2K2Q

complex structure of the external thioesterase of the surfactin-synthetase with a carrier domain

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -2.1329
• 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	-22.0615	0.2676	-225.623	-247.4169	116	19	7	11906	0	22	16

Interface residues

• A-B: ALA10A, ALA144B, ALA14A, ALA20A, ALA227B, ALA22B, ALA45B, ALA48A, ALA50A, ALA52A, ALA53A, ALA57B, ALA76A, ALA78A, ALA82A, ARG25A, ARG57A, ARG94B, ASN13A, ASN186B, ASP189B, ASP190B, ASP213B, CYS18B, GLN138B, GLN222B, GLN3B, GLN54A, GLN60A, GLN79A, GLU145B, GLU148B, GLU151B, GLU16A, GLU21A, GLU224B, GLU225B, GLU228B, GLU24A, GLU46B, GLU58A, GLY140B, GLY141B, GLY187B, GLY214B, GLY215B, GLY23B, GLY49B, GLY84B, GLY88B, GLY89B, HIS118B, HIS216B, HIS44A, HIS50B, HIS56A, HIS85B, ILE114B, ILE22A, ILE58B, ILE74A, ILE91B, LEU139B, LEU146B, LEU19A, LEU219B, LEU220B, LEU234B, LEU27A, LEU46A, LEU68A, LEU82B, LYS150B, LYS18A, LYS47A, LYS75A, MET142B, MET1B, MET217B, MET49A, MET87B, MET90B, PHE155B, PHE19B, PHE212B, PHE218B, PHE21B, PHE231B, PHE93B, PRO116B, PRO117B, PRO11A, PRO143B, PRO20B, PRO47B, PRO48B, SER17A, SER221B, SER2B, SER45A, SER86B, THR12A, THR223B, THR92B, TRP23A, TYR25B, TYR59A, TYR80A, VAL147B, VAL15A, VAL26A, VAL51A, VAL55A, VAL67A, VAL81A, VAL9A