2NU3

accommodation of positively-charged residues in a hydrophobic specificity pocket: crystal structures of sgpb in complex with omtky3 variants lys18i and arg18i

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 77
  • Norm. En. per Res.: -4.2175
• Hub Node: E(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
E-I	-88.4467	-16.9445	-219.359	-324.7502	77	18	2	7837	0	16	18

Interface residues

• E-I: ALA15I, ALA192E, ALA55E, ARG138E, ARG21I, ARG41E, ARG81E, ASN170E, ASN219E, ASN33I, ASN36I, ASN39I, ASP102E, ASP175E, ASP194E, CYS16I, CYS191E, CYS220E, CYS35I, CYS42E, CYS58E, GLU10I, GLU192E, GLU19I, GLY172E, GLY173E, GLY174E, GLY193E, GLY196E, GLY197E, GLY215E, GLY216E, GLY218E, GLY224E, GLY32I, GLY40E, HIS57E, ILE31E, LYS13I, LYS18I, LYS29I, LYS34I, LYS55I, MET180E, PHE227E, PHE37I, PHE94E, PRO14I, PRO192E, PRO22I, PRO99E, SER141E, SER195E, SER214E, SER217E, SER221E, SER33E, SER34E, SER43E, THR142E, THR143E, THR168E, THR17I, THR213E, THR225E, THR226E, THR30I, THR39E, TRP66E, TYR11I, TYR171E, TYR20I, TYR31I, TYR32E, VAL169E, VAL177E, VAL190E