3SZ9

crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 265
  • Norm. En. per Res.: -4.286
• Hub Node: A(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	-241.5807	-87.6832	-774.605	-1103.8689	266	50	15	31244	7	46	47
A-C	-42.5813	25.6035	-243.639	-260.6168	121	5	0	9792	2	42	40
A-D	-147.767	26.8666	-416.642	-537.5424	131	22	4	14976	2	46	53
A-H	-13.1165	11.4218	-22.3438	-24.0384	49	2	2	1952	1	17	27
B-C	-169.6081	23.4781	-417.37	-563.5	132	20	4	14902	2	45	53
B-D	-40.0964	26.1323	-239.857	-253.8211	120	5	0	9696	2	43	40
C-D	-224.9865	-90.089	-750.025	-1065.1005	266	33	15	30562	9	47	49
E-F	-241.9565	-99.6916	-794.154	-1135.8021	265	48	15	31710	8	46	47
E-G	-39.2303	24.7022	-244.979	-259.5071	119	6	0	9764	2	42	40
E-H	-161.1544	38.0543	-432.44	-555.54	133	25	4	15201	2	46	53
F-G	-155.3717	30.6319	-429.057	-553.7968	131	21	4	15025	2	45	53
F-H	-36.8196	30.2623	-241.658	-248.2153	120	7	0	9713	2	42	40
G-H	-240.3726	-86.6362	-794.478	-1121.4868	267	43	15	31652	8	46	50

Interface residues

• A-B: ALA256A, ALA256B, ALA257A, ALA257B, ALA428A, ALA428B, ALA429A, ALA429B, ALA430A, ALA430B, ALA439A, ALA439B, ALA445A, ALA445B, ALA448A, ALA448B, ALA461A, ALA461B, ARG155A, ARG155B, ARG251A, ARG251B, ARG264A, ARG264B, ARG475A, ARG475B, ARG67A, ARG67B, ARG77A, ARG77B, ARG78A, ARG78B, ASN261A, ASN261B, ASN421A, ASN421B, ASN440A, ASN440B, ASN454A, ASN454B, ASP123A, ASP123B, ASP147A, ASP147B, ASP149A, ASP149B, ASP237A, ASP237B, ASP239A, ASP239B, ASP282A, ASP282B, ASP457A, ASP457B, CYS455A, CYS455B, GLN254A, GLN254B, GLN289A, GLN289B, GLN444A, GLN444B, GLN447A, GLN447B, GLN462A, GLN462B, GLN483A, GLN483B, GLN71A, GLN71B, GLU157A, GLU157B, GLU236A, GLU236B, GLU248A, GLU248B, GLU414A, GLU476B, GLU479A, GLU479B, GLU487A, GLU487B, GLY141A, GLY141B, GLY148A, GLY148B, GLY250A, GLY250B, GLY258A, GLY258B, GLY270A, GLY270B, GLY426A, GLY426B, GLY449A, GLY449B, GLY460A, GLY460B, GLY466A, GLY466B, GLY467A, GLY467B, GLY472A, GLY472B, GLY474A, GLY474B, GLY478A, GLY478B, GLY481A, GLY481B, GLY73A, GLY73B, HIS140A, HIS140B, HIS156A, HIS156B, HIS235A, ILE144A, ILE144B, ILE146A, ILE146B, ILE249A, ILE249B, ILE253A, ILE253B, LEU262A, LEU262B, LEU267A, LEU267B, LEU269A, LEU269B, LEU427A, LEU427B, LEU436A, LEU436B, LEU442A, LEU442B, LEU446A, LEU446B, LEU477A, LEU477B, LEU482A, LEU72A, LEU72B, LYS127A, LYS127B, LYS142A, LYS142B, LYS263A, LYS263B, LYS469A, LYS469B, LYS489A, LYS489B, LYS494A, LYS494B, LYS498A, LYS498B, MET124A, MET124B, MET470A, MET470B, PHE150A, PHE150B, PHE151A, PHE151B, PHE243A, PHE243B, PHE432A, PHE432B, PHE459A, PHE459B, PHE465A, PHE465B, PHE70A, PHE70B, PRO145A, PRO145B, PRO158A, PRO158B, PRO464A, PRO464B, SER152A, SER152B, SER246A, SER246B, SER259A, SER259B, SER260A, SER260B, SER443A, SER443B, SER463A, SER463B, SER471A, SER471B, SER473A, SER473B, THR143A, THR143B, THR154A, THR154B, THR247A, THR247B, THR266A, THR266B, THR424A, THR424B, THR450A, THR450B, THR486A, THR486B, THR490A, THR490B, THR492A, THR492B, TRP135A, TRP135B, TRP285A, TRP285B, TRP452A, TRP452B, TYR131A, TYR131B, TYR139A, TYR139B, TYR153A, TYR153B, TYR425A, TYR425B, TYR441A, TYR441B, TYR456A, TYR456B, TYR468A, TYR468B, TYR480A, TYR480B, VAL159A, VAL159B, VAL241A, VAL241B, VAL252A, VAL252B, VAL255A, VAL255B, VAL265A, VAL265B, VAL417A, VAL417B, VAL431A, VAL431B, VAL451A, VAL451B, VAL453A, VAL453B, VAL458A, VAL458B, VAL488A, VAL488B, VAL491A, VAL491B, VAL493A, VAL493B, VAL495A, VAL495B
• A-C: ALA133A, ALA133C, ALA136A, ALA136C, ALA184A, ALA184C, ALA439A, ALA439C, ALA445A, ALA445C, ALA461A, ALA461C, ALA81A, ALA81C, ALA92A, ALA92C, ARG130A, ARG130C, ARG86A, ARG86C, ASN440A, ASN440C, ASN499A, ASN499C, ASN89A, ASN89C, ASP137A, ASP137C, ASP149A, ASP149C, ASP435A, ASP435C, ASP437A, ASP437C, ASP80A, ASP80C, ASP93A, ASP93C, CYS128A, CYS128C, GLN444A, GLN444C, GLN462A, GLN462C, GLN497A, GLN497C, GLU479A, GLU479C, GLU96A, GLU96C, GLY134A, GLY134C, GLY141A, GLY478A, GLY478C, GLY85A, GLY85C, HIS140A, HIS140C, HIS83A, HIS83C, ILE413A, ILE413C, LEU126A, LEU126C, LEU129A, LEU129C, LEU436A, LEU436C, LEU442A, LEU442C, LEU482A, LEU482C, LYS127A, LYS127C, LYS138A, LYS138C, LYS142A, LYS438A, LYS438C, LYS494A, LYS494C, LYS498A, LYS498C, PHE150A, PHE150C, PHE151A, PHE151C, PRO464A, PRO464C, PRO496A, PRO496C, SER443A, SER443C, SER463A, SER463C, SER500A, SER500C, SER82A, SER82C, THR143A, THR143C, TRP135A, TRP135C, TYR131A, TYR131C, TYR132A, TYR132C, TYR139A, TYR139C, TYR153A, TYR153C, TYR441A, TYR441C, TYR468A, TYR480A, TYR480C, VAL493A, VAL493C, VAL495A, VAL495C
• A-D: ALA136A, ALA136D, ALA439A, ALA439D, ALA81A, ALA81D, ARG155A, ARG155D, ARG77A, ARG77D, ARG78A, ARG78D, ARG84A, ARG84D, ASN187A, ASN187D, ASN440A, ASN440D, ASN454A, ASN454D, ASN499A, ASN499D, ASP137A, ASP137D, ASP147A, ASP147D, ASP149A, ASP149D, ASP280A, ASP280D, ASP282A, ASP282D, ASP435A, ASP435D, ASP437A, ASP437D, ASP80A, ASP80D, GLN497A, GLN497D, GLN71A, GLN71D, GLU157A, GLU157D, GLY141A, GLY141D, GLY148A, GLY148D, GLY186A, GLY186D, GLY73A, GLY73D, HIS140A, HIS140D, HIS156A, HIS156D, HIS83A, HIS83D, ILE144A, ILE144D, ILE146A, ILE146D, LEU436A, LEU436D, LEU72A, LEU72D, LYS138A, LYS138D, LYS142A, LYS142D, LYS434A, LYS434D, LYS438A, LYS438D, LYS489A, LYS489D, LYS498A, LYS498D, MET79A, MET79D, PHE150A, PHE150D, PHE151A, PHE151D, PHE432A, PHE432D, PHE70A, PHE70D, PRO145A, PRO145D, PRO158A, PRO158D, PRO496A, PRO496D, PRO75A, SER152A, SER152D, SER500A, SER500D, SER74A, SER74D, SER82A, SER82D, THR143A, THR143D, THR154A, THR154D, THR185A, THR185D, THR433A, THR433D, THR490D, TRP135A, TRP135D, TRP76A, TRP76D, TYR139A, TYR139D, TYR153A, TYR153D, VAL188D, VAL431A, VAL431D, VAL453A, VAL453D, VAL491A, VAL491D, VAL493A, VAL493D, VAL495A, VAL495D
• A-H: ALA324A, ALA324H, ALA326A, ALA326H, ALA374H, ALA375A, ALA375H, ARG321A, ARG321H, ARG325A, ARG325H, ARG329A, ARG329H, ARG377A, ASN333A, ASN333H, ASP316H, ASP336A, ASP336H, ASP376A, CYS369A, CYS369H, GLN341H, GLN382H, GLU317H, GLU320A, GLU320H, GLU340A, GLY332A, GLY332H, LEU368A, LYS327A, LYS327H, LYS338A, LYS338H, LYS366H, PHE380H, PRO383H, SER322H, SER328A, SER328H, THR339H, VAL287H, VAL323A, VAL323H, VAL330A, VAL330H, VAL331A, VAL331H
• B-C: ALA136B, ALA136C, ALA184C, ALA439B, ALA439C, ALA81B, ALA81C, ARG155B, ARG155C, ARG77B, ARG77C, ARG78B, ARG78C, ARG84B, ARG84C, ASN187B, ASN187C, ASN440B, ASN440C, ASN454B, ASN454C, ASN499B, ASN499C, ASP137B, ASP137C, ASP147B, ASP147C, ASP149B, ASP149C, ASP280B, ASP280C, ASP282B, ASP282C, ASP435B, ASP435C, ASP437B, ASP437C, ASP80B, ASP80C, GLN497B, GLN497C, GLN71B, GLN71C, GLU157B, GLU157C, GLY141B, GLY141C, GLY148B, GLY148C, GLY160B, GLY186B, GLY186C, GLY73B, GLY73C, HIS140B, HIS140C, HIS156B, HIS156C, HIS83B, HIS83C, ILE144B, ILE144C, ILE146B, ILE146C, LEU436B, LEU436C, LEU72B, LEU72C, LYS138B, LYS138C, LYS142B, LYS142C, LYS434B, LYS434C, LYS438B, LYS438C, LYS489B, LYS489C, LYS498B, LYS498C, MET79B, MET79C, PHE150B, PHE150C, PHE151B, PHE151C, PHE432B, PHE432C, PHE70B, PHE70C, PRO145B, PRO145C, PRO158B, PRO158C, PRO496B, PRO496C, SER152B, SER152C, SER500B, SER500C, SER74B, SER74C, SER82B, SER82C, THR143B, THR143C, THR154B, THR154C, THR185B, THR185C, THR433B, THR433C, THR490C, TRP135B, TRP135C, TRP76B, TRP76C, TYR139B, TYR139C, TYR153B, TYR153C, VAL431B, VAL431C, VAL453B, VAL453C, VAL488C, VAL491B, VAL491C, VAL493B, VAL493C, VAL495B, VAL495C
• B-D: ALA133B, ALA133D, ALA136B, ALA136D, ALA184B, ALA184D, ALA439B, ALA439D, ALA445B, ALA445D, ALA461B, ALA461D, ALA81B, ALA81D, ALA92B, ALA92D, ARG130B, ARG130D, ARG86B, ARG86D, ASN440B, ASN440D, ASN499B, ASN499D, ASN89B, ASN89D, ASP137B, ASP137D, ASP149B, ASP149D, ASP435B, ASP435D, ASP437B, ASP437D, ASP80B, ASP80D, ASP93B, ASP93D, CYS128B, CYS128D, GLN444B, GLN444D, GLN462B, GLN462D, GLN497B, GLN497D, GLU479B, GLU479D, GLU96B, GLU96D, GLY134B, GLY134D, GLY141D, GLY478B, GLY478D, GLY85B, GLY85D, HIS140B, HIS140D, HIS83B, HIS83D, ILE413B, ILE413D, LEU126B, LEU126D, LEU129B, LEU129D, LEU436B, LEU436D, LEU442B, LEU442D, LEU482B, LEU482D, LYS127B, LYS127D, LYS138B, LYS138D, LYS142D, LYS438B, LYS438D, LYS494B, LYS494D, LYS498B, LYS498D, PHE150B, PHE150D, PHE151B, PHE151D, PRO464B, PRO464D, PRO496B, PRO496D, SER443B, SER443D, SER463B, SER463D, SER500B, SER500D, SER82B, SER82D, THR143B, THR143D, TRP135B, TRP135D, TYR131B, TYR131D, TYR132B, TYR132D, TYR139B, TYR139D, TYR153B, TYR153D, TYR441B, TYR441D, TYR480B, TYR480D, VAL493B, VAL493D, VAL495B, VAL495D
• C-D: ALA256C, ALA256D, ALA257C, ALA257D, ALA428C, ALA428D, ALA429C, ALA429D, ALA430C, ALA430D, ALA439C, ALA439D, ALA445C, ALA445D, ALA448C, ALA448D, ALA461C, ALA461D, ALA484C, ARG155C, ARG155D, ARG251C, ARG251D, ARG264C, ARG264D, ARG475C, ARG475D, ARG67C, ARG67D, ARG77C, ARG77D, ARG78C, ARG78D, ASN261C, ASN261D, ASN421C, ASN421D, ASN440C, ASN440D, ASN454C, ASN454D, ASP123C, ASP123D, ASP147C, ASP147D, ASP149C, ASP149D, ASP237D, ASP239C, ASP239D, ASP282C, ASP282D, ASP457C, ASP457D, CYS455C, CYS455D, GLN254C, GLN254D, GLN289C, GLN289D, GLN444C, GLN444D, GLN447C, GLN447D, GLN462C, GLN462D, GLN483C, GLN483D, GLN71C, GLN71D, GLU157C, GLU157D, GLU236C, GLU236D, GLU248C, GLU248D, GLU476C, GLU476D, GLU479C, GLU479D, GLU487C, GLU487D, GLY141C, GLY141D, GLY148C, GLY148D, GLY250C, GLY250D, GLY258C, GLY258D, GLY270C, GLY270D, GLY426C, GLY426D, GLY449C, GLY449D, GLY460C, GLY460D, GLY466C, GLY466D, GLY467C, GLY467D, GLY472C, GLY472D, GLY474C, GLY474D, GLY478C, GLY478D, GLY481C, GLY481D, GLY73C, GLY73D, HIS140C, HIS140D, HIS156C, HIS156D, ILE144C, ILE144D, ILE146C, ILE146D, ILE249C, ILE249D, ILE253C, ILE253D, LEU262C, LEU262D, LEU267C, LEU267D, LEU269C, LEU269D, LEU427C, LEU427D, LEU436C, LEU436D, LEU442C, LEU442D, LEU446C, LEU446D, LEU477C, LEU477D, LEU482C, LEU72C, LEU72D, LYS127C, LYS127D, LYS142C, LYS142D, LYS263C, LYS263D, LYS469C, LYS469D, LYS489C, LYS489D, LYS494C, LYS494D, LYS498C, LYS498D, MET124C, MET124D, MET470C, MET470D, PHE150C, PHE150D, PHE151C, PHE151D, PHE243C, PHE243D, PHE432C, PHE432D, PHE459C, PHE459D, PHE465C, PHE465D, PHE70C, PHE70D, PRO145C, PRO145D, PRO158C, PRO158D, PRO464C, PRO464D, SER152C, SER152D, SER246C, SER246D, SER259C, SER259D, SER260C, SER260D, SER443C, SER443D, SER463C, SER463D, SER471C, SER471D, SER473C, SER473D, THR143C, THR143D, THR154C, THR154D, THR247C, THR247D, THR266C, THR266D, THR424C, THR424D, THR433D, THR450C, THR450D, THR486C, THR486D, THR490C, THR490D, THR492C, THR492D, TRP135C, TRP135D, TRP285C, TRP285D, TRP452C, TRP452D, TYR131C, TYR131D, TYR139C, TYR139D, TYR153C, TYR153D, TYR425C, TYR425D, TYR441C, TYR441D, TYR456C, TYR456D, TYR468C, TYR468D, TYR480C, TYR480D, VAL159C, VAL159D, VAL241C, VAL241D, VAL252C, VAL252D, VAL255C, VAL255D, VAL265C, VAL265D, VAL417C, VAL417D, VAL431C, VAL431D, VAL451C, VAL451D, VAL453C, VAL453D, VAL458C, VAL458D, VAL488C, VAL488D, VAL491C, VAL491D, VAL493C, VAL493D, VAL495C, VAL495D
• E-F: ALA233F, ALA256E, ALA256F, ALA257E, ALA257F, ALA428E, ALA428F, ALA429E, ALA429F, ALA430E, ALA430F, ALA439E, ALA439F, ALA445E, ALA445F, ALA448E, ALA448F, ALA461E, ALA461F, ARG155E, ARG155F, ARG251E, ARG251F, ARG264E, ARG264F, ARG475E, ARG475F, ARG67E, ARG67F, ARG77E, ARG77F, ARG78E, ARG78F, ASN261E, ASN261F, ASN421E, ASN421F, ASN440E, ASN440F, ASN454E, ASN454F, ASP123E, ASP123F, ASP147E, ASP147F, ASP149E, ASP149F, ASP237E, ASP237F, ASP239E, ASP239F, ASP282E, ASP282F, ASP457E, ASP457F, CYS455E, CYS455F, GLN254E, GLN254F, GLN289E, GLN289F, GLN444E, GLN444F, GLN447E, GLN447F, GLN462E, GLN462F, GLN483E, GLN483F, GLN71E, GLN71F, GLU157E, GLU157F, GLU236E, GLU236F, GLU248E, GLU248F, GLU268E, GLU414E, GLU476E, GLU476F, GLU479E, GLU479F, GLU487E, GLU487F, GLY141E, GLY141F, GLY148E, GLY148F, GLY250E, GLY250F, GLY258E, GLY258F, GLY270E, GLY270F, GLY426E, GLY426F, GLY449E, GLY449F, GLY460E, GLY460F, GLY466E, GLY466F, GLY467E, GLY467F, GLY472E, GLY472F, GLY474E, GLY474F, GLY478E, GLY478F, GLY73E, GLY73F, HIS140E, HIS140F, HIS156E, HIS156F, HIS235F, ILE144E, ILE144F, ILE146E, ILE146F, ILE249E, ILE249F, ILE253E, ILE253F, LEU262E, LEU262F, LEU267E, LEU267F, LEU269E, LEU269F, LEU427E, LEU427F, LEU436E, LEU436F, LEU442E, LEU442F, LEU446E, LEU446F, LEU477E, LEU477F, LEU72E, LEU72F, LYS127E, LYS127F, LYS142E, LYS142F, LYS263E, LYS263F, LYS469E, LYS469F, LYS489E, LYS489F, LYS494E, LYS494F, MET124E, MET470E, MET470F, PHE150E, PHE150F, PHE151E, PHE151F, PHE243F, PHE432E, PHE432F, PHE459E, PHE459F, PHE465E, PHE465F, PHE70E, PHE70F, PRO145E, PRO145F, PRO158E, PRO158F, PRO464E, PRO464F, SER152E, SER152F, SER234F, SER246E, SER246F, SER259E, SER259F, SER260E, SER260F, SER443E, SER443F, SER463E, SER463F, SER471E, SER471F, SER473E, SER473F, THR143E, THR143F, THR154E, THR154F, THR247E, THR247F, THR266E, THR266F, THR424E, THR424F, THR433E, THR433F, THR450E, THR450F, THR486E, THR486F, THR490E, THR490F, THR492E, THR492F, TRP135E, TRP135F, TRP285E, TRP285F, TRP452E, TRP452F, TYR131E, TYR131F, TYR139E, TYR139F, TYR153E, TYR153F, TYR425E, TYR425F, TYR441E, TYR441F, TYR456E, TYR456F, TYR468E, TYR468F, TYR480E, TYR480F, VAL159E, VAL159F, VAL241E, VAL241F, VAL252E, VAL252F, VAL255E, VAL255F, VAL265E, VAL265F, VAL417E, VAL417F, VAL431E, VAL431F, VAL451E, VAL451F, VAL453E, VAL453F, VAL458E, VAL458F, VAL488E, VAL488F, VAL491E, VAL491F, VAL493E, VAL493F, VAL495E, VAL495F
• E-G: ALA133E, ALA133G, ALA136E, ALA136G, ALA184E, ALA184G, ALA439E, ALA439G, ALA445E, ALA445G, ALA461E, ALA461G, ALA81E, ALA81G, ALA92E, ALA92G, ARG130E, ARG130G, ARG86E, ARG86G, ASN440E, ASN440G, ASN499E, ASN499G, ASN89E, ASN89G, ASP137E, ASP137G, ASP149E, ASP149G, ASP435E, ASP435G, ASP437E, ASP437G, ASP80E, ASP80G, ASP93E, ASP93G, CYS128E, CYS128G, GLN444E, GLN444G, GLN462E, GLN462G, GLN497E, GLN497G, GLU479E, GLU479G, GLU96E, GLU96G, GLY134E, GLY134G, GLY478E, GLY478G, GLY85E, GLY85G, HIS140E, HIS140G, HIS83E, HIS83G, ILE413E, ILE413G, LEU126E, LEU126G, LEU129E, LEU129G, LEU436E, LEU436G, LEU442E, LEU442G, LEU482E, LEU482G, LYS127E, LYS127G, LYS138E, LYS138G, LYS438E, LYS438G, LYS494E, LYS494G, LYS498E, LYS498G, PHE150E, PHE150G, PHE151E, PHE151G, PRO464E, PRO464G, PRO496E, PRO496G, SER443E, SER443G, SER463E, SER463G, SER500E, SER500G, SER82E, SER82G, THR143E, THR143G, TRP135E, TRP135G, TYR131E, TYR131G, TYR132E, TYR132G, TYR139E, TYR139G, TYR153E, TYR153G, TYR441E, TYR441G, TYR468G, TYR480E, TYR480G, VAL493E, VAL493G, VAL495E, VAL495G
• E-H: ALA136E, ALA136H, ALA184E, ALA184H, ALA439E, ALA439H, ALA81E, ALA81H, ARG155E, ARG155H, ARG77E, ARG77H, ARG78E, ARG78H, ARG84E, ARG84H, ASN187E, ASN187H, ASN440E, ASN440H, ASN454E, ASN454H, ASN499E, ASN499H, ASP137E, ASP137H, ASP147E, ASP147H, ASP149E, ASP149H, ASP280E, ASP280H, ASP282E, ASP282H, ASP435E, ASP435H, ASP437E, ASP437H, ASP80E, ASP80H, GLN497E, GLN497H, GLN71E, GLN71H, GLU157E, GLU157H, GLY141E, GLY141H, GLY148E, GLY148H, GLY160H, GLY186E, GLY186H, GLY73E, GLY73H, HIS140E, HIS140H, HIS156E, HIS156H, HIS83E, HIS83H, ILE144E, ILE144H, ILE146E, ILE146H, LEU436E, LEU436H, LEU72E, LEU72H, LYS138E, LYS138H, LYS142E, LYS142H, LYS434E, LYS434H, LYS438E, LYS438H, LYS489E, LYS489H, LYS498E, LYS498H, MET79E, MET79H, PHE150E, PHE150H, PHE151E, PHE151H, PHE432E, PHE432H, PHE70E, PHE70H, PRO145E, PRO145H, PRO158E, PRO158H, PRO496E, PRO496H, SER152E, SER152H, SER443E, SER500E, SER500H, SER74E, SER74H, SER82E, SER82H, THR143E, THR143H, THR154E, THR154H, THR185E, THR185H, THR433E, THR433H, TRP135E, TRP135H, TRP76E, TRP76H, TYR139E, TYR139H, TYR153E, TYR153H, VAL188H, VAL431E, VAL431H, VAL453E, VAL453H, VAL491E, VAL491H, VAL493E, VAL493H, VAL495E, VAL495H
• F-G: ALA136F, ALA136G, ALA184F, ALA439F, ALA439G, ALA81F, ALA81G, ARG155F, ARG155G, ARG77F, ARG77G, ARG78F, ARG78G, ARG84F, ARG84G, ASN187F, ASN187G, ASN440F, ASN440G, ASN454F, ASN454G, ASN499F, ASN499G, ASP137F, ASP137G, ASP147F, ASP147G, ASP149F, ASP149G, ASP280F, ASP280G, ASP282F, ASP282G, ASP435F, ASP435G, ASP437F, ASP437G, ASP80F, ASP80G, GLN497F, GLN497G, GLN71F, GLN71G, GLU157F, GLU157G, GLY141F, GLY141G, GLY148F, GLY148G, GLY186F, GLY186G, GLY73F, GLY73G, HIS140F, HIS140G, HIS156F, HIS156G, HIS83F, HIS83G, ILE144F, ILE144G, ILE146F, ILE146G, LEU436F, LEU436G, LEU72F, LEU72G, LYS138F, LYS138G, LYS142F, LYS142G, LYS434F, LYS434G, LYS438F, LYS438G, LYS489F, LYS489G, LYS498F, LYS498G, MET79F, MET79G, PHE150F, PHE150G, PHE151F, PHE151G, PHE432F, PHE432G, PHE70F, PHE70G, PRO145F, PRO145G, PRO158F, PRO158G, PRO496F, PRO496G, PRO75G, SER152F, SER152G, SER500F, SER500G, SER74F, SER74G, SER82F, SER82G, THR143F, THR143G, THR154F, THR154G, THR185F, THR185G, THR433F, THR433G, TRP135F, TRP135G, TRP76F, TRP76G, TYR139F, TYR139G, TYR153F, TYR153G, VAL188F, VAL431F, VAL431G, VAL453F, VAL453G, VAL491F, VAL491G, VAL493F, VAL493G, VAL495F, VAL495G
• F-H: ALA133F, ALA133H, ALA136F, ALA136H, ALA184F, ALA184H, ALA439F, ALA439H, ALA445F, ALA445H, ALA461F, ALA461H, ALA81F, ALA81H, ALA92F, ALA92H, ARG130F, ARG130H, ARG86F, ARG86H, ASN440F, ASN440H, ASN499F, ASN499H, ASN89F, ASN89H, ASP137F, ASP137H, ASP149F, ASP149H, ASP435F, ASP435H, ASP437F, ASP437H, ASP80F, ASP80H, ASP93F, ASP93H, CYS128F, CYS128H, GLN444F, GLN444H, GLN462F, GLN462H, GLN497F, GLN497H, GLU479F, GLU479H, GLU96F, GLU96H, GLY134F, GLY134H, GLY478F, GLY478H, GLY85F, GLY85H, HIS140F, HIS140H, HIS83F, HIS83H, ILE413F, ILE413H, LEU126F, LEU126H, LEU129F, LEU129H, LEU436F, LEU436H, LEU442F, LEU442H, LEU482F, LEU482H, LYS127F, LYS127H, LYS138F, LYS138H, LYS142F, LYS438F, LYS438H, LYS494F, LYS494H, LYS498F, LYS498H, PHE150F, PHE150H, PHE151F, PHE151H, PRO464F, PRO464H, PRO496F, PRO496H, SER443F, SER443H, SER463F, SER463H, SER500F, SER500H, SER82F, SER82H, THR143F, THR143H, TRP135F, TRP135H, TYR131F, TYR131H, TYR132F, TYR132H, TYR139F, TYR139H, TYR153F, TYR153H, TYR441F, TYR441H, TYR468F, TYR480F, TYR480H, VAL493F, VAL493H, VAL495F, VAL495H
• G-H: ALA256G, ALA256H, ALA257G, ALA257H, ALA428G, ALA428H, ALA429G, ALA429H, ALA430G, ALA430H, ALA439G, ALA439H, ALA445G, ALA445H, ALA448G, ALA448H, ALA461G, ALA461H, ALA484H, ARG155G, ARG155H, ARG251G, ARG251H, ARG264G, ARG264H, ARG475G, ARG475H, ARG67G, ARG67H, ARG77G, ARG77H, ARG78G, ARG78H, ASN261G, ASN261H, ASN421G, ASN421H, ASN440G, ASN440H, ASN454G, ASN454H, ASP123G, ASP123H, ASP147G, ASP147H, ASP149G, ASP149H, ASP237H, ASP239G, ASP239H, ASP282G, ASP282H, ASP457G, ASP457H, CYS455G, CYS455H, GLN254G, GLN254H, GLN289G, GLN289H, GLN444G, GLN444H, GLN447G, GLN447H, GLN462G, GLN462H, GLN483G, GLN483H, GLN71G, GLN71H, GLU157G, GLU157H, GLU236G, GLU236H, GLU248G, GLU248H, GLU268H, GLU414G, GLU414H, GLU476G, GLU476H, GLU479G, GLU479H, GLU487G, GLU487H, GLY141G, GLY141H, GLY148G, GLY148H, GLY250G, GLY250H, GLY258G, GLY258H, GLY270G, GLY270H, GLY426G, GLY426H, GLY449G, GLY449H, GLY460G, GLY460H, GLY466G, GLY466H, GLY467G, GLY467H, GLY472G, GLY472H, GLY474G, GLY474H, GLY478G, GLY478H, GLY73G, GLY73H, HIS140G, HIS140H, HIS156G, HIS156H, HIS235H, ILE144G, ILE144H, ILE146G, ILE146H, ILE249G, ILE249H, ILE253G, ILE253H, LEU262G, LEU262H, LEU267G, LEU267H, LEU269G, LEU269H, LEU427G, LEU427H, LEU436G, LEU436H, LEU442G, LEU442H, LEU446G, LEU446H, LEU477G, LEU477H, LEU72G, LEU72H, LYS127G, LYS127H, LYS142G, LYS142H, LYS263G, LYS263H, LYS469G, LYS469H, LYS489G, LYS489H, LYS494G, LYS494H, LYS498G, LYS498H, MET124G, MET124H, MET470G, MET470H, PHE150G, PHE150H, PHE151G, PHE151H, PHE243G, PHE432G, PHE432H, PHE459G, PHE459H, PHE465G, PHE465H, PHE70G, PHE70H, PRO145G, PRO145H, PRO158G, PRO158H, PRO464G, PRO464H, SER152G, SER152H, SER246G, SER246H, SER259G, SER259H, SER260G, SER260H, SER443G, SER443H, SER463G, SER463H, SER471G, SER471H, SER473G, SER473H, THR143G, THR143H, THR154G, THR154H, THR247G, THR247H, THR266G, THR266H, THR424G, THR424H, THR433G, THR433H, THR450G, THR450H, THR486G, THR486H, THR490G, THR490H, THR492G, THR492H, TRP135G, TRP135H, TRP285G, TRP285H, TRP452G, TRP452H, TYR131G, TYR131H, TYR139G, TYR139H, TYR153G, TYR153H, TYR425G, TYR425H, TYR441G, TYR441H, TYR456G, TYR456H, TYR468G, TYR468H, TYR480G, TYR480H, VAL159G, VAL159H, VAL241G, VAL241H, VAL252G, VAL252H, VAL255G, VAL255H, VAL265G, VAL265H, VAL417G, VAL417H, VAL431G, VAL431H, VAL451G, VAL451H, VAL453G, VAL453H, VAL458G, VAL458H, VAL488G, VAL488H, VAL491G, VAL491H, VAL493G, VAL493H, VAL495G, VAL495H