3IRS

crystal structure of uncharacterized tim-barrel protein bb4693 from bordetella bronchiseptica

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 89
  • Norm. En. per Res.: -2.8374
• 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	-18.159	18.9083	-239.057	-238.3077	87	4	2	8832	0	16	19
A-C	-11.8499	19.7033	-260.998	-253.1446	92	3	2	9658	0	17	23
B-C	-26.5689	21.9602	-247.923	-252.5317	89	3	2	9042	0	17	18

Interface residues

• A-B: ALA160B, ALA201A, ALA222A, ALA222B, ALA227A, ARG174A, ARG203A, ARG204A, ARG235A, ARG29B, ARG32B, ASN159B, ASN168A, ASN168B, ASN190A, ASN190B, ASN217B, ASP134A, ASP163B, ASP173A, ASP178A, ASP223A, ASP223B, GLN195A, GLN195B, GLN226A, GLN33B, GLU170A, GLU170B, GLU196A, GLU196B, GLY125B, GLY157B, GLY158B, GLY161B, GLY177A, GLY220A, GLY220B, GLY35B, HIS132B, HIS171A, HIS171B, HIS199A, HIS221B, ILE164B, ILE172A, ILE197A, ILE197B, ILE198A, ILE198B, LEU215B, LEU218B, LEU232A, LEU34B, LEU72B, MET155B, MET213B, MET244B, PHE202A, PHE224A, PHE224B, PHE231A, PHE30B, PRO162B, PRO169A, PRO169B, PRO192B, PRO205A, PRO219A, PRO219B, SER230A, THR165B, THR167B, THR31B, TRP191B, TRP193A, TRP193B, TRP253B, TYR166B, TYR214B, TYR216B, VAL126B, VAL175A, VAL194A, VAL194B, VAL200A, VAL71B
• A-C: ALA160A, ALA201C, ALA222A, ALA222C, ALA227C, ALA228C, ARG174C, ARG203C, ARG204C, ARG235C, ARG29A, ARG32A, ASN159A, ASN168A, ASN168C, ASN190A, ASN190C, ASN217A, ASN229C, ASP134C, ASP163A, ASP173C, ASP178C, ASP223A, ASP223C, CYS245A, GLN195A, GLN195C, GLN226C, GLN33A, GLU170A, GLU170C, GLU196A, GLU196C, GLY125A, GLY157A, GLY158A, GLY161A, GLY177C, GLY220A, GLY220C, GLY35A, HIS132A, HIS171C, HIS199C, HIS221A, ILE164A, ILE172C, ILE197A, ILE197C, ILE198C, ILE225C, LEU176C, LEU215A, LEU218A, LEU232C, LEU34A, LEU72A, LYS260C, MET155A, MET213A, MET244A, PHE202C, PHE224A, PHE224C, PHE231C, PHE30A, PRO162A, PRO169A, PRO169C, PRO192A, PRO192C, PRO205C, PRO219A, PRO219C, SER230C, THR165A, THR167A, THR31A, TRP191A, TRP193A, TRP193C, TRP253A, TYR166A, TYR214A, TYR216A, VAL126A, VAL175C, VAL194A, VAL194C, VAL200C, VAL71A
• B-C: ALA160C, ALA201B, ALA222B, ALA222C, ALA227B, ARG174B, ARG203B, ARG204B, ARG235B, ARG29C, ARG32C, ASN159C, ASN168B, ASN168C, ASN190B, ASN190C, ASN217C, ASN229B, ASP134B, ASP163C, ASP173B, ASP178B, ASP223B, ASP223C, GLN195B, GLN195C, GLN226B, GLN33C, GLU170B, GLU170C, GLU196B, GLU196C, GLY125C, GLY157C, GLY158C, GLY161C, GLY177B, GLY220B, GLY220C, GLY35C, HIS132C, HIS171B, HIS171C, HIS199B, HIS221C, ILE164C, ILE172B, ILE197B, ILE197C, ILE198B, LEU176B, LEU215C, LEU218C, LEU232B, LEU34C, LEU72C, LYS260B, MET155C, MET213C, MET244C, PHE202B, PHE224B, PHE224C, PHE231B, PHE30C, PRO162C, PRO169B, PRO169C, PRO192C, PRO205B, PRO219B, PRO219C, SER230B, THR165C, THR167C, THR31C, TRP191C, TRP193B, TRP193C, TRP253C, TYR166C, TYR214C, TYR216C, VAL126C, VAL175B, VAL194B, VAL194C, VAL200B, VAL71C