2VG3

rv2361 with citronellyl pyrophosphate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 185
  • Norm. En. per Res.: -4.6028
• 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	-37.7384	-35.0382	-185.426	-258.2026	66	3	0	6707	5	21	28
A-C	-143.0584	-91.8487	-616.605	-851.512	185	25	17	24279	11	54	68
A-D	-18.984	-3.2305	-86.199	-108.4135	53	6	0	4060	2	32	30
B-D	-120.1789	-92.8458	-602.663	-815.6877	184	21	17	23969	11	55	69

Interface residues

• A-B: ALA262B, ALA287B, ALA296B, ALA64B, ARG127A, ARG133A, ARG140A, ARG144A, ARG145A, ARG146A, ARG147A, ARG165A, ARG168A, ARG289B, ARG291B, ARG292B, ARG66B, ASN139A, ASN172A, ASN69B, ASP141A, ASP238B, ASP240B, ASP65B, GLU130A, GLU131A, GLU173A, GLU263B, GLY111B, GLY137A, GLY294B, HIS70B, ILE171A, ILE62B, LEU135A, LEU166A, LEU241B, LEU67B, LYS113B, MET136A, PHE120A, PHE134A, PHE138A, PHE13B, PHE293B, PRO129A, PRO14B, PRO237B, PRO33A, PRO63B, PRO68B, SER128A, SER169A, SER288B, SER295B, THR290B, TRP114B, TRP125A, TRP167A, TYR261B, TYR286B, VAL132A, VAL142A, VAL143A, VAL170A, VAL239B
• A-C: ALA204A, ALA204C, ALA209A, ALA209C, ALA213A, ALA213C, ALA214A, ALA214C, ALA228A, ALA228C, ALA259A, ALA259C, ALA260A, ALA260C, ALA262A, ALA262C, ALA296A, ALA296C, ARG127A, ARG127C, ARG198A, ARG198C, ARG206A, ARG206C, ARG210A, ARG210C, ARG221A, ARG221C, ARG244A, ARG244C, ARG250A, ARG250C, ARG289A, ARG289C, ARG291A, ARG291C, ARG292A, ARG292C, ARG80A, ARG80C, ARG89A, ARG89C, ASN124A, ASN124C, ASN218A, ASN218C, ASN253A, ASN253C, ASN78C, ASP238A, ASP238C, ASP240A, ASP240C, ASP76A, ASP76C, GLN249A, GLN249C, GLN258A, GLN258C, GLU123A, GLU123C, GLU131A, GLU131C, GLU200A, GLU200C, GLU203A, GLU203C, GLU207A, GLU207C, GLU211A, GLU211C, GLU220A, GLU220C, GLU224A, GLU224C, GLU248A, GLU248C, GLU263A, GLU263C, GLU285A, GLU285C, GLY196A, GLY196C, GLY197A, GLY197C, GLY215A, GLY215C, GLY247A, GLY247C, GLY294A, GLY294C, GLY77A, GLY77C, GLY79A, GLY79C, HIS230A, HIS230C, HIS93A, ILE201A, ILE201C, ILE208A, ILE208C, ILE222A, ILE222C, ILE227A, ILE227C, ILE236A, ILE236C, ILE265A, ILE265C, LEU135A, LEU217A, LEU217C, LEU231A, LEU231C, LEU241A, LEU241C, LEU256A, LEU256C, LEU270C, LYS126A, LYS126C, MET255A, MET255C, PHE242A, PHE242C, PHE254A, PHE254C, PHE266A, PHE266C, PHE293A, PHE293C, PRO219A, PRO219C, PRO237A, PRO237C, SER121A, SER121C, SER128A, SER128C, SER162C, SER225A, SER225C, SER246A, SER246C, SER251A, SER251C, SER252A, SER252C, SER295A, SER295C, THR122A, THR122C, THR199A, THR199C, THR202A, THR202C, THR205A, THR205C, THR223A, THR223C, THR226A, THR226C, THR290A, THR290C, THR83C, TRP125A, TRP125C, TRP257A, TRP257C, TYR118A, TYR118C, TYR195A, TYR195C, TYR261A, TYR261C, TYR264A, TYR264C, TYR286A, VAL132A, VAL132C, VAL212A, VAL212C, VAL239A, VAL239C
• A-D: ARG127D, ARG133A, ARG133D, ARG140A, ARG144A, ARG145A, ARG146A, ARG147A, ARG165D, ARG250D, ARG80D, ARG89D, ASN124D, ASN78D, ASP141A, ASP148A, GLU123D, GLU130D, GLU131D, GLU173A, GLU38A, GLU97A, GLY79D, HIS93D, LEU135D, LEU150A, LEU153A, LEU39A, LYS126D, LYS151A, LYS152A, LYS94A, MET180A, PHE134A, PHE138A, PHE26A, PHE36A, PRO129D, PRO33A, PRO37A, SER128D, THR149A, THR31A, THR83D, TRP125D, TRP167D, TRP32A, VAL132D, VAL142A, VAL143A, VAL176A, VAL34A, VAL35A
• B-D: ALA204B, ALA204D, ALA209B, ALA209D, ALA213B, ALA213D, ALA214B, ALA214D, ALA228B, ALA228D, ALA259B, ALA259D, ALA260B, ALA260D, ALA262B, ALA262D, ALA296B, ALA296D, ARG127B, ARG127D, ARG198B, ARG198D, ARG206B, ARG206D, ARG210B, ARG210D, ARG221B, ARG221D, ARG244B, ARG244D, ARG250B, ARG250D, ARG289B, ARG289D, ARG291B, ARG291D, ARG292B, ARG292D, ARG80B, ARG80D, ARG89B, ARG89D, ASN124B, ASN124D, ASN218B, ASN218D, ASN253B, ASN253D, ASN78D, ASP238B, ASP238D, ASP240B, ASP240D, ASP76B, ASP76D, GLN249B, GLN249D, GLN258B, GLN258D, GLU123B, GLU123D, GLU131B, GLU131D, GLU200B, GLU200D, GLU203B, GLU203D, GLU207B, GLU207D, GLU211B, GLU211D, GLU220B, GLU220D, GLU224B, GLU224D, GLU248B, GLU248D, GLU263B, GLU263D, GLU285B, GLU285D, GLY196B, GLY196D, GLY197B, GLY197D, GLY215B, GLY215D, GLY247B, GLY247D, GLY294B, GLY294D, GLY77B, GLY77D, GLY79B, GLY79D, HIS230B, HIS230D, HIS93B, ILE201B, ILE201D, ILE208B, ILE208D, ILE222B, ILE222D, ILE227B, ILE227D, ILE236B, ILE236D, ILE265B, ILE265D, LEU135B, LEU217B, LEU217D, LEU231B, LEU231D, LEU241B, LEU241D, LEU256B, LEU256D, LEU270D, LYS126B, LYS126D, MET255B, MET255D, PHE242B, PHE242D, PHE254B, PHE254D, PHE266B, PHE266D, PHE293B, PHE293D, PRO219B, PRO219D, PRO237B, PRO237D, SER121B, SER121D, SER128B, SER128D, SER225B, SER225D, SER246B, SER246D, SER251B, SER251D, SER252B, SER252D, SER295B, SER295D, THR122B, THR122D, THR199B, THR199D, THR202B, THR202D, THR205B, THR205D, THR223B, THR223D, THR226B, THR226D, THR290B, THR290D, THR83D, TRP125B, TRP125D, TRP257B, TRP257D, TRP81D, TYR118B, TYR118D, TYR195B, TYR261B, TYR261D, TYR264B, TYR264D, TYR286B, VAL132B, VAL132D, VAL212B, VAL212D, VAL239B, VAL239D