2BS3

glu c180 -> gln variant quinol:fumarate reductase from wolinella succinogenes

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 143
  • Norm. En. per Res.: -4.3526
• 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	-158.7552	-163.8164	-749.727	-1072.2986	270	35	14	30237	11	121	98
A-D	-149.6701	80.0727	-194.637	-264.2344	66	17	4	7291	4	21	27
B-C	-105.7024	-61.8613	-454.854	-622.4177	143	17	6	17677	11	60	51
B-E	0.0	0.0	-0.3127	-0.3127	4	0	0	14	0	10	9
B-F	-14.4694	-5.6005	-140.58	-160.65	64	4	2	5772	0	13	9
C-E	-16.0226	1.2383	-150.995	-165.7794	64	5	2	5934	0	14	9
C-F	-14.2945	-30.5935	-522.966	-567.8541	185	18	11	20683	2	20	28
D-E	-158.6325	-164.5898	-749.788	-1073.0103	272	33	14	30242	11	121	97
D-F	0.0	0.0	393.273	393.273	34	32	0	616	0	0	0
E-F	-105.8524	-61.9732	-453.793	-621.6186	143	18	6	17663	11	60	50

Interface residues

• A-B: ALA101A, ALA102A, ALA124B, ALA142B, ALA153A, ALA155A, ALA163A, ALA165A, ALA17B, ALA229A, ALA31B, ALA353A, ALA45A, ALA46A, ALA47A, ALA513A, ALA59B, ALA648A, ALA76B, ALA96A, ARG109A, ARG117B, ARG132A, ARG136B, ARG150B, ARG178A, ARG178B, ARG181B, ARG19A, ARG221A, ARG343A, ARG41A, ARG44B, ARG510A, ARG522A, ARG58B, ARG649A, ARG652A, ARG78B, ARG98A, ASN109B, ASN112B, ASN166A, ASN221B, ASN225A, ASN228A, ASN41B, ASN468A, ASN508A, ASN514A, ASN52B, ASN57A, ASN650A, ASN91A, ASP102B, ASP106B, ASP129B, ASP130A, ASP13B, ASP149B, ASP154A, ASP177A, ASP185B, ASP188B, ASP198A, ASP203A, ASP344A, ASP462A, ASP48B, ASP50B, ASP54B, ASP655A, ASP83B, CYS150A, CYS151B, CYS154B, CYS156B, CYS168A, CYS218B, CYS232A, CYS349A, CYS57B, CYS62B, CYS65B, CYS77B, GLN116B, GLN143B, GLN15B, GLN176A, GLN26A, GLN368A, GLN48A, GLU119B, GLU127B, GLU129A, GLU134B, GLU135B, GLU138B, GLU140B, GLU144B, GLU147B, GLU153B, GLU167A, GLU347A, GLU350A, GLU45B, GLU516A, GLU518A, GLU519A, GLU651A, GLU99A, GLY104A, GLY108B, GLY113B, GLY134A, GLY155B, GLY157A, GLY172A, GLY202A, GLY265A, GLY354A, GLY56A, GLY60B, GLY63B, GLY654A, GLY66B, HIS111A, HIS123B, HIS128B, HIS133A, HIS137A, HIS158A, HIS187B, HIS43A, HIS512A, ILE100B, ILE110A, ILE122B, ILE130B, ILE136A, ILE137B, ILE152B, ILE175A, ILE266A, ILE348A, ILE355A, ILE37A, ILE38B, ILE506A, ILE61B, ILE97A, LEU100A, LEU103B, LEU133B, LEU135A, LEU148B, LEU161A, LEU169A, LEU171A, LEU18A, LEU199A, LEU222B, LEU261A, LEU267A, LEU36A, LEU511A, LEU517A, LEU51B, LEU55A, LEU653A, LEU75B, LEU80B, LEU94B, LEU99B, LYS101B, LYS112A, LYS11B, LYS126B, LYS132B, LYS170A, LYS179A, LYS220B, LYS224A, LYS40A, LYS465A, LYS467A, LYS471A, LYS507A, LYS509A, LYS645A, LYS647A, LYS82B, LYS95A, LYS98B, MET114B, MET160A, MET34B, MET367A, MET418A, PHE111B, PHE131A, PHE146B, PHE162A, PHE182B, PHE352A, PHE37B, PHE464A, PHE53B, PHE55B, PHE97B, PRO106A, PRO139B, PRO14B, PRO186B, PRO219B, PRO260A, PRO263A, PRO321A, PRO32B, PRO363A, PRO38A, PRO49B, PRO515A, PRO94A, SER104B, SER115B, SER120B, SER131B, SER16B, SER174A, SER19B, SER264A, SER33B, SER42A, SER44A, SER64B, THR107B, THR108A, THR152A, THR156A, THR159A, THR201A, THR226A, THR227A, THR35B, THR46B, THR79B, THR92A, TRP103A, TRP107A, TRP110B, TRP121B, TYR151A, TYR322A, TYR351A, TYR47B, TYR646A, VAL105A, VAL105B, VAL118B, VAL141B, VAL145B, VAL173A, VAL18B, VAL200A, VAL230A, VAL231A, VAL39A, VAL463A, VAL56B
• A-D: ALA206A, ALA206D, ALA209A, ALA209D, ALA429A, ALA429D, ASN430A, ASN430D, ASP434A, ASP434D, ASP7A, ASP7D, CYS428A, CYS428D, CYS6A, CYS6D, GLN187A, GLN187D, GLN432A, GLN432D, GLN4A, GLN4D, GLU436A, GLU436D, GLU441A, GLU441D, GLY28A, GLY28D, LEU29A, LEU29D, LEU435A, LEU435D, LEU440A, LEU440D, LYS210A, LYS210D, LYS2A, LYS2D, LYS438A, LYS438D, LYS442A, LYS442D, LYS445A, LYS445D, MET1A, MET1D, SER30A, SER30D, SER8A, SER8D, THR431A, THR431D, THR437A, THR437D, THR439A, THR439D, TYR192A, TYR192D, TYR5A, TYR5D, VAL208A, VAL208D, VAL3A, VAL3D, VAL433A, VAL433D
• B-C: ALA130C, ALA159B, ALA160B, ALA191C, ALA213B, ALA229B, ALA24C, ALA96B, ALA97C, ARG106C, ARG117B, ARG119C, ARG167B, ARG17C, ARG189C, ARG206C, ARG21C, ARG232B, ARG233B, ARG72B, ARG99C, ASN104C, ASN221B, ASN239B, ASN70B, ASP116C, ASP122C, ASP192B, ASP194B, ASP198C, ASP201B, ASP202B, ASP203B, ASP203C, ASP216B, ASP27C, CYS156B, CYS157B, CYS161B, CYS208B, CYS214B, GLN107C, GLN129C, GLN225B, GLN30C, GLU168B, GLU16C, GLU193B, GLU197B, GLU200C, GLY121C, GLY162B, GLY195C, GLY199C, GLY200B, GLY204B, GLY207B, GLY71B, HIS114C, HIS120C, HIS215B, ILE103C, ILE158B, ILE165B, ILE199B, ILE228B, ILE69B, LEU109C, LEU117C, LEU125C, LEU190C, LEU198B, LEU209C, LEU211B, LEU212B, LEU222B, LEU224B, LEU231B, LEU26C, LEU92B, LEU94B, LYS100C, LYS112C, LYS115C, LYS164B, LYS18C, LYS193C, LYS19C, LYS210C, LYS227B, LYS234B, LYS25C, MET118C, MET166B, MET209B, MET22C, MET235B, MET68B, MET98C, PHE101C, PHE111C, PHE197C, PHE206B, PHE23B, PHE84B, PRO102C, PRO202C, PRO223B, PRO23C, PRO73B, PRO93B, PRO95B, SER20C, SER226B, SER237B, SER31C, THR110C, THR113C, THR123C, THR124C, THR14C, THR163B, THR201C, THR205C, THR210B, THR90B, TRP126C, TRP127C, TRP194C, TRP196C, TRP28C, TRP29C, TYR108C, TYR188C, TYR195B, TYR196B, TYR230B, VAL13C, VAL192C, VAL205B, VAL217B, VAL236B, VAL238B
• B-E: ASP169B, ASP169E, GLU168B, GLU168E
• B-F: ALA159B, ALA160B, ALA17B, ALA96B, ARG106F, ARG167B, ARG17F, ARG8B, ASN104F, ASN3F, ASN70B, ASP102B, ASP13B, ASP201B, ASP202B, ASP203B, GLN107F, GLN15B, GLN24B, GLU16F, GLU4F, GLU8F, GLY12F, GLY71B, HIS22B, ILE103F, ILE165B, ILE6F, LEU103B, LEU7F, LEU91B, LEU92B, LEU94B, LEU99B, LYS11B, LYS18F, LYS20B, MET1F, MET67B, MET68B, PHE10B, PHE23B, PHE97B, PRO14B, PRO15F, PRO21B, PRO73B, PRO93B, PRO95B, SER11F, SER16B, SER19B, SER5F, SER9F, THR14F, THR2F, THR90B, TYR105F, TYR10F, TYR12B, VAL105B, VAL13F, VAL18B, VAL9B
• C-E: ALA159E, ALA160E, ALA17E, ALA96E, ARG106C, ARG167E, ARG17C, ARG8E, ASN104C, ASN3C, ASN70E, ASP102E, ASP13E, ASP201E, ASP202E, ASP203E, GLN107C, GLN15E, GLN24E, GLU16C, GLU25E, GLU4C, GLU8C, GLY12C, GLY71E, HIS22E, ILE103C, ILE165E, ILE6C, LEU103E, LEU7C, LEU92E, LEU94E, LEU99E, LYS11E, LYS18C, LYS20E, MET1C, MET67E, MET68E, PHE10E, PHE23E, PHE97E, PRO14E, PRO15C, PRO21E, PRO73E, PRO93E, PRO95E, SER11C, SER16E, SER19E, SER5C, SER9C, THR14C, THR2C, THR90E, TYR105C, TYR10C, TYR12E, VAL105E, VAL13C, VAL18E, VAL9E
• C-F: ALA135C, ALA135F, ALA24C, ALA92C, ALA92F, ALA94C, ALA94F, ALA97C, ALA97F, ARG106C, ARG106F, ARG119C, ARG119F, ARG162C, ARG162F, ARG21C, ARG21F, ARG99C, ARG99F, ASN104C, ASN104F, ASN242C, ASN242F, ASN3C, ASN3F, ASP116C, ASP116F, ASP244C, ASP244F, GLN107C, GLN107F, GLN150C, GLN150F, GLN152C, GLN152F, GLU166C, GLU166F, GLU4C, GLU4F, GLU8C, GLU8F, GLY12C, GLY12F, GLY140C, GLY140F, HIS114C, HIS114F, HIS143C, HIS143F, HIS93C, HIS93F, ILE103C, ILE103F, ILE146C, ILE146F, ILE6C, ILE6F, ILE91C, ILE91F, LEU109C, LEU109F, LEU117C, LEU117F, LEU139C, LEU139F, LEU144C, LEU144F, LEU171C, LEU171F, LEU173C, LEU173F, LEU26C, LEU26F, LEU7C, LEU7F, LEU96C, LEU96F, LYS100C, LYS100F, LYS112C, LYS112F, LYS115C, LYS115F, LYS19C, LYS19F, LYS246C, LYS246F, LYS251C, LYS251F, MET118C, MET118F, MET131C, MET131F, MET136C, MET136F, MET148C, MET148F, MET163C, MET163F, MET168C, MET168F, MET1C, MET1F, MET22C, MET22F, MET98C, MET98F, PHE101C, PHE101F, PHE111C, PHE111F, PHE134C, PHE134F, PHE137C, PHE137F, PHE138C, PHE138F, PHE161C, PHE161F, PHE87C, PHE87F, PHE90C, PHE90F, PHE95C, PHE95F, PRO102C, PRO102F, PRO151C, PRO151F, PRO170C, PRO170F, PRO23C, PRO23F, PRO241C, PRO241F, SER11C, SER11F, SER141C, SER141F, SER165C, SER165F, SER20C, SER20F, SER5C, SER5F, SER9C, SER9F, THR110C, THR110F, THR113C, THR113F, THR149C, THR149F, THR14C, THR14F, THR153C, THR153F, THR2C, THR2F, TRP127C, TRP127F, TRP167C, TRP167F, TRP169C, TRP169F, TYR105C, TYR105F, TYR108C, TYR108F, TYR10C, TYR10F, TYR145C, TYR145F, TYR172C, TYR172F, TYR247C, TYR247F, VAL13C, VAL13F, VAL142C, VAL142F, VAL164C, VAL164F, VAL174C, VAL174F
• D-E: ALA101D, ALA102D, ALA124E, ALA142E, ALA153D, ALA155D, ALA163D, ALA165D, ALA17E, ALA229D, ALA31E, ALA353D, ALA45D, ALA46D, ALA47D, ALA513D, ALA59E, ALA648D, ALA76E, ALA96D, ARG109D, ARG117E, ARG132D, ARG136E, ARG150E, ARG178D, ARG178E, ARG181E, ARG197D, ARG19D, ARG221D, ARG343D, ARG41D, ARG44E, ARG510D, ARG522D, ARG58E, ARG649D, ARG652D, ARG78E, ARG98D, ASN109E, ASN112E, ASN166D, ASN221E, ASN225D, ASN228D, ASN41E, ASN468D, ASN508D, ASN514D, ASN52E, ASN57D, ASN650D, ASN91D, ASP102E, ASP106E, ASP129E, ASP130D, ASP13E, ASP149E, ASP154D, ASP177D, ASP185E, ASP188E, ASP198D, ASP203D, ASP344D, ASP462D, ASP48E, ASP50E, ASP54E, ASP655D, ASP83E, CYS150D, CYS151E, CYS154E, CYS156E, CYS168D, CYS218E, CYS232D, CYS349D, CYS57E, CYS62E, CYS65E, CYS77E, GLN116E, GLN143E, GLN15E, GLN176D, GLN26D, GLN368D, GLN48D, GLU119E, GLU127E, GLU129D, GLU134E, GLU135E, GLU138E, GLU140E, GLU144E, GLU147E, GLU153E, GLU167D, GLU347D, GLU350D, GLU45E, GLU516D, GLU518D, GLU519D, GLU651D, GLU99D, GLY104D, GLY108E, GLY113E, GLY134D, GLY155E, GLY157D, GLY172D, GLY202D, GLY265D, GLY354D, GLY56D, GLY60E, GLY63E, GLY654D, GLY66E, HIS111D, HIS123E, HIS128E, HIS133D, HIS137D, HIS158D, HIS187E, HIS43D, HIS512D, ILE100E, ILE110D, ILE122E, ILE130E, ILE136D, ILE137E, ILE152E, ILE175D, ILE266D, ILE348D, ILE355D, ILE37D, ILE38E, ILE43E, ILE506D, ILE61E, ILE97D, LEU100D, LEU103E, LEU133E, LEU135D, LEU148E, LEU161D, LEU169D, LEU171D, LEU18D, LEU199D, LEU222E, LEU261D, LEU267D, LEU36D, LEU511D, LEU517D, LEU51E, LEU55D, LEU653D, LEU75E, LEU80E, LEU94E, LEU99E, LYS101E, LYS112D, LYS11E, LYS126E, LYS132E, LYS170D, LYS179D, LYS220E, LYS224D, LYS40D, LYS465D, LYS467D, LYS471D, LYS507D, LYS509D, LYS645D, LYS647D, LYS82E, LYS95D, LYS98E, MET114E, MET160D, MET34E, MET367D, MET418D, PHE111E, PHE131D, PHE146E, PHE162D, PHE182E, PHE352D, PHE37E, PHE464D, PHE53E, PHE55E, PHE97E, PRO106D, PRO139E, PRO14E, PRO186E, PRO219E, PRO260D, PRO263D, PRO321D, PRO32E, PRO363D, PRO38D, PRO49E, PRO515D, PRO94D, SER104E, SER115E, SER120E, SER131E, SER16E, SER174D, SER19E, SER264D, SER33E, SER42D, SER44D, SER64E, THR107E, THR108D, THR152D, THR156D, THR159D, THR201D, THR226D, THR227D, THR35E, THR46E, THR79E, THR92D, TRP103D, TRP107D, TRP110E, TRP121E, TYR151D, TYR322D, TYR351D, TYR47E, TYR646D, VAL105D, VAL105E, VAL118E, VAL141E, VAL145E, VAL173D, VAL18E, VAL200D, VAL230D, VAL231D, VAL39D, VAL463D, VAL56E
• D-F: ALA181D, ALA194D, ALA215D, ALA238D, ALA240D, ALA246D, ALA383D, ALA394D, ARG376D, CYS191D, GLN247D, GLU242D, GLY12D, GLY236D, ILE11D, ILE214D, ILE239D, ILE375D, LEU184D, LEU213D, LEU241D, LEU248D, LEU385D, LEU388D, LYS384D, PHE389D, PHE4F, SER390D, THR212D, THR216D, THR235D, THR237D, THR243D, THR377D
• E-F: ALA130F, ALA159E, ALA160E, ALA191F, ALA213E, ALA229E, ALA24F, ALA96E, ALA97F, ARG106F, ARG117E, ARG119F, ARG167E, ARG17F, ARG189F, ARG206F, ARG21F, ARG232E, ARG233E, ARG72E, ARG99F, ASN104F, ASN221E, ASN239E, ASN70E, ASP116F, ASP122F, ASP192E, ASP194E, ASP198F, ASP201E, ASP202E, ASP203E, ASP203F, ASP216E, ASP27F, CYS156E, CYS157E, CYS161E, CYS208E, CYS214E, GLN107F, GLN129F, GLN225E, GLN30F, GLU168E, GLU16F, GLU193E, GLU197E, GLU200F, GLY121F, GLY162E, GLY195F, GLY199F, GLY200E, GLY204E, GLY207E, GLY71E, HIS114F, HIS120F, HIS215E, ILE103F, ILE158E, ILE165E, ILE199E, ILE228E, ILE69E, LEU109F, LEU117F, LEU125F, LEU190F, LEU198E, LEU209F, LEU211E, LEU212E, LEU222E, LEU224E, LEU231E, LEU26F, LEU92E, LEU94E, LYS100F, LYS112F, LYS115F, LYS164E, LYS18F, LYS193F, LYS19F, LYS210F, LYS227E, LYS234E, LYS25F, MET118F, MET166E, MET209E, MET22F, MET235E, MET68E, MET98F, PHE101F, PHE111F, PHE197F, PHE206E, PHE23E, PHE84E, PRO102F, PRO202F, PRO223E, PRO23F, PRO73E, PRO93E, PRO95E, SER20F, SER226E, SER237E, SER31F, THR110F, THR113F, THR123F, THR124F, THR14F, THR163E, THR201F, THR205F, THR210E, THR90E, TRP126F, TRP127F, TRP194F, TRP196F, TRP28F, TRP29F, TYR108F, TYR188F, TYR195E, TYR196E, TYR230E, VAL13F, VAL192F, VAL205E, VAL217E, VAL236E, VAL238E