2ACL

liver x-receptor alpha ligand binding domain with sb313987

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 64
  • Norm. En. per Res.: -3.485
• Hub Node: C(4)

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	-36.7614	-53.3947	-338.183	-428.3391	157	24	11	16278	5	53	53
A-E	-12.9398	-0.3543	-187.209	-200.5031	76	5	6	8440	3	16	16
A-F	-21.0304	-64.2239	-137.784	-223.0383	64	17	4	6221	6	23	17
B-E	-9.5147	-34.0318	-89.6863	-133.2328	59	16	4	4980	4	21	12
B-H	0.0	6.7367	-0.0967	6.64	4	0	0	17	0	1	1
C-D	-28.7289	-44.1923	-352.829	-425.7502	166	27	12	16970	7	51	50
C-F	0.0	-23.7235	-29.7478	-53.4713	24	2	0	994	1	9	6
C-G	-7.8834	-17.0183	-173.527	-198.4287	74	16	6	7674	2	16	17
C-H	-18.3923	-28.1445	-150.624	-197.1609	77	19	5	7073	3	26	21
D-G	-17.6968	-67.2372	-133.413	-218.347	72	25	4	6310	5	24	16
E-F	-63.3306	-84.0462	-350.493	-497.8698	167	27	12	16665	9	53	51
E-H	0.0	9.1565	-22.9484	-13.7919	27	0	2	1135	0	11	14
F-H	0.0	14.2193	-8.9906	5.2287	16	0	0	638	0	8	5
G-H	-21.7019	-83.318	-395.18	-500.1999	164	31	12	18155	7	59	55

Interface residues

• A-B: ALA270B, ALA286B, ALA292B, ALA343B, ALA344A, ALA365B, ALA391A, ALA398A, ALA416A, ALA424A, ALA425B, ALA457A, ARG281B, ARG348A, ARG367B, ARG378B, ARG393A, ARG404B, ARG413B, ARG414A, ARG421A, ARG426A, ARG427B, ASN369B, ASN377A, ASP268B, ASP283B, ASP359A, ASP366B, ASP379A, ASP442B, ASP444A, ASP448A, GLN264B, GLN284B, GLN373B, GLN380B, GLN411A, GLU282B, GLU294B, GLU307A, GLU339B, GLU346B, GLU352A, GLU377B, GLU385B, GLU390A, GLU394A, GLU401A, GLU421B, GLU434A, GLU439B, GLU453A, GLU456A, GLY413A, GLY429A, GLY443A, HIS381B, HIS388B, HIS435A, ILE260B, ILE266B, ILE285B, ILE360B, ILE373A, ILE428A, ILE440B, ILE447A, LEU277B, LEU279B, LEU287B, LEU288B, LEU347B, LEU357B, LEU370A, LEU374B, LEU387B, LEU400A, LEU400B, LEU406B, LEU409B, LEU412B, LEU415B, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU428B, LEU430A, LEU436B, LEU437B, LEU441A, LEU451A, LEU455A, LYS271B, LYS289B, LYS356A, LYS395A, LYS405A, LYS408B, LYS417A, LYS431A, MET401B, MET405B, MET407B, MET452A, MET454A, PHE276B, PHE340B, PHE363B, PHE402B, PHE415A, PHE424B, PHE437A, PHE438A, PHE450A, PRO336B, PRO368B, PRO378A, PRO386A, PRO399B, PRO403B, PRO412A, PRO423A, PRO434B, PRO435B, PRO446A, SER280B, SER291B, SER361B, SER364B, SER392B, SER399A, SER411B, SER416B, SER417B, SER420B, SER427A, SER438B, THR290B, THR351A, THR414B, THR445A, THR449A, TRP441B, TYR397A, VAL202B, VAL263B, VAL267B, VAL370B, VAL374A, VAL384B, VAL396A, VAL410B, VAL418B, VAL443B
• A-E: ALA271A, ALA271E, ALA272A, ALA272E, ALA340A, ALA340E, ARG302A, ARG302E, ASN267A, ASN267E, ASN306A, ASN306E, ASP263A, ASP263E, ASP273A, ASP273E, ASP444A, ASP444E, CYS269A, CYS269E, CYS432A, CYS432E, GLN270A, GLN270E, GLU434A, GLU434E, GLY341A, GLY341E, GLY443A, GLY443E, HIS435A, HIS435E, ILE268A, ILE268E, ILE345A, ILE345E, ILE442A, ILE442E, LEU276A, LEU276E, LEU309A, LEU309E, LEU430A, LEU433A, LEU433E, LEU436A, LEU436E, LEU441A, LEU441E, LYS274A, LYS274E, LYS431A, LYS431E, LYS440A, LYS440E, PHE277A, PHE277E, PHE437A, PHE437E, PHE438A, PHE438E, PHE439A, PHE439E, PRO264A, PRO264E, SER339A, SER339E, THR266A, THR266E, THR445E, TRP305A, TRP305E, VAL265A, VAL265E, VAL342A, VAL342E
• A-F: ALA247F, ALA272A, ALA283A, ALA303A, ALA325F, ALA425F, ARG245F, ARG248F, ARG302A, ARG427F, ASN306A, ASP241F, ASP273A, ASP295A, ASP296A, ASP430F, ASP442F, CYS269A, GLN243F, GLN249F, GLN270A, GLN275A, GLN297A, GLN330F, GLN422F, GLN429F, GLU246F, GLU281A, GLU291A, GLU332F, GLU421F, GLY304A, GLY328F, GLY382A, ILE299A, LEU276A, LEU279A, LEU292A, LEU294A, LEU300A, LEU301A, LEU308A, LEU309A, LEU426F, LEU428F, LYS274A, LYS284A, LYS326F, LYS431F, LYS432F, PHE277A, PHE289A, PHE333F, PHE424F, PRO242F, PRO293A, SER244F, SER290A, SER384A, THR278A, TRP305A, VAL280A, VAL298A, VAL331F
• B-E: ALA271E, ALA272E, ALA283E, ALA303E, ALA325B, ALA425B, ARG245B, ARG248B, ARG302E, ARG427B, ASN306E, ASP273E, ASP295E, ASP296E, ASP430B, ASP442B, CYS269E, GLN243B, GLN270E, GLN275E, GLN297E, GLN330B, GLN422B, GLN429B, GLU281E, GLU291E, GLU332B, GLU421B, GLY304E, GLY328B, GLY382E, ILE299E, LEU276E, LEU279E, LEU294E, LEU300E, LEU301E, LEU308E, LEU309E, LEU329B, LEU375E, LEU426B, LEU428B, LYS274E, LYS284E, LYS326B, LYS431B, PHE277E, PHE289E, PHE333B, PHE424B, PRO293E, SER244B, SER290E, THR278E, TRP305E, VAL280E, VAL298E, VAL331B
• B-H: ARG230H, ASP241B, ASP316H, PRO242B
• C-D: ALA270D, ALA286D, ALA292D, ALA343D, ALA365D, ALA391C, ALA398C, ALA416C, ALA424C, ALA425D, ALA457C, ARG225D, ARG232D, ARG281D, ARG342D, ARG348C, ARG367D, ARG393C, ARG404D, ARG413D, ARG414C, ARG421C, ARG426C, ARG427D, ASN335D, ASN369D, ASN377C, ASP229D, ASP268D, ASP283D, ASP359C, ASP366D, ASP379C, ASP442D, ASP444C, ASP448C, GLN264D, GLN284D, GLN373D, GLN380D, GLN422D, GLU265D, GLU282D, GLU294D, GLU307C, GLU332D, GLU339D, GLU352C, GLU377D, GLU385D, GLU390C, GLU394C, GLU401C, GLU421D, GLU434C, GLU439D, GLU453C, GLU456C, GLY413C, GLY443C, HIS381D, HIS388D, HIS435C, ILE260D, ILE266D, ILE285D, ILE360D, ILE373C, ILE428C, ILE440D, ILE442C, ILE447C, LEU277D, LEU279D, LEU287D, LEU288D, LEU347D, LEU357D, LEU370C, LEU374D, LEU387D, LEU400C, LEU400D, LEU406D, LEU409D, LEU412D, LEU415D, LEU418C, LEU419C, LEU420C, LEU422C, LEU425C, LEU430C, LEU433C, LEU436D, LEU437D, LEU441C, LEU451C, LEU455C, LYS271D, LYS289D, LYS356C, LYS381C, LYS395C, LYS405C, LYS408D, LYS417C, LYS431C, MET401D, MET405D, MET407D, MET452C, MET454C, PHE276D, PHE340D, PHE363D, PHE402D, PHE415C, PHE424D, PHE437C, PHE438C, PHE450C, PRO336D, PRO368D, PRO378C, PRO386C, PRO399D, PRO403D, PRO412C, PRO423C, PRO434D, PRO435D, PRO446C, PRO458C, SER226D, SER262D, SER280D, SER361D, SER364D, SER380C, SER392D, SER399C, SER411D, SER416D, SER417D, SER420D, SER427C, SER438D, THR290D, THR351C, THR414D, THR445C, THR449C, TYR383D, TYR397C, VAL202D, VAL261D, VAL263D, VAL267D, VAL370D, VAL374C, VAL384D, VAL396C, VAL410D, VAL418D, VAL443D
• C-F: ALA387C, ALA391C, ASN385C, ASN394F, ASP295C, ASP296C, ASP398F, GLU291C, GLU388C, HIS288C, HIS395F, HIS397F, ILE393F, LEU292C, LEU294C, LEU392C, LYS395C, PHE289C, PRO293C, PRO386C, PRO396F, SER290C, SER384C, VAL389C
• C-G: ALA271C, ALA271G, ALA272C, ALA272G, ALA340C, ALA340G, ARG302C, ARG302G, ASN267C, ASN267G, ASN306C, ASN306G, ASP263C, ASP263G, ASP273C, ASP273G, ASP444C, CYS269C, CYS269G, CYS432C, CYS432G, GLN270C, GLN270G, GLN275C, GLU434C, GLU434G, GLY341C, GLY341G, GLY429C, GLY443C, HIS338C, HIS435C, HIS435G, ILE268C, ILE268G, ILE345C, ILE345G, ILE442C, LEU276C, LEU276G, LEU309C, LEU309G, LEU430C, LEU433C, LEU433G, LEU436C, LEU436G, LEU441C, LEU441G, LYS274C, LYS274G, LYS431C, LYS431G, LYS440C, LYS440G, PHE277G, PHE437C, PHE437G, PHE438C, PHE438G, PHE439C, PHE439G, PRO264C, PRO264G, SER339C, SER339G, THR266C, THR266G, TRP305C, TRP305G, VAL265C, VAL265G, VAL342C, VAL342G
• C-H: ALA247H, ALA271C, ALA272C, ALA283C, ALA303C, ALA325H, ALA425H, ARG245H, ARG248H, ARG302C, ARG427H, ASN267C, ASN306C, ASP241H, ASP273C, ASP295C, ASP296C, ASP430H, ASP442H, CYS269C, GLN243H, GLN249H, GLN270C, GLN275C, GLN297C, GLN330H, GLN422H, GLN429H, GLU246H, GLU281C, GLU291C, GLU332H, GLU421H, GLU445H, GLY304C, GLY328H, GLY382C, HIS444H, ILE268C, ILE299C, LEU276C, LEU279C, LEU292C, LEU294C, LEU300C, LEU301C, LEU308C, LEU309C, LEU329H, LEU426H, LEU428H, LEU433C, LYS274C, LYS284C, LYS326H, LYS381C, LYS431H, LYS432H, PHE277C, PHE289C, PHE333H, PHE424H, PRO242H, PRO293C, SER244H, SER290C, SER420H, THR266C, THR278C, TRP305C, VAL265C, VAL280C, VAL298C, VAL331H, VAL418H, VAL423H, VAL443H
• D-G: ALA271G, ALA272G, ALA283G, ALA303G, ALA325D, ALA425D, ARG245D, ARG248D, ARG302G, ARG427D, ASN306G, ASP241D, ASP273G, ASP295G, ASP296G, ASP430D, ASP442D, CYS269G, GLN243D, GLN249D, GLN270G, GLN275G, GLN297G, GLN330D, GLN422D, GLN429D, GLU246D, GLU281G, GLU291G, GLU322D, GLU332D, GLU421D, GLY304G, GLY328D, GLY382G, ILE299G, LEU276G, LEU279G, LEU292G, LEU294G, LEU300G, LEU301G, LEU308G, LEU309G, LEU329D, LEU375G, LEU426D, LEU428D, LEU433D, LYS274G, LYS284G, LYS326D, LYS381G, LYS431D, LYS432D, PHE277G, PHE289G, PHE333D, PHE424D, PRO242D, PRO293G, SER244D, SER290G, SER384G, THR278G, TRP305G, VAL280G, VAL298G, VAL331D, VAL418D, VAL423D, VAL443D
• E-F: ALA226E, ALA259F, ALA270F, ALA286F, ALA292F, ALA343F, ALA365F, ALA387E, ALA391E, ALA398E, ALA416E, ALA424E, ALA425F, ALA457E, ARG225F, ARG281F, ARG342F, ARG348E, ARG367F, ARG393E, ARG404F, ARG413F, ARG414E, ARG421E, ARG426E, ARG427F, ASN335F, ASN369F, ASN377E, ASP268F, ASP283F, ASP347E, ASP359E, ASP366F, ASP379E, ASP398F, ASP442F, ASP444E, ASP448E, GLN264F, GLN284F, GLN373F, GLN380F, GLU265F, GLU282F, GLU294F, GLU307E, GLU332F, GLU339F, GLU352E, GLU377F, GLU385F, GLU390E, GLU394E, GLU401E, GLU421F, GLU434E, GLU439F, GLU453E, GLU456E, GLY413E, GLY443E, HIS381F, HIS388F, HIS435E, ILE260F, ILE266F, ILE285F, ILE360F, ILE373E, ILE428E, ILE440F, ILE442E, ILE447E, LEU277F, LEU287F, LEU288F, LEU347F, LEU370E, LEU374F, LEU387F, LEU400E, LEU400F, LEU406F, LEU409F, LEU412F, LEU415F, LEU418E, LEU419E, LEU420E, LEU422E, LEU425E, LEU428F, LEU430E, LEU433E, LEU436F, LEU437F, LEU441E, LEU451E, LEU455E, LYS271F, LYS289F, LYS356E, LYS381E, LYS395E, LYS405E, LYS408F, LYS417E, LYS431E, MET401F, MET405F, MET407F, MET452E, MET454E, PHE276F, PHE333F, PHE340F, PHE363F, PHE402F, PHE415E, PHE424F, PHE437E, PHE438E, PHE450E, PRO336F, PRO368F, PRO378E, PRO386E, PRO399F, PRO403F, PRO412E, PRO423E, PRO434F, PRO435F, PRO446E, SER262F, SER280F, SER291F, SER361F, SER364F, SER380E, SER392F, SER399E, SER411F, SER416F, SER417F, SER420F, SER427E, SER438F, THR290F, THR351E, THR414F, THR445E, THR449E, TYR397E, VAL202F, VAL261F, VAL263F, VAL267F, VAL370F, VAL374E, VAL384F, VAL396E, VAL410F, VAL418F, VAL423F, VAL443F
• E-H: ALA239H, ALA387E, ALA391E, ARG251H, ARG393E, ASN320H, ASN385E, ASP229E, ASP241H, GLU291E, GLU322H, GLU388E, GLU390E, GLU394E, ILE238H, LEU392E, LYS326H, LYS395E, PRO237H, PRO240H, PRO242H, PRO378E, PRO386E, SER308H, SER384E, TRP236H, VAL389E
• F-H: ALA239H, ARG342F, ARG404F, ASP241H, ASP398F, GLN243H, GLU346F, HIS397F, ILE238H, LEU347F, LEU400F, MET401F, PRO240H, PRO242H, PRO399F, SER244H
• G-H: ALA270H, ALA286H, ALA292H, ALA343H, ALA365H, ALA391G, ALA398G, ALA416G, ALA424G, ALA425H, ALA457G, ARG225H, ARG281H, ARG348G, ARG367H, ARG378H, ARG393G, ARG404H, ARG413H, ARG414G, ARG421G, ARG426G, ARG427H, ASN369H, ASN377G, ASP268H, ASP283H, ASP359G, ASP366H, ASP379G, ASP442H, ASP444G, ASP448G, GLN264H, GLN284H, GLN373H, GLN380H, GLN411G, GLU265H, GLU282H, GLU294H, GLU307G, GLU339H, GLU352G, GLU377H, GLU385H, GLU390G, GLU394G, GLU401G, GLU421H, GLU434G, GLU439H, GLU445H, GLU453G, GLU456G, GLY413G, GLY443G, HIS381H, HIS388H, HIS435G, HIS444H, ILE260H, ILE266H, ILE285H, ILE360H, ILE373G, ILE428G, ILE440H, ILE442G, ILE447G, LEU277H, LEU287H, LEU288H, LEU347H, LEU353G, LEU357H, LEU370G, LEU374H, LEU387H, LEU400G, LEU400H, LEU406H, LEU409H, LEU412H, LEU415H, LEU418G, LEU419G, LEU420G, LEU422G, LEU425G, LEU428H, LEU430G, LEU433G, LEU436G, LEU436H, LEU437H, LEU441G, LEU451G, LEU455G, LYS271H, LYS289H, LYS356G, LYS381G, LYS395G, LYS405G, LYS408H, LYS417G, LYS431G, LYS440G, MET360G, MET401H, MET405H, MET407H, MET452G, MET454G, PHE276H, PHE340H, PHE363H, PHE402H, PHE415G, PHE424H, PHE437G, PHE438G, PHE439G, PHE450G, PRO336H, PRO368H, PRO378G, PRO399H, PRO403H, PRO412G, PRO423G, PRO434H, PRO435H, PRO446G, SER280H, SER361H, SER364H, SER399G, SER411H, SER416H, SER417H, SER420H, SER427G, SER438H, THR290H, THR351G, THR414H, THR445G, THR449G, TRP441H, TYR397G, VAL202H, VAL263H, VAL267H, VAL370H, VAL374G, VAL376H, VAL384H, VAL396G, VAL410H, VAL418H, VAL423H, VAL443H