3BJB

crystal structure of a tetr transcriptional regulator from rhodococcus sp. rha1

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 125
  • Norm. En. per Res.: -3.9785
• Hub Node: A(3)

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	-50.3972	-166.6166	-284.095	-501.1088	127	10	11	13168	11	26	30
A-C	0.0	7.0513	-68.4872	-61.4359	50	1	4	3091	0	6	18
A-D	-8.6761	-18.5192	-58.1091	-85.3044	45	2	0	2764	1	18	20
B-C	-12.3988	-59.5976	-68.448	-140.4443	41	4	0	2721	7	19	20
B-D	0.0	0.0	-51.5687	-51.5687	35	3	2	2357	0	0	1
C-D	-49.2022	-155.6536	-292.456	-497.3118	125	14	9	13617	7	26	29
C-E	-8.4904	29.6228	-151.735	-130.6026	50	4	5	5661	0	12	19
C-F	-10.2002	0.0	-11.0534	-21.2536	18	1	0	722	0	7	6
D-F	0.0	-5.6744	-11.5379	-17.2123	16	1	0	510	0	6	4
E-F	-71.7686	-136.3567	-276.256	-484.3813	133	10	9	12870	7	25	30

Interface residues

• A-B: ALA125A, ALA125B, ALA128A, ALA128B, ALA133A, ALA133B, ALA160A, ALA160B, ALA185A, ALA185B, ALA192A, ALA192B, ARG138A, ARG138B, ARG162A, ARG162B, ARG179A, ARG179B, ARG190A, ARG190B, ARG191A, ARG191B, ASN126A, ASN126B, ASN177A, ASN177B, ASN199A, ASN199B, ASP132A, ASP132B, ASP137A, ASP137B, ASP157A, ASP157B, ASP184A, ASP184B, ASP188A, ASP188B, ASP194A, ASP194B, CYS175A, CYS175B, CYS193A, CYS193B, GLN120A, GLN120B, GLN166A, GLN166B, GLN173A, GLN173B, GLU155A, GLU156A, GLU156B, GLY134A, GLY134B, GLY170A, GLY170B, GLY178A, GLY178B, ILE119A, ILE119B, ILE172A, ILE172B, ILE189A, ILE189B, ILE76A, LEU158A, LEU161A, LEU161B, LEU163A, LEU163B, LEU164A, LEU164B, LEU167A, LEU167B, LEU176A, LEU176B, LEU195A, LEU195B, LEU196A, LEU196B, LEU197A, LEU197B, LEU38B, LYS135A, LYS135B, PHE140A, PHE169A, PHE169B, PRO131A, SER121A, SER121B, SER123A, SER123B, SER129A, SER129B, SER174A, SER174B, SER187A, SER187B, THR116A, THR116B, THR122A, THR122B, THR124A, THR124B, THR159A, THR159B, THR65B, TRP168A, TRP168B, VAL127A, VAL127B, VAL130A, VAL130B, VAL136A, VAL136B, VAL165A, VAL165B, VAL171A, VAL171B, VAL180A, VAL180B, VAL198A, VAL198B, VAL69A, VAL69B
• A-C: ALA39A, ALA39C, ALA47C, ALA53A, ALA53C, ARG40A, ARG40C, ARG59A, ARG59C, GLN120A, GLN120C, GLN42A, GLN42C, GLU37A, GLU45A, GLU45C, GLY55A, GLY55C, HIS44A, HIS44C, HIS66A, HIS66C, ILE54A, ILE54C, LEU38A, LEU38C, LEU57A, LEU57C, LYS64A, LYS64C, PHE61A, PHE61C, PRO62A, PRO62C, SER121A, SER121C, SER129C, SER63A, SER63C, THR124A, THR124C, THR56A, THR56C, THR65A, THR65C, TYR58A, TYR58C, VAL41A, VAL41C, VAL46C
• A-D: ALA113A, ALA117A, ALA33A, ALA39D, ALA53D, ARG110A, ARG111A, ARG179A, ARG40A, ARG40D, ARG49A, ASN177A, CYS175A, GLN120D, GLN42A, GLN42D, GLU31A, GLU35A, GLU37A, GLU37D, GLU45A, GLU45D, GLY178A, GLY55D, HIS44D, ILE182A, ILE54D, LEU109A, LEU114A, LEU176A, LEU32A, LEU38A, LEU38D, LYS36A, LYS36D, LYS48D, LYS64D, PRO112A, SER181A, THR116A, THR124D, THR34A, TYR58D, VAL41A, VAL41D
• B-C: ALA113C, ALA33C, ALA39B, ALA39C, ALA53B, ARG110C, ARG111C, ARG40B, ARG40C, ARG49C, ASN177C, CYS175C, GLN120B, GLN42B, GLN42C, GLU31C, GLU35C, GLU37B, GLU37C, GLU45B, GLU45C, GLY178C, GLY55B, HIS44B, ILE182C, ILE54B, LEU109C, LEU114C, LEU176C, LEU32C, LEU38B, LEU38C, LYS36B, LYS36C, LYS64B, PRO112C, SER181C, THR34C, TYR58B, VAL41B, VAL41C
• B-D: ALA128B, ALA128D, ARG59B, ARG59D, ASN126B, ASN126D, GLY55B, GLY55D, HIS66B, HIS66D, ILE54B, ILE54D, LEU57B, LEU57D, LYS64B, PHE61B, PHE61D, PRO131B, PRO131D, PRO62B, PRO62D, SER129B, SER129D, SER63B, SER63D, THR56B, THR56D, TYR58B, TYR58D, TYR60B, TYR60D, VAL127B, VAL127D, VAL130B, VAL130D
• C-D: ALA125C, ALA125D, ALA128C, ALA128D, ALA133C, ALA133D, ALA160C, ALA160D, ALA185C, ALA185D, ALA192C, ALA192D, ARG138C, ARG138D, ARG162C, ARG162D, ARG179C, ARG179D, ARG190C, ARG190D, ARG191C, ARG191D, ASN126C, ASN126D, ASN177C, ASN177D, ASN199C, ASN199D, ASP132C, ASP132D, ASP137C, ASP137D, ASP184C, ASP184D, ASP188C, ASP188D, ASP194C, ASP194D, CYS175C, CYS175D, CYS193C, CYS193D, GLN120C, GLN120D, GLN166C, GLN166D, GLN173C, GLN173D, GLU155C, GLU156C, GLU156D, GLY134C, GLY134D, GLY170C, GLY170D, GLY178C, GLY178D, ILE119C, ILE119D, ILE172C, ILE172D, ILE189C, ILE189D, ILE76C, LEU158C, LEU163C, LEU163D, LEU164C, LEU164D, LEU167C, LEU167D, LEU176C, LEU176D, LEU195C, LEU195D, LEU196C, LEU196D, LEU197C, LEU197D, LEU200C, LEU38D, LYS135C, LYS135D, PHE140C, PHE169C, PHE169D, PRO112D, PRO131C, PRO131D, SER121C, SER121D, SER123C, SER123D, SER129C, SER129D, SER174C, SER174D, SER187C, SER187D, THR116C, THR116D, THR122C, THR122D, THR124C, THR124D, THR159C, THR159D, TRP168C, TRP168D, VAL127C, VAL127D, VAL130C, VAL130D, VAL136C, VAL136D, VAL165C, VAL165D, VAL171C, VAL171D, VAL180C, VAL180D, VAL198C, VAL198D, VAL69C, VAL69D
• C-E: ALA104C, ALA147C, ALA47E, ALA53E, ALA87C, ALA96C, ARG103C, ARG106C, ARG110C, ARG190C, ARG21E, ARG40E, ARG49E, ARG59E, ARG78C, ASN99C, ASP146C, ASP95C, GLN42E, GLU186C, GLU45E, GLY107C, GLY55E, GLY80C, GLY82C, HIS44E, ILE54E, LEU101C, LEU57E, LYS36E, LYS48E, LYS64E, LYS84C, LYS85C, PHE61E, PHE83C, PRO62E, SER63E, SER86C, THR56E, TYR58E, TYR60E, TYR98C, VAL100C, VAL102C, VAL41E, VAL46E, VAL52E, VAL81C, VAL97C
• C-F: ALA39F, ARG191C, ARG40F, ASN199C, ASP194C, GLN42F, GLU37F, GLU45F, HIS202C, HIS44F, LEU195C, LEU197C, LEU200C, LYS36F, SER201C, TYR58F, VAL198C, VAL41F
• D-F: ALA47F, ALA53F, ASN199D, ASP157D, GLN42F, GLU156D, GLU45F, GLY55F, HIS44F, ILE54F, LEU200D, LYS48F, SER201D, THR154D, TYR58F, VAL198D
• E-F: ALA125E, ALA125F, ALA128E, ALA128F, ALA133E, ALA133F, ALA160E, ALA160F, ALA185E, ALA185F, ALA192E, ALA192F, ARG138E, ARG138F, ARG162E, ARG162F, ARG179E, ARG179F, ARG190E, ARG190F, ARG191E, ARG191F, ASN126E, ASN126F, ASN177E, ASN177F, ASN199E, ASN199F, ASP132E, ASP132F, ASP137E, ASP137F, ASP157E, ASP157F, ASP184E, ASP184F, ASP188E, ASP188F, ASP194E, ASP194F, CYS175E, CYS175F, CYS193E, CYS193F, GLN120E, GLN120F, GLN166E, GLN166F, GLN173E, GLN173F, GLU155E, GLU155F, GLU156E, GLU156F, GLU37E, GLU37F, GLY134E, GLY134F, GLY170E, GLY170F, GLY178E, GLY178F, ILE119E, ILE119F, ILE172E, ILE189E, ILE189F, LEU158F, LEU161E, LEU163E, LEU163F, LEU164E, LEU164F, LEU167E, LEU167F, LEU176E, LEU176F, LEU195E, LEU195F, LEU196E, LEU196F, LEU197E, LEU197F, LEU200E, LEU38E, LEU38F, LYS135E, LYS135F, PHE140F, PHE169E, PHE169F, PRO112E, PRO112F, PRO131E, PRO131F, SER121E, SER121F, SER123E, SER123F, SER129E, SER129F, SER174E, SER174F, SER187E, SER187F, THR116E, THR116F, THR122E, THR122F, THR124E, THR124F, THR154E, THR159E, THR159F, THR65E, THR65F, TRP168E, TRP168F, VAL127E, VAL127F, VAL130E, VAL130F, VAL136E, VAL136F, VAL165E, VAL165F, VAL171E, VAL171F, VAL180E, VAL180F, VAL198E, VAL198F, VAL69E