR393D, TYR84C, TYR84D, VAL322D, VAL352D, VAL365C, VAL365D, VAL388C, VAL388D, VAL389C, VAL389D, VAL416C