3ZQJ

mycobacterium tuberculosis uvra

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 313
  • Norm. En. per Res.: -3.5154
• Hub Node: B(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	0.0	5.9973	-63.6973	-57.7	33	3	1	2835	0	12	11
A-D	0.0	90.8847	-40.2564	50.6283	58	6	0	2900	0	64	66
B-C	0.0	49.2976	-52.1593	-2.8617	56	5	0	2939	2	63	63
B-D	-182.6237	-268.36	-649.348	-1100.3317	313	68	17	30815	15	133	100
B-E	-2.6489	8.3123	-53.1745	-47.5111	35	0	1	2640	0	11	11
C-D	0.0	7.4459	-54.975	-47.5291	33	2	1	2727	0	11	12
C-E	-89.7333	-232.4977	-681.503	-1003.734	316	49	15	29879	15	130	104
D-F	-9.0238	-33.4119	-79.2555	-121.6912	89	12	2	5574	0	25	13
E-F	0.0	-3.2463	-19.8787	-23.125	19	7	0	1277	0	8	5

Interface residues

• A-B: ALA459B, ALA468B, ALA470B, ALA604A, ARG115B, ARG465B, ARG478B, ARG596A, ARG609A, ASN597A, ASP592A, GLN467B, GLN472B, GLU466B, GLU566A, GLU593A, GLY463B, GLY471B, GLY603A, GLY608A, ILE469B, LEU460B, LEU462B, LEU474B, LEU594A, LEU595A, LEU606A, LYS475B, LYS598A, PRO464B, SER607A, TYR591A, VAL473B
• A-D: ARG11A, ARG11D, ARG16A, ARG16D, ARG584A, ARG584D, ARG596A, ARG596D, ASN14A, ASN14D, ASN597A, ASN597D, ASP19A, ASP599A, ASP599D, ASP73A, ASP73D, ASP75A, ASP75D, GLU580A, GLU580D, GLU593A, GLU593D, GLU807A, GLU807D, GLU811A, GLU811D, GLU814A, GLU814D, GLY575A, GLY575D, GLY577A, GLY582A, GLY582D, GLY583A, GLY583D, HIS581A, HIS581D, HIS587A, HIS587D, HIS820A, HIS820D, ILE585A, ILE585D, ILE601A, ILE601D, LEU15A, LEU15D, LYS598A, LYS598D, LYS8D, PRO576A, PRO576D, SER17A, SER17D, SER600D, VAL586A, VAL586D
• B-C: ARG11B, ARG11C, ARG16B, ARG16C, ARG584B, ARG584C, ARG596B, ARG596C, ASN14B, ASN14C, ASN597B, ASN597C, ASP599B, ASP599C, ASP73B, ASP73C, ASP75B, ASP75C, GLU580B, GLU580C, GLU593B, GLU593C, GLU807B, GLU807C, GLU811B, GLU811C, GLU814B, GLU814C, GLY575B, GLY575C, GLY582B, GLY582C, HIS581B, HIS581C, HIS587B, HIS587C, HIS820B, HIS820C, ILE585B, ILE585C, ILE601B, ILE601C, LEU15B, LEU15C, LYS598B, LYS598C, LYS8B, LYS8C, PRO576B, PRO576C, SER17B, SER17C, SER600B, SER600C, VAL586B, VAL586C
• B-D: ALA164B, ALA164D, ALA172B, ALA172D, ALA229B, ALA229D, ALA2B, ALA2D, ALA60B, ALA60D, ALA62B, ALA62D, ALA755B, ALA755D, ALA83B, ALA83D, ARG11B, ARG11D, ARG157B, ARG157D, ARG159B, ARG159D, ARG24B, ARG24D, ARG271B, ARG271D, ARG480B, ARG480D, ARG4B, ARG4D, ARG510B, ARG510D, ARG52B, ARG52D, ARG53B, ARG53D, ARG63B, ARG63D, ARG711B, ARG711D, ARG743B, ARG743D, ARG752B, ARG752D, ARG786B, ARG786D, ASN171B, ASN171D, ASN227B, ASN227D, ASN553B, ASN553D, ASN747B, ASN747D, ASN767B, ASN767D, ASN785B, ASN785D, ASN92B, ASN92D, ASN94B, ASN94D, ASP107B, ASP107D, ASP165B, ASP165D, ASP168B, ASP168D, ASP230B, ASP230D, ASP25B, ASP25D, ASP3B, ASP3D, ASP550B, ASP550D, ASP73B, ASP73D, ASP759B, ASP759D, ASP75B, ASP75D, ASP771B, ASP771D, CYS753B, CYS753D, CYS756B, CYS756D, CYS776B, CYS776D, CYS779B, CYS779D, GLN196B, GLN196D, GLN472B, GLN472D, GLN514B, GLN514D, GLN51B, GLN51D, GLN64B, GLN64D, GLN68B, GLN68D, GLN780B, GLN780D, GLU104B, GLU104D, GLU162B, GLU162D, GLU197B, GLU197D, GLU269B, GLU476B, GLU476D, GLU49B, GLU49D, GLU56B, GLU56D, GLU754B, GLU754D, GLU765B, GLU765D, GLU777B, GLU777D, GLU787B, GLU787D, GLU78B, GLU78D, GLY161B, GLY161D, GLY231D, GLY50B, GLY50D, GLY516B, GLY516D, GLY518B, GLY518D, GLY521B, GLY521D, GLY552B, GLY552D, GLY67B, GLY67D, GLY750B, GLY750D, GLY751B, GLY751D, GLY758B, GLY758D, GLY760B, GLY760D, GLY79B, GLY79D, GLY9B, GLY9D, HIS199B, HIS199D, ILE102B, ILE102D, ILE509B, ILE509D, ILE515B, ILE515D, ILE6B, ILE762B, ILE762D, ILE764B, ILE764D, ILE77B, ILE77D, ILE86B, ILE86D, LEU111B, LEU111D, LEU166B, LEU166D, LEU170B, LEU170D, LEU193B, LEU226D, LEU228B, LEU228D, LEU519B, LEU519D, LEU523B, LEU523D, LEU551B, LEU551D, LEU58B, LEU58D, LEU5B, LEU5D, LEU66B, LEU66D, LEU769B, LEU769D, LEU80B, LEU80D, LYS160B, LYS160D, LYS169B, LYS169D, LYS192D, LYS194B, LYS194D, LYS195B, LYS195D, LYS198B, LYS198D, LYS475B, LYS475D, LYS71B, LYS71D, LYS749B, LYS749D, LYS763B, LYS763D, LYS8B, LYS8D, MET766B, MET766D, PHE163B, PHE163D, PHE167B, PHE167D, PHE47B, PHE47D, PHE483B, PHE483D, PHE65B, PHE65D, PHE746B, PHE768B, PHE768D, PHE76B, PHE76D, PRO710B, PRO710D, PRO770B, PRO770D, PRO775B, PRO775D, PRO82B, PRO82D, SER479B, SER479D, SER517B, SER517D, SER57B, SER57D, SER59B, SER59D, SER81B, SER81D, SER85B, SER85D, SER90B, SER90D, SER97B, SER97D, THR101B, THR101D, THR103B, THR103D, THR158B, THR158D, THR513B, THR513D, THR554B, THR554D, THR709B, THR709D, THR757B, THR757D, THR761B, THR761D, THR788B, THR788D, TYR108B, TYR108D, TYR524B, TYR524D, TYR54B, TYR54D, TYR61B, TYR61D, TYR739B, TYR739D, TYR773B, VAL105B, VAL105D, VAL155B, VAL155D, VAL156B, VAL156D, VAL520B, VAL520D, VAL522B, VAL522D, VAL55B, VAL55D, VAL748B, VAL748D, VAL74B, VAL74D, VAL772B, VAL774B, VAL774D, VAL778B, VAL778D, VAL84B, VAL84D
• B-E: ALA459E, ALA468E, ALA470E, ALA604B, ARG115E, ARG465E, ARG478E, ARG596B, ARG609B, ASN597B, ASP592B, GLN467E, GLN472E, GLU466E, GLU566B, GLU593B, GLY463E, GLY471E, GLY603B, GLY608B, ILE469E, LEU460E, LEU462E, LEU474E, LEU594B, LEU595B, LEU606B, LYS475E, LYS598B, PRO464E, PRO590B, SER607B, THR461E, TYR591B, VAL473E
• C-D: ALA459D, ALA468D, ALA470D, ALA604C, ARG115D, ARG465D, ARG478D, ARG596C, ARG609C, ASN597C, ASP592C, GLN467D, GLN472D, GLU466D, GLU566C, GLU593C, GLY463D, GLY471D, GLY603C, GLY608C, ILE469D, LEU460D, LEU462D, LEU474D, LEU594C, LEU595C, LEU606C, LYS475D, LYS598C, PRO464D, SER607C, TYR591C, VAL473D
• C-E: ALA164C, ALA164E, ALA172C, ALA172E, ALA229C, ALA229E, ALA2C, ALA2E, ALA60C, ALA60E, ALA62C, ALA62E, ALA755C, ALA755E, ALA83C, ALA83E, ARG11C, ARG11E, ARG157C, ARG157E, ARG159C, ARG159E, ARG24C, ARG24E, ARG271C, ARG271E, ARG480C, ARG480E, ARG4C, ARG4E, ARG510C, ARG510E, ARG52C, ARG52E, ARG53C, ARG53E, ARG63C, ARG63E, ARG711C, ARG711E, ARG743C, ARG743E, ARG752C, ARG752E, ARG786C, ARG786E, ASN171C, ASN171E, ASN227C, ASN227E, ASN553C, ASN553E, ASN747C, ASN747E, ASN767C, ASN767E, ASN785C, ASN785E, ASN92C, ASN92E, ASN94C, ASN94E, ASP107C, ASP107E, ASP165C, ASP165E, ASP168C, ASP168E, ASP230C, ASP230E, ASP25C, ASP25E, ASP3C, ASP3E, ASP550C, ASP550E, ASP70C, ASP73C, ASP73E, ASP759C, ASP759E, ASP75C, ASP75E, ASP771C, ASP771E, CYS753C, CYS753E, CYS756C, CYS756E, CYS776C, CYS776E, CYS779C, CYS779E, GLN173C, GLN173E, GLN196C, GLN196E, GLN472C, GLN472E, GLN514C, GLN514E, GLN51C, GLN51E, GLN64C, GLN64E, GLN68C, GLN68E, GLN780C, GLN780E, GLU104C, GLU104E, GLU162C, GLU162E, GLU197C, GLU197E, GLU269C, GLU476C, GLU476E, GLU49C, GLU49E, GLU56C, GLU56E, GLU754C, GLU754E, GLU765C, GLU765E, GLU777C, GLU777E, GLU787C, GLU787E, GLU78C, GLU78E, GLY161C, GLY161E, GLY231C, GLY231E, GLY50C, GLY50E, GLY516C, GLY516E, GLY518C, GLY518E, GLY521C, GLY521E, GLY552C, GLY552E, GLY67C, GLY67E, GLY750C, GLY750E, GLY751C, GLY751E, GLY758C, GLY758E, GLY760C, GLY760E, GLY781C, GLY79C, GLY79E, GLY9C, GLY9E, HIS199C, HIS199E, ILE102C, ILE102E, ILE201C, ILE201E, ILE509C, ILE509E, ILE515C, ILE515E, ILE762C, ILE762E, ILE764C, ILE764E, ILE77C, ILE77E, ILE86C, ILE86E, LEU111C, LEU111E, LEU166C, LEU166E, LEU170C, LEU170E, LEU193C, LEU193E, LEU226C, LEU226E, LEU228C, LEU228E, LEU519C, LEU519E, LEU523C, LEU523E, LEU551C, LEU551E, LEU58C, LEU58E, LEU5C, LEU5E, LEU66C, LEU66E, LEU769C, LEU769E, LEU80C, LEU80E, LYS160C, LYS160E, LYS169C, LYS169E, LYS194E, LYS195C, LYS195E, LYS198C, LYS198E, LYS475C, LYS475E, LYS71C, LYS71E, LYS749C, LYS749E, LYS763C, LYS763E, LYS8C, LYS8E, MET766C, MET766E, PHE163C, PHE163E, PHE167C, PHE167E, PHE47C, PHE47E, PHE483C, PHE483E, PHE65C, PHE65E, PHE746E, PHE768C, PHE768E, PHE76C, PHE76E, PRO710C, PRO710E, PRO770C, PRO770E, PRO775C, PRO775E, PRO82C, PRO82E, SER479C, SER479E, SER517C, SER517E, SER57C, SER57E, SER59C, SER59E, SER81C, SER81E, SER85C, SER85E, SER90C, SER90E, SER97C, SER97E, THR101C, THR101E, THR103C, THR103E, THR158C, THR158E, THR513C, THR513E, THR554C, THR554E, THR709C, THR709E, THR757C, THR757E, THR761C, THR761E, THR788E, TYR108C, TYR108E, TYR524C, TYR524E, TYR54C, TYR54E, TYR61C, TYR61E, TYR739E, TYR773C, VAL105C, VAL105E, VAL155C, VAL155E, VAL156C, VAL156E, VAL520C, VAL520E, VAL522C, VAL522E, VAL55C, VAL55E, VAL748C, VAL748E, VAL74C, VAL74E, VAL774C, VAL774E, VAL778C, VAL778E, VAL84C, VAL84E
• D-F: ALA632D, ALA923D, ALA923F, ALA930D, ALA930F, ALA938D, ALA939D, ALA939F, ALA942D, ALA942F, ARG624D, ARG624F, ARG625F, ARG633D, ARG633F, ARG638D, ARG638F, ARG688D, ARG688F, ASN636D, ASN636F, ASP622F, ASP641D, ASP641F, ASP916D, ASP916F, ASP936D, ASP936F, GLN626D, GLN626F, GLN931D, GLN931F, GLU920D, GLU920F, GLU935D, GLU935F, GLY631D, GLY631F, GLY639D, GLY639F, GLY918D, GLY918F, GLY922D, GLY922F, GLY924D, GLY924F, GLY925D, GLY925F, GLY926D, GLY926F, GLY932D, GLY932F, HIS635F, ILE640D, ILE640F, LEU637F, PRO623D, PRO623F, PRO919D, PRO919F, PRO941D, PRO941F, SER643D, SER643F, SER943D, SER943F, THR628F, THR687D, THR687F, THR927D, THR927F, THR933D, THR933F, TRP913D, TRP913F, TYR944D, VAL445D, VAL630D, VAL630F, VAL642D, VAL642F, VAL928D, VAL928F, VAL929D, VAL929F, VAL937D, VAL937F, VAL940D, VAL940F
• E-F: ALA468F, ALA470F, ARG115F, ARG465F, ARG596E, ASP592E, GLN467F, GLN472F, GLU466F, GLU566E, GLU593E, GLY463F, GLY471F, ILE469F, LEU594E, LEU595E, PRO464F, PRO590E, TYR591E