3Q2K

crystal structure of the wlba dehydrogenase from bordetella pertussis in complex with nadh and udp-glcnaca

• Total interactions analyzed: 120
• Total true interactions: 36
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 169
  • Norm. En. per Res.: -3.7524
• Hub Node: C(5)

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	-8.729	-50.8862	-561.723	-621.3382	170	23	21	22526	3	24	24
A-D	-14.8868	-121.4238	-93.2338	-229.5444	71	3	0	3948	7	42	45
A-E	-21.4061	-84.8053	-65.448	-171.6593	56	1	0	2934	6	39	40
A-F	0.0	0.0	-1.5722	-1.5722	13	0	0	195	0	3	9
B-C	-17.8443	-113.7349	-100.281	-231.8601	74	8	0	4140	6	43	41
B-D	0.0	28.367	-7.5978	20.7692	15	0	0	405	0	6	12
B-F	-12.9545	-88.6896	-66.175	-167.8191	53	2	0	2853	5	40	39
B-M	0.0	0.0	-0.4526	-0.4526	3	0	0	43	0	0	0
C-D	-9.4774	-33.1253	-545.241	-587.8436	167	21	20	22189	2	24	24
C-G	-20.8616	-93.5377	-74.9827	-189.382	65	1	0	3296	5	38	42
C-H	0.0	0.0	-2.413	-2.413	14	0	0	272	0	6	11
C-M	0.0	-4.9347	-39.9363	-44.871	40	0	0	2228	0	28	29
C-N	-2.7741	-19.958	-45.6988	-68.4309	45	0	1	1915	1	11	10
D-H	-18.957	-99.2793	-76.3078	-194.5442	66	2	0	3481	6	42	43
D-M	-21.8705	-16.6529	-95.4593	-133.9827	61	15	1	4180	0	21	12
E-F	-23.3086	-14.0409	-545.688	-583.0375	169	11	20	21926	0	24	23
E-G	0.0	27.5445	-6.4697	21.0747	15	0	0	375	0	6	11
E-H	-16.9204	-105.0119	-77.55	-199.4823	65	1	0	3572	6	44	43
F-G	-35.6159	-80.525	-63.5297	-179.6706	64	4	0	3406	8	39	40
G-H	-36.5998	-35.427	-562.13	-634.1568	169	25	21	22339	2	25	22
I-J	-11.1067	-27.7521	-551.584	-590.4428	168	15	19	22053	1	25	23
I-L	-22.2846	-98.5541	-75.9438	-196.7825	59	2	0	3374	6	37	40
I-O	-19.7615	-98.9987	-79.8836	-198.6437	68	5	0	3719	6	43	44
I-P	0.0	24.3197	-5.6598	18.6599	14	0	0	376	0	6	12
J-K	-27.4704	-118.6711	-79.6028	-225.7443	66	3	0	3579	6	45	44
J-L	0.0	0.0	-1.793	-1.793	12	0	0	257	0	6	9
J-P	-12.5611	-110.995	-76.8177	-200.3738	65	2	0	3437	5	42	42
K-L	-2.5376	-24.5807	-561.797	-588.9154	168	14	21	22332	2	24	23
K-M	-22.3997	-101.4163	-75.0527	-198.8686	66	1	0	3406	6	40	42
K-N	0.0	0.0	-3.6213	-3.6213	14	0	0	340	0	6	12
L-N	-24.3883	-107.0255	-80.0146	-211.4284	69	4	0	3553	6	41	40
M-N	-15.6268	-11.9961	-568.233	-595.8559	169	11	23	22464	0	24	23
M-O	0.0	0.0	-4.4366	-4.4366	14	0	0	340	0	6	10
M-P	-12.7632	-108.9807	-90.9047	-212.6485	72	6	0	3846	6	43	46
N-O	-15.7334	-80.6105	-70.6844	-167.0283	60	1	0	3197	5	37	40
O-P	-15.518	-19.7078	-554.187	-589.4128	171	17	22	22160	0	24	22

Interface residues

• A-B: ALA208A, ALA208B, ALA211A, ALA211B, ALA214A, ALA214B, ALA225A, ALA225B, ALA226A, ALA226B, ALA233A, ALA233B, ALA277A, ALA277B, ALA339A, ALA339B, ARG149A, ARG152A, ARG152B, ARG215A, ARG215B, ARG228A, ARG228B, ARG262A, ARG262B, ARG270A, ARG340B, ARG344A, ARG344B, ASN159A, ASN159B, ASN238A, ASN238B, ASN247A, ASN247B, ASP221A, ASP221B, ASP272A, ASP272B, ASP341A, ASP341B, GLN246A, GLN246B, GLU204A, GLU204B, GLU220A, GLU220B, GLU249A, GLU249B, GLU257A, GLU257B, GLU273A, GLU273B, GLU278A, GLU278B, GLY223A, GLY223B, GLY232A, GLY232B, GLY235A, GLY235B, GLY256A, GLY256B, GLY259A, GLY259B, GLY264A, GLY265A, GLY342A, GLY342B, HIS231A, HIS231B, ILE153A, ILE153B, ILE237A, ILE237B, ILE254A, ILE254B, ILE345A, ILE345B, LEU213A, LEU213B, LEU227A, LEU227B, LEU242A, LEU242B, LEU248A, LEU248B, LEU255A, LEU255B, LEU347A, LYS258A, LYS258B, LYS275A, LYS275B, MET155A, MET155B, MET234A, MET234B, MET241A, MET241B, PHE150A, PHE150B, PHE161A, PHE161B, PHE185A, PHE185B, PHE276A, PHE276B, PRO245A, PRO245B, PRO279B, PRO346A, PRO346B, SER205A, SER205B, SER236A, SER236B, SER251A, SER251B, SER338A, SER338B, THR157A, THR157B, THR210A, THR210B, THR212A, THR212B, THR222A, THR222B, THR240A, THR240B, THR243A, THR243B, THR253A, THR253B, THR260A, THR260B, TRP162A, TRP162B, TRP229A, TRP229B, TRP274A, TRP274B, TYR154A, TYR154B, TYR207A, TYR207B, TYR209A, TYR209B, TYR244A, TYR244B, VAL156A, VAL156B, VAL158A, VAL158B, VAL160A, VAL160B, VAL203A, VAL203B, VAL206A, VAL206B, VAL224A, VAL224B, VAL239A, VAL239B, VAL261A, VAL261B, VAL266B, VAL343A, VAL343B
• A-D: ALA211A, ALA214A, ALA219A, ALA339A, ARG108A, ARG114A, ARG125D, ARG152D, ARG173A, ARG215A, ARG216A, ARG230D, ARG323D, ARG337A, ARG337D, ARG340A, ARG344D, ASP120D, ASP197D, ASP221A, ASP341A, ASP350D, CYS316D, GLN147D, GLN327D, GLU110A, GLU146D, GLU179A, GLU204D, GLU218A, GLU220A, GLU317D, GLU319D, GLU324D, GLY148D, GLY176A, GLY182A, GLY201D, GLY232D, GLY342A, HIS231D, ILE145D, ILE217A, ILE345D, LEU213A, LEU326D, LEU347D, LEU349D, LEU84A, LYS113D, LYS117D, LYS142D, LYS177A, PRO202D, PRO318D, PRO346D, PRO348D, SER205D, THR210A, THR212A, THR333A, TRP109D, TRP178A, TRP180A, TRP87A, TYR207A, TYR336A, VAL116D, VAL200D, VAL203D, VAL343A
• A-E: ALA211E, ALA219E, ALA339E, ARG108E, ARG114E, ARG173E, ARG216E, ARG230A, ARG323A, ARG337A, ARG337E, ARG340E, ARG344A, ASP111E, ASP120A, ASP341E, ASP350A, GLN327A, GLU110E, GLU121A, GLU146A, GLU179E, GLU204A, GLU218E, GLU220E, GLU317A, GLU324A, GLY342E, HIS231A, ILE217E, ILE345A, ILE90E, LEU213E, LEU326A, LEU347A, LEU349A, LEU84E, LYS113A, LYS117A, LYS177E, PRO202A, PRO346A, PRO348A, SER205A, THR210E, THR212E, THR333E, TRP109A, TRP109E, TRP178E, TRP180E, TRP87E, TYR207E, TYR336E, VAL116A, VAL343E
• A-F: ARG152A, ARG152F, ARG228A, ARG228F, ARG230A, ARG344A, ARG344F, GLU204A, GLU204F, GLY232A, GLY232F, HIS231A, HIS231F
• B-C: ALA184C, ALA211C, ALA214C, ALA219C, ALA339C, ARG108C, ARG114C, ARG125B, ARG152B, ARG173C, ARG215C, ARG216C, ARG230B, ARG323B, ARG337B, ARG337C, ARG340C, ARG344B, ASP111C, ASP120B, ASP197B, ASP221C, ASP341C, ASP350B, CYS316B, GLN147B, GLN327B, GLU110C, GLU121B, GLU146B, GLU179C, GLU204B, GLU218C, GLU220C, GLU317B, GLU324B, GLY148B, GLY183C, GLY201B, GLY232B, GLY342C, HIS231B, ILE145B, ILE217C, ILE345B, ILE90C, LEU213C, LEU326B, LEU347B, LEU349B, LEU84C, LYS113B, LYS117B, LYS142B, LYS177C, PRO202B, PRO318B, PRO346B, PRO348B, PRO86C, SER205B, THR210C, THR212C, THR222C, THR333C, TRP109B, TRP109C, TRP178C, TRP180C, TRP87C, TYR336C, VAL116B, VAL203B, VAL343C
• B-D: ARG152B, ARG152D, ARG228B, ARG228D, ARG230B, ARG230D, ARG344B, ARG344D, GLU204B, GLU204D, GLY232B, GLY232D, HIS231B, HIS231D, MET234D
• B-F: ALA211B, ALA219B, ALA339B, ARG108B, ARG114B, ARG152F, ARG173B, ARG230F, ARG323F, ARG337B, ARG337F, ARG340B, ARG344F, ASP111B, ASP120F, ASP341B, ASP350F, GLN327F, GLU110B, GLU121F, GLU179B, GLU204F, GLU218B, GLU220B, GLU317F, GLY342B, HIS231F, ILE217B, ILE345F, ILE90B, LEU213B, LEU326F, LEU347F, LEU349F, LEU84B, LYS113F, LYS117F, LYS177B, PRO202F, PRO346F, PRO348F, PRO86B, SER205F, THR210B, THR212B, THR333B, TRP109F, TRP178B, TRP180B, TRP87B, TYR336B, VAL116F, VAL343B
• B-M: HIS2B, LYS285M, PRO281M
• C-D: ALA208C, ALA208D, ALA211C, ALA211D, ALA214C, ALA214D, ALA225C, ALA225D, ALA226C, ALA226D, ALA233C, ALA233D, ALA277C, ALA277D, ALA339C, ALA339D, ARG152C, ARG152D, ARG215C, ARG215D, ARG228C, ARG228D, ARG262C, ARG262D, ARG344C, ARG344D, ASN159C, ASN159D, ASN238C, ASN238D, ASN247C, ASN247D, ASP221C, ASP221D, ASP272C, ASP272D, ASP341C, ASP341D, GLN246C, GLN246D, GLU204C, GLU204D, GLU220C, GLU220D, GLU249C, GLU249D, GLU257C, GLU257D, GLU273C, GLU273D, GLU278C, GLU278D, GLY223C, GLY223D, GLY232C, GLY232D, GLY235C, GLY235D, GLY256C, GLY256D, GLY259C, GLY259D, GLY342C, GLY342D, HIS231C, HIS231D, ILE153C, ILE153D, ILE237C, ILE237D, ILE254C, ILE254D, ILE345C, ILE345D, LEU213C, LEU213D, LEU227C, LEU227D, LEU242C, LEU242D, LEU248C, LEU248D, LEU255C, LEU255D, LEU347D, LYS258C, LYS258D, LYS275C, LYS275D, MET155C, MET155D, MET234C, MET234D, MET241C, MET241D, PHE150C, PHE150D, PHE161C, PHE161D, PHE185C, PHE185D, PHE276C, PHE276D, PRO245C, PRO245D, PRO346C, PRO346D, SER205C, SER205D, SER236C, SER236D, SER251C, SER251D, SER338C, SER338D, THR157C, THR157D, THR163C, THR163D, THR210C, THR210D, THR212C, THR212D, THR222C, THR222D, THR240C, THR240D, THR243C, THR243D, THR253C, THR253D, THR260C, THR260D, TRP162C, TRP162D, TRP229C, TRP229D, TRP274C, TRP274D, TYR154C, TYR154D, TYR207C, TYR207D, TYR209C, TYR209D, TYR244C, TYR244D, VAL156C, VAL156D, VAL158C, VAL158D, VAL160C, VAL160D, VAL203C, VAL203D, VAL206C, VAL206D, VAL224C, VAL224D, VAL239C, VAL239D, VAL261C, VAL261D, VAL266C, VAL266D, VAL343C, VAL343D
• C-G: ALA211G, ALA214G, ALA219G, ALA339G, ARG108G, ARG114G, ARG125C, ARG152C, ARG173G, ARG215G, ARG216G, ARG230C, ARG323C, ARG337C, ARG337G, ARG340G, ARG344C, ASP120C, ASP197C, ASP341G, ASP350C, GLN147C, GLN327C, GLU110G, GLU121C, GLU146C, GLU179G, GLU204C, GLU218G, GLU220G, GLU317C, GLU324C, GLY148C, GLY232C, GLY342G, HIS231C, ILE145C, ILE217G, ILE345C, LEU213G, LEU326C, LEU347C, LEU349C, LEU84G, LYS113C, LYS117C, LYS177G, PRO202C, PRO318C, PRO346C, PRO348C, SER205C, SER338G, THR210G, THR212G, THR333G, TRP109C, TRP178G, TRP180G, TRP87G, TYR207G, TYR336G, VAL116C, VAL203C, VAL343G
• C-H: ARG152C, ARG152H, ARG228C, ARG228H, ARG230C, ARG230H, ARG344C, ARG344H, GLU204C, GLU204H, GLY232C, GLY232H, HIS231C, HIS231H
• C-M: ARG262C, ARG262M, ARG270C, ARG270M, ARG287C, ARG287M, ASN290C, ASN290M, ASP272C, ASP272M, ASP283C, ASP283M, ASP284C, ASP284M, GLN246C, GLN246M, GLU273C, GLU273M, GLU288C, GLU288M, ILE271C, ILE271M, ILE286C, ILE286M, LYS275C, LYS275M, LYS285C, LYS285M, PHE276C, PRO245C, PRO245M, THR260M, THR294M, TRP274C, TRP274M, TYR244C, TYR291C, TYR291M, VAL261C, VAL261M
• C-N: ALA171C, ALA289N, ALA28C, ALA30C, ARG164C, ARG20C, ARG270N, ARG287N, ASN24C, ASN290N, ASP284N, GLN131C, GLN246C, GLN31C, GLU167C, GLU288N, GLU292N, GLY265N, GLY27C, GLY298C, GLY300C, HIS25C, HIS301C, ILE21C, ILE26C, ILE286N, ILE29C, LEU248N, LYS23C, LYS275N, LYS285N, PHE299C, PRO279N, PRO302C, SER295C, SER295N, THR293N, THR294C, THR294N, TYR168C, TYR291C, TYR291N, TYR297C, VAL266N, VAL296C
• D-H: ALA211D, ALA214D, ALA219D, ALA339D, ARG108D, ARG114D, ARG125H, ARG152H, ARG173D, ARG215D, ARG216D, ARG228H, ARG230H, ARG323H, ARG337D, ARG337H, ARG340D, ARG344H, ASP111D, ASP120H, ASP197H, ASP341D, ASP350H, GLN327H, GLU110D, GLU121H, GLU146H, GLU179D, GLU204H, GLU218D, GLU220D, GLU317H, GLU324H, GLY232H, GLY342D, HIS231H, ILE145H, ILE217D, ILE345H, ILE90D, LEU213D, LEU326H, LEU347H, LEU349H, LEU84D, LYS113H, LYS117H, LYS177D, PRO202H, PRO318H, PRO346H, PRO348H, SER205H, SER338D, THR210D, THR212D, THR333D, TRP109D, TRP109H, TRP178D, TRP180D, TRP87D, TYR207D, TYR336D, VAL116H, VAL343D
• D-M: ALA289D, ALA28M, ALA30M, ALA55M, ARG164M, ARG20M, ARG270D, ARG287D, ASN24M, ASN269D, ASN290D, ASP272D, ASP283D, ASP284D, GLN131M, GLN246M, GLN31M, GLU167M, GLU288D, GLU292D, GLU292M, GLY265D, GLY27M, GLY298M, GLY300M, GLY33M, HIS191M, HIS25M, HIS301M, HIS32M, ILE21M, ILE26M, ILE271D, ILE286D, ILE29M, LEU248D, LEU303M, LYS23M, LYS275D, LYS285D, PHE276D, PHE299M, PRO165M, PRO279D, PRO281D, PRO302M, SER22M, SER295D, SER295M, THR137D, THR294D, THR294M, TYR168M, TYR291D, TYR291M, TYR297M, TYR304M, TYR305M, VAL266D, VAL296D, VAL296M
• E-F: ALA208E, ALA208F, ALA211E, ALA211F, ALA214E, ALA214F, ALA225E, ALA225F, ALA226E, ALA226F, ALA233E, ALA233F, ALA277E, ALA277F, ALA339E, ALA339F, ARG152E, ARG152F, ARG215E, ARG215F, ARG228E, ARG228F, ARG262E, ARG262F, ARG270E, ARG270F, ARG340E, ARG344E, ARG344F, ASN159E, ASN159F, ASN238E, ASN238F, ASN247E, ASN247F, ASP221E, ASP221F, ASP272E, ASP272F, ASP341E, ASP341F, GLN246E, GLN246F, GLU204E, GLU204F, GLU220E, GLU220F, GLU249E, GLU249F, GLU257E, GLU257F, GLU273E, GLU273F, GLU278E, GLU278F, GLY223E, GLY223F, GLY232E, GLY232F, GLY235E, GLY235F, GLY256E, GLY256F, GLY259E, GLY259F, GLY342E, GLY342F, HIS231E, HIS231F, ILE153E, ILE153F, ILE237E, ILE237F, ILE254E, ILE254F, ILE345E, ILE345F, LEU213E, LEU213F, LEU227E, LEU227F, LEU242E, LEU242F, LEU248E, LEU248F, LEU255E, LEU255F, LYS258E, LYS258F, LYS275E, LYS275F, MET155E, MET155F, MET234E, MET234F, MET241E, MET241F, PHE150E, PHE150F, PHE161E, PHE161F, PHE185E, PHE185F, PHE276E, PHE276F, PRO245E, PRO245F, PRO279E, PRO279F, PRO346E, PRO346F, SER205E, SER205F, SER236E, SER236F, SER251E, SER251F, SER338E, SER338F, THR157E, THR157F, THR163E, THR163F, THR210E, THR210F, THR212E, THR212F, THR222E, THR222F, THR240E, THR240F, THR243E, THR243F, THR253E, THR253F, THR260E, THR260F, TRP162E, TRP162F, TRP229E, TRP229F, TRP274E, TRP274F, TYR154E, TYR154F, TYR207E, TYR207F, TYR209E, TYR209F, TYR244E, TYR244F, VAL156E, VAL156F, VAL158E, VAL158F, VAL160E, VAL160F, VAL203E, VAL203F, VAL206E, VAL206F, VAL224E, VAL224F, VAL239E, VAL239F, VAL261E, VAL261F, VAL343E, VAL343F
• E-G: ARG152E, ARG152G, ARG228E, ARG228G, ARG230E, ARG230G, ARG344E, ARG344G, GLU204E, GLU204G, GLY232E, GLY232G, HIS231E, HIS231G, TYR154G
• E-H: ALA211H, ALA214H, ALA219H, ALA339H, ARG108H, ARG114H, ARG152E, ARG173H, ARG215H, ARG216H, ARG230E, ARG323E, ARG337E, ARG337H, ARG340H, ARG344E, ASP120E, ASP197E, ASP221H, ASP321E, ASP341H, ASP350E, CYS316E, GLN327E, GLU110H, GLU121E, GLU146E, GLU179H, GLU204E, GLU218H, GLU220H, GLU317E, GLU319E, GLU324E, GLY201E, GLY232E, GLY342H, HIS231E, ILE145E, ILE217H, ILE345E, LEU213H, LEU326E, LEU347E, LEU349E, LEU84H, LYS113E, LYS117E, LYS177H, PRO202E, PRO318E, PRO346E, PRO348E, SER205E, THR210H, THR212H, THR333H, TRP109E, TRP178H, TRP180H, TRP87H, TYR336H, VAL116E, VAL203E, VAL343H
• F-G: ALA211F, ALA214F, ALA219F, ALA339F, ARG108F, ARG114F, ARG125G, ARG152G, ARG173F, ARG215F, ARG216F, ARG230G, ARG323G, ARG337F, ARG337G, ARG340F, ARG344G, ASP120G, ASP197G, ASP341F, ASP350G, GLN327G, GLU110F, GLU110G, GLU121G, GLU146G, GLU179F, GLU204G, GLU218F, GLU220F, GLU317G, GLY201G, GLY232G, GLY342F, HIS231G, ILE145G, ILE217F, ILE345G, LEU213F, LEU326G, LEU347G, LEU349G, LEU84F, LYS113G, LYS117G, LYS142G, LYS177F, PRO202G, PRO318G, PRO346G, PRO348G, SER205G, THR210F, THR212F, THR333F, TRP109G, TRP178F, TRP180F, TRP87F, TYR207F, TYR336F, VAL116G, VAL203G, VAL343F
• G-H: ALA208G, ALA208H, ALA211G, ALA211H, ALA214G, ALA214H, ALA225G, ALA225H, ALA226G, ALA226H, ALA233G, ALA233H, ALA277G, ALA277H, ALA339G, ALA339H, ARG152G, ARG152H, ARG215G, ARG215H, ARG228G, ARG228H, ARG262G, ARG262H, ARG270H, ARG340G, ARG340H, ARG344G, ARG344H, ASN159G, ASN159H, ASN238G, ASN238H, ASN247G, ASN247H, ASP221G, ASP221H, ASP272G, ASP272H, ASP341G, ASP341H, GLN246G, GLN246H, GLU204G, GLU204H, GLU220G, GLU220H, GLU249G, GLU249H, GLU257G, GLU257H, GLU273G, GLU273H, GLU278G, GLU278H, GLY223G, GLY223H, GLY232G, GLY232H, GLY235G, GLY235H, GLY256G, GLY256H, GLY259G, GLY259H, GLY265H, GLY342G, GLY342H, HIS231G, HIS231H, ILE153G, ILE153H, ILE237G, ILE237H, ILE254G, ILE254H, ILE345G, ILE345H, LEU213G, LEU213H, LEU227G, LEU227H, LEU242G, LEU242H, LEU248G, LEU248H, LEU255G, LEU255H, LYS258G, LYS258H, LYS275G, LYS275H, MET155G, MET155H, MET234G, MET234H, MET241G, MET241H, PHE150G, PHE150H, PHE161G, PHE161H, PHE185G, PHE185H, PHE276G, PHE276H, PRO245G, PRO245H, PRO346G, PRO346H, SER205G, SER205H, SER236G, SER236H, SER251G, SER251H, SER338G, SER338H, THR157G, THR157H, THR163G, THR210G, THR210H, THR212G, THR212H, THR222G, THR222H, THR240G, THR240H, THR243G, THR243H, THR253G, THR253H, THR260G, THR260H, TRP162G, TRP162H, TRP229G, TRP229H, TRP274G, TRP274H, TYR154G, TYR154H, TYR207G, TYR207H, TYR209G, TYR209H, TYR244G, TYR244H, VAL156G, VAL156H, VAL158G, VAL158H, VAL160G, VAL160H, VAL203G, VAL203H, VAL206G, VAL206H, VAL224G, VAL224H, VAL239G, VAL239H, VAL261G, VAL261H, VAL266G, VAL266H, VAL343G, VAL343H
• I-J: ALA208I, ALA208J, ALA211I, ALA211J, ALA214I, ALA214J, ALA225I, ALA225J, ALA226I, ALA226J, ALA233I, ALA233J, ALA277I, ALA277J, ALA339I, ALA339J, ARG149I, ARG152I, ARG152J, ARG215I, ARG215J, ARG228I, ARG228J, ARG262I, ARG262J, ARG340J, ARG344I, ARG344J, ASN159I, ASN159J, ASN238I, ASN238J, ASN247I, ASN247J, ASP221I, ASP221J, ASP272I, ASP272J, ASP341I, ASP341J, GLN246I, GLN246J, GLU204I, GLU204J, GLU220I, GLU220J, GLU249I, GLU249J, GLU257I, GLU257J, GLU273I, GLU273J, GLU278I, GLU278J, GLY223I, GLY223J, GLY232I, GLY232J, GLY235I, GLY235J, GLY256I, GLY256J, GLY259I, GLY259J, GLY342I, GLY342J, HIS231I, HIS231J, ILE153I, ILE153J, ILE237I, ILE237J, ILE254I, ILE254J, ILE345I, ILE345J, LEU213I, LEU213J, LEU227I, LEU227J, LEU242I, LEU242J, LEU248I, LEU248J, LEU255I, LEU255J, LEU347J, LYS258I, LYS258J, LYS275I, LYS275J, MET155I, MET155J, MET234I, MET234J, MET241I, MET241J, PHE150I, PHE150J, PHE161I, PHE161J, PHE185I, PHE185J, PHE276I, PHE276J, PRO245I, PRO245J, PRO279J, PRO346I, PRO346J, SER205I, SER205J, SER236I, SER236J, SER251I, SER251J, SER338I, SER338J, THR157I, THR157J, THR163I, THR210I, THR210J, THR212I, THR212J, THR222I, THR222J, THR240I, THR240J, THR243I, THR243J, THR253I, THR253J, THR260I, THR260J, TRP162I, TRP162J, TRP229I, TRP229J, TRP274I, TRP274J, TYR154I, TYR154J, TYR207I, TYR207J, TYR209I, TYR209J, TYR244I, TYR244J, VAL156I, VAL156J, VAL158I, VAL158J, VAL160I, VAL160J, VAL203I, VAL203J, VAL206I, VAL206J, VAL224I, VAL224J, VAL239I, VAL239J, VAL261I, VAL261J, VAL266I, VAL343I, VAL343J
• I-L: ALA211I, ALA214I, ALA219I, ALA339I, ARG108I, ARG114I, ARG152L, ARG173I, ARG215I, ARG216I, ARG230L, ARG323L, ARG337I, ARG337L, ARG340I, ARG344L, ASP111I, ASP120L, ASP197L, ASP221I, ASP341I, ASP350L, GLN327L, GLU110I, GLU121L, GLU146L, GLU179I, GLU204L, GLU218I, GLU220I, GLU317L, GLY148L, GLY342I, HIS231L, ILE217I, ILE345L, ILE90I, LEU213I, LEU326L, LEU347L, LEU349L, LEU84I, LYS113L, LYS117L, LYS177I, PRO202L, PRO346L, PRO348L, SER205L, THR210I, THR212I, THR333I, TRP109L, TRP178I, TRP180I, TRP87I, TYR336I, VAL116L, VAL343I
• I-O: ALA211O, ALA214O, ALA219O, ALA339O, ARG108O, ARG114O, ARG125I, ARG152I, ARG173O, ARG215O, ARG216O, ARG230I, ARG323I, ARG337I, ARG337O, ARG340O, ARG344I, ASP111O, ASP120I, ASP197I, ASP221O, ASP341O, ASP350I, GLN327I, GLU110I, GLU110O, GLU121I, GLU146I, GLU179O, GLU204I, GLU218O, GLU220O, GLU317I, GLY148I, GLY182O, GLY201I, GLY232I, GLY342O, HIS231I, ILE145I, ILE217O, ILE345I, ILE90O, LEU213O, LEU326I, LEU347I, LEU349I, LEU84O, LYS113I, LYS117I, LYS177O, PRO202I, PRO318I, PRO346I, PRO348I, SER205I, THR210O, THR212O, THR333O, TRP109I, TRP109O, TRP178O, TRP180O, TRP87O, TYR207O, TYR336O, VAL116I, VAL343O
• I-P: ARG152I, ARG152P, ARG228I, ARG228P, ARG230I, ARG230P, ARG344I, ARG344P, GLU204I, GLU204P, GLY232I, GLY232P, HIS231I, HIS231P
• J-K: ALA211K, ALA214K, ALA219K, ALA339K, ARG108K, ARG114J, ARG114K, ARG125J, ARG152J, ARG173K, ARG215K, ARG216K, ARG228J, ARG230J, ARG323J, ARG337J, ARG337K, ARG340K, ARG344J, ASP120J, ASP197J, ASP221K, ASP341K, ASP350J, GLN327J, GLU110K, GLU121J, GLU146J, GLU179K, GLU204J, GLU218K, GLU220K, GLU317J, GLU324J, GLY182K, GLY232J, GLY342K, HIS231J, ILE217K, ILE345J, LEU213K, LEU326J, LEU347J, LEU349J, LEU84K, LYS113J, LYS117J, LYS142J, LYS177K, PRO202J, PRO318J, PRO346J, PRO348J, SER205J, THR210K, THR212K, THR333K, TRP109J, TRP109K, TRP178K, TRP180K, TRP87K, TYR207K, TYR336K, VAL116J, VAL343K
• J-L: ARG152J, ARG152L, ARG228J, ARG228L, ARG344J, ARG344L, GLU204J, GLU204L, GLY232J, GLY232L, HIS231J, HIS231L
• J-P: ALA211J, ALA214J, ALA219J, ALA339J, ARG108J, ARG114J, ARG125P, ARG152P, ARG173J, ARG215J, ARG216J, ARG230P, ARG323P, ARG337J, ARG337P, ARG340J, ARG344P, ASP120P, ASP197P, ASP321P, ASP341J, ASP350P, GLN327P, GLU110J, GLU121P, GLU146P, GLU179J, GLU204P, GLU218J, GLU220J, GLU317P, GLU324P, GLY182J, GLY201P, GLY232P, GLY342J, HIS231P, ILE145P, ILE217J, ILE345P, LEU213J, LEU326P, LEU347P, LEU349P, LEU84J, LYS113P, LYS117P, LYS142P, LYS177J, PRO202P, PRO318P, PRO346P, PRO348P, SER205P, THR210J, THR212J, THR333J, TRP109P, TRP178J, TRP180J, TRP87J, TYR336J, VAL116P, VAL203P, VAL343J
• K-L: ALA208K, ALA208L, ALA211K, ALA211L, ALA214K, ALA214L, ALA225K, ALA225L, ALA226K, ALA226L, ALA233K, ALA233L, ALA277K, ALA277L, ALA339K, ALA339L, ARG152K, ARG152L, ARG215K, ARG215L, ARG228K, ARG228L, ARG262K, ARG262L, ARG340K, ARG340L, ARG344K, ARG344L, ASN159K, ASN159L, ASN238K, ASN238L, ASN247K, ASN247L, ASP221K, ASP221L, ASP272K, ASP272L, ASP341K, ASP341L, GLN246K, GLN246L, GLU204K, GLU204L, GLU220K, GLU220L, GLU249K, GLU249L, GLU257K, GLU257L, GLU273K, GLU273L, GLU278K, GLU278L, GLY223K, GLY223L, GLY232K, GLY232L, GLY235K, GLY235L, GLY256K, GLY256L, GLY259K, GLY259L, GLY264L, GLY265L, GLY342K, GLY342L, HIS231K, HIS231L, ILE153K, ILE153L, ILE237K, ILE237L, ILE254K, ILE254L, ILE345K, ILE345L, LEU213K, LEU213L, LEU227K, LEU227L, LEU242K, LEU242L, LEU248K, LEU248L, LEU255K, LEU255L, LYS258K, LYS258L, LYS275K, LYS275L, MET155K, MET155L, MET234K, MET234L, MET241K, MET241L, PHE150K, PHE150L, PHE161K, PHE161L, PHE185K, PHE185L, PHE276K, PHE276L, PRO245K, PRO245L, PRO279L, PRO346K, PRO346L, SER205K, SER205L, SER236K, SER236L, SER251K, SER251L, SER338K, SER338L, THR157K, THR157L, THR210K, THR210L, THR212K, THR212L, THR222K, THR222L, THR240K, THR240L, THR243K, THR243L, THR253K, THR253L, THR260K, THR260L, TRP162K, TRP162L, TRP229K, TRP229L, TRP274K, TRP274L, TYR154K, TYR154L, TYR207K, TYR207L, TYR209K, TYR209L, TYR244K, TYR244L, VAL156K, VAL156L, VAL158K, VAL158L, VAL160K, VAL160L, VAL203K, VAL203L, VAL206K, VAL206L, VAL224K, VAL224L, VAL239K, VAL239L, VAL261K, VAL261L, VAL266L, VAL343K, VAL343L
• K-M: ALA211M, ALA214M, ALA219M, ALA339M, ARG108M, ARG114M, ARG125K, ARG152K, ARG173M, ARG215M, ARG216M, ARG230K, ARG323K, ARG337K, ARG337M, ARG340M, ARG344K, ASP120K, ASP197K, ASP221M, ASP341M, ASP350K, GLN147K, GLN327K, GLU110M, GLU121K, GLU146K, GLU179M, GLU204K, GLU218M, GLU220M, GLU317K, GLU319K, GLU324K, GLY148K, GLY201K, GLY232K, GLY342M, HIS231K, ILE145K, ILE217M, ILE345K, LEU213M, LEU326K, LEU347K, LEU349K, LEU84M, LYS113K, LYS117K, LYS177M, PRO202K, PRO318K, PRO346K, PRO348K, SER205K, THR210M, THR212M, THR333M, TRP109K, TRP178M, TRP180M, TRP87M, TYR207M, TYR336M, VAL116K, VAL343M
• K-N: ARG152K, ARG152N, ARG228K, ARG228N, ARG230K, ARG230N, ARG344K, ARG344N, GLU204K, GLU204N, GLY232K, GLY232N, HIS231K, HIS231N
• L-N: ALA211L, ALA214L, ALA219L, ALA339L, ARG108L, ARG114L, ARG152N, ARG173L, ARG215L, ARG216L, ARG230N, ARG323N, ARG337L, ARG337N, ARG340L, ARG344N, ASP111L, ASP120N, ASP197N, ASP321N, ASP341L, ASP350N, GLN327N, GLU110L, GLU121N, GLU146N, GLU179L, GLU204N, GLU218L, GLU220L, GLU317N, GLU324N, GLU91L, GLY201N, GLY232N, GLY342L, HIS231N, ILE145N, ILE217L, ILE345N, ILE90L, LEU199N, LEU213L, LEU326N, LEU347N, LEU349N, LEU84L, LYS113N, LYS117N, LYS142N, LYS177L, PRO202N, PRO318N, PRO346N, PRO348N, PRO86L, SER205N, THR210L, THR212L, THR333L, TRP109L, TRP109N, TRP178L, TRP180L, TRP87L, TYR207L, TYR336L, VAL116N, VAL343L
• M-N: ALA208M, ALA208N, ALA211M, ALA211N, ALA214M, ALA214N, ALA225M, ALA225N, ALA226M, ALA226N, ALA233M, ALA233N, ALA277M, ALA277N, ALA339M, ALA339N, ARG152M, ARG152N, ARG215M, ARG215N, ARG228M, ARG228N, ARG262M, ARG262N, ARG270M, ARG270N, ARG340M, ARG340N, ARG344M, ARG344N, ASN159M, ASN159N, ASN238M, ASN238N, ASN247M, ASN247N, ASP221M, ASP221N, ASP272M, ASP272N, ASP341M, ASP341N, GLN246M, GLN246N, GLU204M, GLU204N, GLU220M, GLU220N, GLU249M, GLU249N, GLU257M, GLU257N, GLU273M, GLU273N, GLU278M, GLU278N, GLY223M, GLY223N, GLY232M, GLY232N, GLY235M, GLY235N, GLY256M, GLY256N, GLY259M, GLY259N, GLY342M, GLY342N, HIS231M, HIS231N, ILE153M, ILE153N, ILE237M, ILE237N, ILE254M, ILE254N, ILE345M, ILE345N, LEU213M, LEU213N, LEU227M, LEU227N, LEU242M, LEU242N, LEU248M, LEU248N, LEU255M, LEU255N, LYS258M, LYS258N, LYS275M, LYS275N, MET155M, MET155N, MET234M, MET234N, MET241M, MET241N, PHE150M, PHE150N, PHE161M, PHE161N, PHE185M, PHE185N, PHE276M, PHE276N, PRO245M, PRO245N, PRO346M, PRO346N, SER205M, SER205N, SER236M, SER236N, SER251M, SER251N, SER338M, SER338N, THR157M, THR157N, THR163N, THR210M, THR210N, THR212M, THR212N, THR222M, THR222N, THR240M, THR240N, THR243M, THR243N, THR253M, THR253N, THR260M, THR260N, TRP162M, TRP162N, TRP229M, TRP229N, TRP274M, TRP274N, TYR154M, TYR154N, TYR207M, TYR207N, TYR209M, TYR209N, TYR244M, TYR244N, VAL156M, VAL156N, VAL158M, VAL158N, VAL160M, VAL160N, VAL203M, VAL203N, VAL206M, VAL206N, VAL224M, VAL224N, VAL239M, VAL239N, VAL261M, VAL261N, VAL266M, VAL266N, VAL343M, VAL343N
• M-O: ARG152M, ARG152O, ARG228M, ARG228O, ARG230M, ARG230O, ARG344M, ARG344O, GLU204M, GLU204O, GLY232M, GLY232O, HIS231M, HIS231O
• M-P: ALA211P, ALA214P, ALA219P, ALA339P, ARG108P, ARG114M, ARG114P, ARG125M, ARG152M, ARG173P, ARG215P, ARG216P, ARG228M, ARG230M, ARG323M, ARG337M, ARG337P, ARG340P, ARG344M, ASP111P, ASP120M, ASP197M, ASP221P, ASP341P, ASP350M, GLN327M, GLU110P, GLU121M, GLU146M, GLU179P, GLU204M, GLU218P, GLU220P, GLU317M, GLU91P, GLY148M, GLY232M, GLY342P, GLY83P, HIS231M, ILE145M, ILE217P, ILE345M, ILE90P, LEU213P, LEU326M, LEU347M, LEU349M, LEU84P, LYS113M, LYS117M, LYS177P, PRO202M, PRO318M, PRO346M, PRO348M, PRO86P, SER205M, SER338P, THR210P, THR212P, THR333P, TRP109M, TRP109P, TRP178P, TRP180P, TRP87P, TYR207P, TYR336P, VAL116M, VAL203M, VAL343P
• N-O: ALA211N, ALA219N, ALA339N, ARG108N, ARG114N, ARG125O, ARG152O, ARG173N, ARG215N, ARG216N, ARG230O, ARG323O, ARG337N, ARG337O, ARG340N, ARG344O, ASP120O, ASP341N, ASP350O, GLN327O, GLU110N, GLU121O, GLU146O, GLU179N, GLU204O, GLU218N, GLU220N, GLU317O, GLU324O, GLY148O, GLY232O, GLY342N, HIS231O, ILE145O, ILE217N, ILE345O, LEU213N, LEU326O, LEU347O, LEU349O, LEU84N, LYS113O, LYS117O, LYS177N, PRO202O, PRO318O, PRO346O, PRO348O, SER205O, THR210N, THR212N, THR333N, TRP109O, TRP178N, TRP180N, TRP87N, TYR207N, TYR336N, VAL116O, VAL343N
• O-P: ALA208O, ALA208P, ALA211O, ALA211P, ALA214O, ALA214P, ALA225O, ALA225P, ALA226O, ALA226P, ALA233O, ALA233P, ALA277O, ALA277P, ALA339O, ALA339P, ARG152O, ARG152P, ARG215O, ARG215P, ARG228O, ARG228P, ARG262O, ARG262P, ARG270O, ARG287O, ARG340O, ARG340P, ARG344O, ARG344P, ASN159O, ASN159P, ASN238O, ASN238P, ASN247O, ASN247P, ASP221O, ASP221P, ASP272O, ASP272P, ASP341O, ASP341P, GLN246O, GLN246P, GLU204O, GLU204P, GLU220O, GLU220P, GLU249O, GLU249P, GLU257O, GLU257P, GLU273O, GLU273P, GLU278O, GLU278P, GLY223O, GLY223P, GLY232O, GLY232P, GLY235O, GLY235P, GLY256O, GLY256P, GLY259O, GLY259P, GLY265O, GLY342O, GLY342P, HIS231O, HIS231P, ILE153O, ILE153P, ILE237O, ILE237P, ILE254O, ILE254P, ILE345O, ILE345P, LEU213O, LEU213P, LEU227O, LEU227P, LEU242O, LEU242P, LEU248O, LEU248P, LEU255O, LEU255P, LYS258O, LYS258P, LYS275O, LYS275P, MET155O, MET155P, MET234O, MET234P, MET241O, MET241P, PHE150O, PHE150P, PHE161O, PHE161P, PHE185O, PHE185P, PHE276O, PHE276P, PRO245O, PRO245P, PRO279O, PRO279P, PRO346O, PRO346P, SER205O, SER205P, SER236O, SER236P, SER251O, SER251P, SER338O, SER338P, THR157O, THR157P, THR163O, THR210O, THR210P, THR212O, THR212P, THR222O, THR222P, THR240O, THR240P, THR243O, THR243P, THR253O, THR253P, THR260O, THR260P, TRP162O, TRP162P, TRP229O, TRP229P, TRP274O, TRP274P, TYR154O, TYR154P, TYR207O, TYR207P, TYR209O, TYR209P, TYR244O, TYR244P, VAL156O, VAL156P, VAL158O, VAL158P, VAL160O, VAL160P, VAL203O, VAL203P, VAL206O, VAL206P, VAL224O, VAL224P, VAL239O, VAL239P, VAL261O, VAL261P, VAL266O, VAL343O, VAL343P