2AAZ

cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate

• Total interactions analyzed: 120
• Total true interactions: 21
• Strongest Interaction:
  • Chains: I-J
  • Int. Res.: 200
  • Norm. En. per Res.: -2.8622
• Hub Node: A(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	-26.2735	1.5328	-409.761	-434.5017	197	29	7	19669	0	40	50
A-C	0.0	0.0	-2.0961	-2.0961	8	0	0	213	0	6	7
A-D	-8.7033	0.0	-53.9072	-62.6105	38	3	0	2368	0	33	33
B-C	-9.468	-1.517	-60.777	-71.7621	39	2	0	2420	0	33	33
B-D	0.0	0.7705	-3.4814	-2.7109	16	0	0	436	0	14	12
C-D	0.0	1.531	-262.007	-260.476	187	23	7	16274	0	40	50
C-F	-7.0525	0.0	-80.1025	-87.155	64	1	0	4071	0	30	36
E-F	-65.0841	61.8876	-574.501	-577.6974	204	46	7	23831	4	40	49
G-H	-14.5043	1.5163	-414.55	-427.5381	196	28	7	19927	0	40	50
H-J	0.0	-7.9667	6.2993	-1.6674	10	8	0	338	0	7	17
H-M	0.0	0.0	-0.0977	-0.0977	2	0	0	6	0	0	0
H-N	0.0	0.0	293.541	293.541	2	15	0	11	0	0	0
I-J	-54.1793	72.2775	-590.538	-572.4398	200	34	7	23741	4	40	47
I-K	-6.3414	-3.2976	-5.4767	-15.1157	8	0	0	207	2	6	9
I-L	-6.2182	22.7451	-79.1058	-62.5789	43	2	0	2740	0	33	34
J-K	-9.917	22.8012	-77.9438	-65.0596	42	2	0	2709	0	33	33
J-L	0.0	0.7274	-4.7268	-3.9994	20	0	0	445	0	14	12
K-L	-36.6737	71.0538	-597.752	-563.3719	200	34	7	24296	4	40	47
K-N	-14.6421	39.2732	-91.8051	-67.174	67	7	0	4863	0	30	35
M-N	-54.8189	72.3106	-583.123	-565.6313	200	32	7	23631	4	40	47
O-P	-30.6747	76.2369	-591.413	-545.8507	200	37	7	24022	4	40	47

Interface residues

• A-B: ALA136A, ALA136B, ALA173A, ALA173B, ALA183A, ALA183B, ALA200A, ALA200B, ALA256A, ALA256B, ALA317A, ALA47A, ALA47B, ALA50A, ALA50B, ARG155A, ARG155B, ARG167A, ARG167B, ARG168A, ARG168B, ARG216A, ARG216B, ARG260A, ARG29A, ARG29B, ARG37A, ARG37B, ARG40A, ARG40B, ARG55A, ARG55B, ASN104B, ASN163A, ASN163B, ASN175A, ASN175B, ASP151A, ASP151B, ASP166A, ASP166B, ASP178A, ASP178B, ASP219A, ASP219B, ASP255A, ASP255B, ASP39A, ASP39B, CYS187A, CYS187B, CYS191A, CYS191B, CYS211A, CYS211B, CYS218A, CYS218B, GLN130A, GLN130B, GLN152A, GLN152B, GLN192A, GLN192B, GLN215A, GLN215B, GLN252A, GLN252B, GLU137A, GLU137B, GLU248A, GLU248B, GLU35A, GLU35B, GLY135A, GLY135B, GLY149A, GLY149B, GLY254A, GLY254B, GLY42A, GLY42B, GLY44A, GLY44B, HIS133A, HIS133B, HIS247A, HIS247B, HIS257A, HIS257B, ILE169A, ILE169B, ILE170A, ILE170B, ILE250A, ILE250B, LEU171A, LEU171B, LEU179A, LEU179B, LEU184A, LEU184B, LEU197A, LEU197B, LEU209A, LEU209B, LEU212A, LEU212B, LEU251A, LEU251B, LEU48A, LEU48B, LYS177A, LYS177B, LYS208A, LYS208B, MET182A, MET189A, MET189B, MET213A, MET213B, MET253A, MET253B, PHE109A, PHE109B, PHE134A, PHE134B, PHE190A, PHE190B, PHE193A, PHE193B, PHE194A, PHE194B, PHE249A, PHE249B, PHE49A, PHE49B, PHE54A, PHE54B, PRO164A, PRO164B, PRO176A, PRO176B, PRO180A, PRO180B, PRO185A, PRO185B, PRO186A, PRO186B, PRO198A, PRO198B, PRO199A, PRO199B, PRO207A, PRO38A, PRO38B, PRO51A, PRO51B, PRO52A, PRO52B, SER172A, SER172B, SER196A, SER196B, SER210A, SER210B, SER217A, SER217B, SER316A, SER316B, SER53A, SER53B, THR165A, THR165B, THR41A, THR41B, THR43A, THR43B, THR45A, THR45B, TRP131A, TRP131B, TRP174A, TRP174B, TYR214A, TYR214B, TYR259A, TYR259B, VAL113B, VAL150A, VAL150B, VAL195A, VAL195B, VAL258A, VAL36A, VAL36B, VAL46A, VAL46B
• A-C: ASP144A, ASP144C, GLU137A, GLU137C, LYS148A, LYS148C, LYS177A, LYS177C
• A-D: ARG118D, ARG119D, ARG155A, ARG168A, ASN162A, ASN163A, ASP122D, ASP140D, ASP142D, ASP151A, ASP158A, ASP166A, GLN154A, GLU111D, GLU120D, GLU137D, GLY114D, GLY116D, GLY147A, GLY149A, HIS117D, ILE157A, ILE160A, LEU115D, LEU181D, LYS107D, LYS146A, LYS148A, LYS148D, LYS161A, LYS177D, PRO164A, THR139D, THR159A, THR165A, TYR138D, TYR145A, VAL156A
• B-C: ARG118B, ARG119B, ARG155C, ARG168C, ASN162C, ASN163C, ASP122B, ASP140B, ASP142B, ASP151C, ASP158C, ASP166C, GLN154C, GLU111B, GLU120B, GLU137B, GLY114B, GLY116B, GLY147C, GLY149C, HIS117B, ILE157C, ILE160C, LEU110B, LEU115B, LEU181B, LYS107B, LYS146C, LYS148B, LYS148C, LYS161C, LYS177B, PRO164C, THR139B, THR159C, THR165C, TYR138B, TYR145C, VAL156C
• B-D: ARG40B, ARG40D, ASP39B, ASP39D, GLU111B, GLU111D, GLY114B, GLY114D, LYS112B, LYS112D, PRO180B, PRO180D, PRO38B, PRO38D, VAL113B, VAL113D
• C-D: ALA136C, ALA136D, ALA173C, ALA173D, ALA183C, ALA183D, ALA200C, ALA200D, ALA256C, ALA256D, ALA47C, ALA47D, ALA50C, ALA50D, ARG155C, ARG155D, ARG167C, ARG167D, ARG168C, ARG168D, ARG216C, ARG216D, ARG29C, ARG29D, ARG37C, ARG37D, ARG40C, ARG40D, ARG55C, ARG55D, ASN163C, ASN163D, ASN175C, ASN175D, ASP151C, ASP151D, ASP166C, ASP166D, ASP178C, ASP178D, ASP219C, ASP219D, ASP255C, ASP255D, ASP39C, ASP39D, CYS187C, CYS187D, CYS191C, CYS191D, CYS211C, CYS211D, CYS218C, CYS218D, GLN130C, GLN130D, GLN152C, GLN152D, GLN192C, GLN192D, GLN215C, GLN215D, GLN252C, GLN252D, GLU137C, GLU137D, GLU248C, GLU248D, GLU35C, GLU35D, GLY135C, GLY135D, GLY149C, GLY149D, GLY254C, GLY254D, GLY42C, GLY42D, GLY44C, GLY44D, HIS133C, HIS133D, HIS257C, HIS257D, ILE169C, ILE169D, ILE170C, ILE170D, ILE250C, ILE250D, LEU171C, LEU171D, LEU179C, LEU179D, LEU184C, LEU184D, LEU197C, LEU197D, LEU209C, LEU209D, LEU212C, LEU212D, LEU251C, LEU251D, LEU48C, LEU48D, LYS177C, LYS177D, LYS208C, LYS208D, MET189C, MET189D, MET213C, MET213D, MET253C, MET253D, PHE109C, PHE109D, PHE134C, PHE134D, PHE190C, PHE190D, PHE193C, PHE193D, PHE194C, PHE194D, PHE249C, PHE249D, PHE49C, PHE49D, PHE54C, PHE54D, PRO164C, PRO164D, PRO176C, PRO176D, PRO180C, PRO180D, PRO185C, PRO185D, PRO186C, PRO186D, PRO198C, PRO198D, PRO199C, PRO199D, PRO207C, PRO38C, PRO38D, PRO51C, PRO51D, PRO52C, PRO52D, SER172C, SER172D, SER196C, SER196D, SER210C, SER210D, SER217C, SER217D, SER316C, SER316D, SER53C, SER53D, THR165C, THR165D, THR41C, THR41D, THR43C, THR43D, THR45C, THR45D, TRP131C, TRP131D, TRP174C, TRP174D, TYR214C, TYR214D, TYR259C, TYR259D, VAL150C, VAL150D, VAL195C, VAL195D, VAL36C, VAL36D
• C-F: ARG272C, ARG272F, ARG275C, ARG275F, ARG70C, ARG70F, ARG74C, ARG74F, ASP102C, ASP102F, ASP312C, ASP312F, GLN96C, GLN96F, GLU298C, GLU298F, GLU303C, GLU303F, GLY304C, GLY304F, GLY309C, GLY309F, GLY75C, GLY75F, GLY97C, GLY97F, GLY99C, GLY99F, ILE100C, ILE100F, LEU93C, LEU93F, LYS306C, LYS306F, LYS310C, LYS310F, LYS314C, LYS314F, LYS69C, LYS69F, LYS91C, MET313C, MET313F, MET315C, MET315F, PHE226C, PHE226F, PHE72C, PHE72F, PRO307C, PRO307F, SER94C, SER94F, SER95C, SER95F, THR67F, TRP308C, TRP308F, TYR305C, TYR305F, VAL71C, VAL71F, VAL98C, VAL98F
• E-F: ALA136E, ALA136F, ALA173E, ALA173F, ALA183E, ALA183F, ALA200E, ALA200F, ALA256E, ALA256F, ALA317E, ALA317F, ALA47E, ALA47F, ALA50E, ALA50F, ARG155E, ARG155F, ARG167E, ARG167F, ARG168E, ARG168F, ARG216E, ARG216F, ARG260E, ARG260F, ARG29E, ARG29F, ARG37E, ARG37F, ARG40E, ARG40F, ARG55E, ARG55F, ASN104E, ASN104F, ASN163E, ASN163F, ASN175E, ASN175F, ASP151E, ASP151F, ASP166E, ASP166F, ASP178E, ASP178F, ASP219E, ASP219F, ASP255E, ASP255F, ASP39E, ASP39F, CYS187E, CYS187F, CYS191E, CYS191F, CYS211E, CYS211F, CYS218E, CYS218F, GLN130E, GLN130F, GLN152E, GLN152F, GLN192E, GLN192F, GLN215E, GLN215F, GLN252E, GLN252F, GLU137E, GLU137F, GLU248E, GLU248F, GLU35E, GLU35F, GLY135E, GLY135F, GLY149E, GLY149F, GLY254E, GLY254F, GLY42E, GLY42F, GLY44E, GLY44F, HIS133E, HIS133F, HIS247E, HIS247F, HIS257E, HIS257F, ILE169E, ILE169F, ILE170E, ILE170F, ILE250E, ILE250F, LEU171E, LEU171F, LEU179E, LEU179F, LEU184E, LEU184F, LEU197E, LEU197F, LEU209E, LEU209F, LEU212E, LEU212F, LEU251E, LEU251F, LEU48E, LEU48F, LYS177E, LYS177F, LYS208E, LYS208F, MET182E, MET182F, MET189E, MET189F, MET213E, MET213F, MET253E, MET253F, PHE109E, PHE109F, PHE134E, PHE134F, PHE190E, PHE190F, PHE193E, PHE193F, PHE194E, PHE194F, PHE249E, PHE249F, PHE49E, PHE49F, PHE54E, PHE54F, PRO164E, PRO164F, PRO176E, PRO176F, PRO180E, PRO180F, PRO185E, PRO185F, PRO186E, PRO186F, PRO198E, PRO198F, PRO199E, PRO199F, PRO207E, PRO207F, PRO38E, PRO38F, PRO51E, PRO51F, PRO52E, PRO52F, SER172E, SER172F, SER196E, SER196F, SER210E, SER210F, SER217E, SER217F, SER316E, SER316F, SER53E, SER53F, THR165E, THR165F, THR41E, THR41F, THR43E, THR43F, THR45E, THR45F, TRP131E, TRP131F, TRP174E, TRP174F, TYR214E, TYR214F, TYR259E, TYR259F, VAL113E, VAL113F, VAL150E, VAL150F, VAL195E, VAL195F, VAL258E, VAL258F, VAL36E, VAL36F, VAL46E, VAL46F
• G-H: ALA136G, ALA136H, ALA173G, ALA173H, ALA183G, ALA183H, ALA200G, ALA200H, ALA256G, ALA256H, ALA317G, ALA47G, ALA47H, ALA50G, ALA50H, ARG155G, ARG155H, ARG167G, ARG167H, ARG168G, ARG168H, ARG216G, ARG216H, ARG260G, ARG29G, ARG29H, ARG37G, ARG37H, ARG40G, ARG40H, ARG55G, ARG55H, ASN104H, ASN163G, ASN163H, ASN175G, ASN175H, ASP151G, ASP151H, ASP166G, ASP166H, ASP178G, ASP178H, ASP219G, ASP219H, ASP255G, ASP255H, ASP39G, ASP39H, CYS187G, CYS187H, CYS191G, CYS191H, CYS211G, CYS211H, CYS218G, CYS218H, GLN130G, GLN130H, GLN152G, GLN152H, GLN192G, GLN192H, GLN215G, GLN215H, GLN252G, GLN252H, GLU137G, GLU137H, GLU248G, GLU248H, GLU35G, GLU35H, GLY135G, GLY135H, GLY149G, GLY149H, GLY254G, GLY254H, GLY42G, GLY42H, GLY44G, GLY44H, HIS133G, HIS133H, HIS247G, HIS247H, HIS257G, HIS257H, ILE169G, ILE169H, ILE170G, ILE170H, ILE250G, ILE250H, LEU171G, LEU171H, LEU179G, LEU179H, LEU184G, LEU184H, LEU197G, LEU197H, LEU209G, LEU209H, LEU212G, LEU212H, LEU251G, LEU251H, LEU48G, LEU48H, LYS177G, LYS177H, LYS208G, LYS208H, MET182G, MET189G, MET189H, MET213G, MET213H, MET253G, MET253H, PHE109G, PHE109H, PHE134G, PHE134H, PHE190G, PHE190H, PHE193G, PHE193H, PHE194G, PHE194H, PHE249G, PHE249H, PHE49G, PHE49H, PHE54G, PHE54H, PRO164G, PRO164H, PRO176G, PRO176H, PRO180G, PRO180H, PRO185G, PRO185H, PRO186G, PRO186H, PRO198G, PRO198H, PRO199G, PRO199H, PRO207G, PRO38G, PRO38H, PRO51G, PRO51H, PRO52G, PRO52H, SER172G, SER172H, SER196G, SER196H, SER210G, SER210H, SER217G, SER217H, SER316G, SER316H, SER53G, SER53H, THR165G, THR165H, THR41G, THR41H, THR43G, THR43H, THR45G, THR45H, TRP131G, TRP131H, TRP174G, TRP174H, TYR214G, TYR214H, TYR259G, TYR259H, VAL113H, VAL150G, VAL150H, VAL195G, VAL195H, VAL258G, VAL36G, VAL36H, VAL46G
• H-J: ASP243J, GLU287H, GLU287J, GLU288H, GLY290H, LYS146H, LYS146J, LYS286H, LYS286J, SER285H
• H-M: PHE4M, TRP3H
• H-N: PHE7N, TRP8H
• I-J: ALA136I, ALA136J, ALA173I, ALA173J, ALA183I, ALA183J, ALA256I, ALA256J, ALA317I, ALA317J, ALA47I, ALA47J, ALA50I, ALA50J, ARG155I, ARG155J, ARG167I, ARG167J, ARG168I, ARG168J, ARG216I, ARG216J, ARG29I, ARG29J, ARG37I, ARG37J, ARG40I, ARG40J, ARG55I, ARG55J, ASN104I, ASN104J, ASN163I, ASN163J, ASN175I, ASN175J, ASP151I, ASP151J, ASP166I, ASP166J, ASP178I, ASP178J, ASP219I, ASP219J, ASP255I, ASP255J, ASP39I, ASP39J, CYS187I, CYS187J, CYS191I, CYS191J, CYS211I, CYS211J, CYS218I, CYS218J, GLN130I, GLN130J, GLN152I, GLN152J, GLN192I, GLN192J, GLN215I, GLN215J, GLN252I, GLN252J, GLU137I, GLU137J, GLU248I, GLU248J, GLU35I, GLU35J, GLY135I, GLY135J, GLY149I, GLY149J, GLY254I, GLY254J, GLY42I, GLY42J, GLY44I, GLY44J, HIS133I, HIS133J, HIS247I, HIS247J, HIS257I, HIS257J, ILE169I, ILE169J, ILE170I, ILE170J, ILE250I, ILE250J, LEU171I, LEU171J, LEU179I, LEU179J, LEU184I, LEU184J, LEU197I, LEU197J, LEU209I, LEU209J, LEU212I, LEU212J, LEU251I, LEU251J, LEU48I, LEU48J, LYS177I, LYS177J, LYS208I, LYS208J, MET182I, MET182J, MET189I, MET189J, MET213I, MET213J, MET253I, MET253J, PHE109I, PHE109J, PHE134I, PHE134J, PHE190I, PHE190J, PHE193I, PHE193J, PHE194I, PHE194J, PHE249I, PHE249J, PHE49I, PHE49J, PHE54I, PHE54J, PRO164I, PRO164J, PRO176I, PRO176J, PRO180I, PRO180J, PRO185I, PRO185J, PRO186I, PRO186J, PRO198I, PRO198J, PRO199I, PRO199J, PRO207I, PRO207J, PRO38I, PRO38J, PRO51I, PRO51J, PRO52I, PRO52J, SER172I, SER172J, SER196I, SER196J, SER210I, SER210J, SER217I, SER217J, SER316I, SER316J, SER53I, SER53J, THR165I, THR165J, THR41I, THR41J, THR43I, THR43J, THR45I, THR45J, TRP131I, TRP131J, TRP174I, TRP174J, TYR214I, TYR214J, TYR259I, TYR259J, VAL113I, VAL113J, VAL150I, VAL150J, VAL195I, VAL195J, VAL258I, VAL258J, VAL36I, VAL36J, VAL46I, VAL46J
• I-K: ASP144I, ASP144K, GLU137I, GLU137K, LYS148I, LYS148K, LYS177I, LYS177K
• I-L: ALA136L, ARG118L, ARG119L, ARG132I, ARG155I, ARG168I, ASN162I, ASN163I, ASP122L, ASP140L, ASP142L, ASP151I, ASP158I, ASP166I, GLN154I, GLU111L, GLU120L, GLU137L, GLY114L, GLY116L, GLY147I, GLY149I, HIS117L, HIS133I, ILE157I, ILE160I, ILE169I, LEU110L, LEU115L, LEU181L, LYS107L, LYS146I, LYS148I, LYS148L, LYS161I, LYS177L, PRO164I, THR139L, THR159I, THR165I, TYR138L, TYR145I, VAL156I
• J-K: ARG118J, ARG119J, ARG132K, ARG155K, ARG168K, ASN162K, ASN163K, ASP122J, ASP140J, ASP142J, ASP151K, ASP158K, ASP166K, GLN154K, GLU111J, GLU120J, GLU137J, GLY114J, GLY116J, GLY147K, GLY149K, HIS117J, HIS133K, ILE157K, ILE160K, ILE169K, LEU110J, LEU115J, LEU181J, LYS107J, LYS146K, LYS148J, LYS148K, LYS161K, LYS177J, PRO164K, THR139J, THR159K, THR165K, TYR138J, TYR145K, VAL156K
• J-L: ARG40J, ARG40L, ASP39J, ASP39L, GLU111J, GLU111L, GLY114J, GLY114L, LYS112J, LYS112L, PHE5J, PRO180J, PRO180L, PRO38J, PRO38L, TRP3J, TRP3L, TRP8L, VAL113J, VAL113L
• K-L: ALA136K, ALA136L, ALA173K, ALA173L, ALA183K, ALA183L, ALA256K, ALA256L, ALA317K, ALA317L, ALA47K, ALA47L, ALA50K, ALA50L, ARG155K, ARG155L, ARG167K, ARG167L, ARG168K, ARG168L, ARG216K, ARG216L, ARG29K, ARG29L, ARG37K, ARG37L, ARG40K, ARG40L, ARG55K, ARG55L, ASN104K, ASN104L, ASN163K, ASN163L, ASN175K, ASN175L, ASP151K, ASP151L, ASP166K, ASP166L, ASP178K, ASP178L, ASP219K, ASP219L, ASP255K, ASP255L, ASP39K, ASP39L, CYS187K, CYS187L, CYS191K, CYS191L, CYS211K, CYS211L, CYS218K, CYS218L, GLN130K, GLN130L, GLN152K, GLN152L, GLN192K, GLN192L, GLN215K, GLN215L, GLN252K, GLN252L, GLU137K, GLU137L, GLU248K, GLU248L, GLU35K, GLU35L, GLY135K, GLY135L, GLY149K, GLY149L, GLY254K, GLY254L, GLY42K, GLY42L, GLY44K, GLY44L, HIS133K, HIS133L, HIS247K, HIS247L, HIS257K, HIS257L, ILE169K, ILE169L, ILE170K, ILE170L, ILE250K, ILE250L, LEU171K, LEU171L, LEU179K, LEU179L, LEU184K, LEU184L, LEU197K, LEU197L, LEU209K, LEU209L, LEU212K, LEU212L, LEU251K, LEU251L, LEU48K, LEU48L, LYS177K, LYS177L, LYS208K, LYS208L, MET182K, MET182L, MET189K, MET189L, MET213K, MET213L, MET253K, MET253L, PHE109K, PHE109L, PHE134K, PHE134L, PHE190K, PHE190L, PHE193K, PHE193L, PHE194K, PHE194L, PHE249K, PHE249L, PHE49K, PHE49L, PHE54K, PHE54L, PRO164K, PRO164L, PRO176K, PRO176L, PRO180K, PRO180L, PRO185K, PRO185L, PRO186K, PRO186L, PRO198K, PRO198L, PRO199K, PRO199L, PRO207K, PRO207L, PRO38K, PRO38L, PRO51K, PRO51L, PRO52K, PRO52L, SER172K, SER172L, SER196K, SER196L, SER210K, SER210L, SER217K, SER217L, SER316K, SER316L, SER53K, SER53L, THR165K, THR165L, THR41K, THR41L, THR43K, THR43L, THR45K, THR45L, TRP131K, TRP131L, TRP174K, TRP174L, TYR214K, TYR214L, TYR259K, TYR259L, VAL113K, VAL113L, VAL150K, VAL150L, VAL195K, VAL195L, VAL258K, VAL258L, VAL36K, VAL36L, VAL46K, VAL46L
• K-N: ARG272K, ARG272N, ARG275K, ARG275N, ARG70K, ARG70N, ARG74K, ARG74N, ASP102K, ASP102N, ASP312K, ASP312N, GLN96K, GLN96N, GLU298K, GLU298N, GLU303K, GLU303N, GLY304K, GLY304N, GLY309K, GLY309N, GLY75K, GLY75N, GLY97K, GLY97N, GLY99K, GLY99N, ILE100K, ILE100N, LEU222N, LEU93K, LEU93N, LYS306K, LYS306N, LYS310K, LYS310N, LYS314K, LYS314N, LYS69K, LYS69N, LYS91K, LYS91N, MET313K, MET313N, MET315K, MET315N, PHE226K, PHE226N, PHE72K, PHE72N, PRO307K, PRO307N, SER94K, SER94N, SER95K, SER95N, THR67K, THR67N, TRP308K, TRP308N, TYR305K, TYR305N, VAL71K, VAL71N, VAL98K, VAL98N
• M-N: ALA136M, ALA136N, ALA173M, ALA173N, ALA183M, ALA183N, ALA256M, ALA256N, ALA317M, ALA317N, ALA47M, ALA47N, ALA50M, ALA50N, ARG155M, ARG155N, ARG167M, ARG167N, ARG168M, ARG168N, ARG216M, ARG216N, ARG29M, ARG29N, ARG37M, ARG37N, ARG40M, ARG40N, ARG55M, ARG55N, ASN104M, ASN104N, ASN163M, ASN163N, ASN175M, ASN175N, ASP151M, ASP151N, ASP166M, ASP166N, ASP178M, ASP178N, ASP219M, ASP219N, ASP255M, ASP255N, ASP39M, ASP39N, CYS187M, CYS187N, CYS191M, CYS191N, CYS211M, CYS211N, CYS218M, CYS218N, GLN130M, GLN130N, GLN152M, GLN152N, GLN192M, GLN192N, GLN215M, GLN215N, GLN252M, GLN252N, GLU137M, GLU137N, GLU248M, GLU248N, GLU35M, GLU35N, GLY135M, GLY135N, GLY149M, GLY149N, GLY254M, GLY254N, GLY42M, GLY42N, GLY44M, GLY44N, HIS133M, HIS133N, HIS247M, HIS247N, HIS257M, HIS257N, ILE169M, ILE169N, ILE170M, ILE170N, ILE250M, ILE250N, LEU171M, LEU171N, LEU179M, LEU179N, LEU184M, LEU184N, LEU197M, LEU197N, LEU209M, LEU209N, LEU212M, LEU212N, LEU251M, LEU251N, LEU48M, LEU48N, LYS177M, LYS177N, LYS208M, LYS208N, MET182M, MET182N, MET189M, MET189N, MET213M, MET213N, MET253M, MET253N, PHE109M, PHE109N, PHE134M, PHE134N, PHE190M, PHE190N, PHE193M, PHE193N, PHE194M, PHE194N, PHE249M, PHE249N, PHE49M, PHE49N, PHE54M, PHE54N, PRO164M, PRO164N, PRO176M, PRO176N, PRO180M, PRO180N, PRO185M, PRO185N, PRO186M, PRO186N, PRO198M, PRO198N, PRO199M, PRO199N, PRO207M, PRO207N, PRO38M, PRO38N, PRO51M, PRO51N, PRO52M, PRO52N, SER172M, SER172N, SER196M, SER196N, SER210M, SER210N, SER217M, SER217N, SER316M, SER316N, SER53M, SER53N, THR165M, THR165N, THR41M, THR41N, THR43M, THR43N, THR45M, THR45N, TRP131M, TRP131N, TRP174M, TRP174N, TYR214M, TYR214N, TYR259M, TYR259N, VAL113M, VAL113N, VAL150M, VAL150N, VAL195M, VAL195N, VAL258M, VAL258N, VAL36M, VAL36N, VAL46M, VAL46N
• O-P: ALA136O, ALA136P, ALA173O, ALA173P, ALA183O, ALA183P, ALA256O, ALA256P, ALA317O, ALA317P, ALA47O, ALA47P, ALA50O, ALA50P, ARG155O, ARG155P, ARG167O, ARG167P, ARG168O, ARG168P, ARG216O, ARG216P, ARG29O, ARG29P, ARG37O, ARG37P, ARG40O, ARG40P, ARG55O, ARG55P, ASN104O, ASN104P, ASN163O, ASN163P, ASN175O, ASN175P, ASP151O, ASP151P, ASP166O, ASP166P, ASP178O, ASP178P, ASP219O, ASP219P, ASP255O, ASP255P, ASP39O, ASP39P, CYS187O, CYS187P, CYS191O, CYS191P, CYS211O, CYS211P, CYS218O, CYS218P, GLN130O, GLN130P, GLN152O, GLN152P, GLN192O, GLN192P, GLN215O, GLN215P, GLN252O, GLN252P, GLU137O, GLU137P, GLU248O, GLU248P, GLU35O, GLU35P, GLY135O, GLY135P, GLY149O, GLY149P, GLY254O, GLY254P, GLY42O, GLY42P, GLY44O, GLY44P, HIS133O, HIS133P, HIS247O, HIS247P, HIS257O, HIS257P, ILE169O, ILE169P, ILE170O, ILE170P, ILE250O, ILE250P, LEU171O, LEU171P, LEU179O, LEU179P, LEU184O, LEU184P, LEU197O, LEU197P, LEU209O, LEU209P, LEU212O, LEU212P, LEU251O, LEU251P, LEU48O, LEU48P, LYS177O, LYS177P, LYS208O, LYS208P, MET182O, MET182P, MET189O, MET189P, MET213O, MET213P, MET253O, MET253P, PHE109O, PHE109P, PHE134O, PHE134P, PHE190O, PHE190P, PHE193O, PHE193P, PHE194O, PHE194P, PHE249O, PHE249P, PHE49O, PHE49P, PHE54O, PHE54P, PRO164O, PRO164P, PRO176O, PRO176P, PRO180O, PRO180P, PRO185O, PRO185P, PRO186O, PRO186P, PRO198O, PRO198P, PRO199O, PRO199P, PRO207O, PRO207P, PRO38O, PRO38P, PRO51O, PRO51P, PRO52O, PRO52P, SER172O, SER172P, SER196O, SER196P, SER210O, SER210P, SER217O, SER217P, SER316O, SER316P, SER53O, SER53P, THR165O, THR165P, THR41O, THR41P, THR43O, THR43P, THR45O, THR45P, TRP131O, TRP131P, TRP174O, TRP174P, TYR214O, TYR214P, TYR259O, TYR259P, VAL113O, VAL113P, VAL150O, VAL150P, VAL195O, VAL195P, VAL258O, VAL258P, VAL36O, VAL36P, VAL46O, VAL46P