3KS0

crystal structure of the heme domain of flavocytochrome b2 in complex with fab b2b4

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 187
  • Norm. En. per Res.: -3.0394
• Hub Node: L(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
L-H	-37.9914	-41.4203	-488.947	-568.3588	187	16	17	20019	5	22	17
L-A	-9.9861	1.8622	-76.712	-84.8359	52	4	2	3390	0	7	7
L-J	0.0	0.0	-0.0127	-0.0127	4	0	0	10	0	0	0
L-K	0.0	-2.6486	-43.5227	-46.1713	64	8	0	2815	0	5	8
L-B	0.0	-4.5089	-64.1541	-68.663	38	4	0	2155	0	3	3
H-K	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	2
H-B	0.0	0.0	-90.1743	-90.1743	41	9	2	3352	0	1	2
A-J	0.0	-4.9028	-63.6346	-68.5374	37	5	0	2200	0	3	3
A-K	-16.0553	0.0	-95.8401	-111.8954	41	7	3	3332	0	1	2
J-K	-30.98	-47.1434	-491.951	-570.0744	192	19	18	20249	5	21	19
K-B	-7.6509	0.0	-47.9063	-55.5572	32	2	0	1854	0	3	5

Interface residues

• L-H: ALA129H, ALA133L, ALA172H, ALA177L, ALA212L, ALA35L, ALA57L, ALA91L, ALA96H, ARG217H, ARG38H, ARG56L, ARG97H, ASN131L, ASN172L, ASN33L, ASN35H, ASN36L, ASN43H, ASN54L, ASN60H, ASN96L, ASP105H, ASP141L, ASP43L, ASP94L, CYS137L, CYS144H, CYS90L, CYS95H, GLN109H, GLN166L, GLN170L, GLN175H, GLN1L, GLN39L, GLN6L, GLU126L, GLU127L, GLU129L, GLU163L, GLU1H, GLU40L, GLU46H, GLU64H, GLY100H, GLY101L, GLY102L, GLY103L, GLY108H, GLY110H, GLY131H, GLY143H, GLY161L, GLY166H, GLY42H, GLY48L, GLY49H, GLY51L, GLY52L, GLY59L, HIS168H, HIS44L, HIS97L, ILE139L, ILE214H, ILE37H, ILE50L, ILE87L, LEU120L, LEU128H, LEU128L, LEU135L, LEU142H, LEU145H, LEU174H, LEU181H, LEU181L, LEU183L, LEU209L, LEU45H, LEU45L, LEU49L, LEU98H, LEU98L, LYS132L, LYS147H, LYS169L, LYS174L, LYS212H, LYS213H, LYS39H, LYS44H, LYS55L, MET162L, MET176L, MET48H, PHE100L, PHE104H, PHE121L, PHE142L, PHE170H, PHE40H, PHE46L, PHE89L, PHE94H, PHE99H, PRO122L, PRO123L, PRO127H, PRO130H, PRO167L, PRO171H, PRO211L, PRO41H, PRO58L, PRO61H, SER101H, SER117L, SER124H, SER124L, SER125L, SER168L, SER171L, SER176H, SER178L, SER179L, SER182H, SER183H, SER184H, SER32L, SER62H, SER95L, THR111H, THR112H, THR119L, THR130L, THR134L, THR138L, THR140L, THR141H, THR164L, THR165L, THR169H, THR180H, THR182L, THR184L, THR186H, THR31L, THR47L, THR53L, THR92H, TRP107H, TRP158H, TRP188L, TRP36H, TRP37L, TRP93L, TYR102H, TYR103H, TYR106H, TYR126H, TYR149H, TYR175L, TYR179H, TYR180L, TYR33H, TYR34L, TYR47H, TYR50H, TYR58H, TYR59H, TYR88L, TYR93H, VAL118L, VAL125H, VAL136L, VAL140H, VAL146H, VAL167H, VAL173H, VAL185H, VAL215H, VAL2H, VAL38L, VAL60L, VAL99L
• L-A: ALA187L, ALA60A, ARG190L, ASN53A, ASP154L, ASP48A, CYS94A, GLN160L, GLN47A, GLY155L, GLY161L, GLY45A, GLY46A, HIS191L, HIS43A, HIS66A, ILE50A, ILE61A, LEU135L, LEU181L, LEU183L, LEU209L, LEU65A, LYS152L, LYS51A, LYS56A, MET162L, PHE52A, PHE62A, PRO157L, PRO211L, PRO44A, PRO64A, PRO95A, PRO96A, SER192L, SER193L, SER208L, SER210L, THR156L, THR159L, THR182L, THR184L, TRP151L, TRP188L, TYR194L, TYR97A, VAL153L, VAL158L, VAL49A, VAL58A, VAL93A
• L-J: ASP43J, LEU45J, SER25L, THR26L
• L-K: ALA2L, ALA9L, ARG23L, ASN76K, ASP150L, ASP27K, ASP71L, CYS22K, GLN109K, GLN3K, GLN5K, GLN6L, GLN77K, GLU1K, GLU201L, GLU6K, GLU7L, GLY101L, GLY102L, GLY103L, GLY110K, GLY202L, GLY26K, GLY27L, GLY8K, HIS203L, ILE29K, LEU10L, LEU4K, LYS113L, LYS152L, LYS72L, LYS75K, PHE99K, PRO157L, SER10K, SER23K, SER24L, SER25L, SER28K, SER31K, SER74K, SER7K, SER8L, THR111K, THR11L, THR148L, THR159L, THR199L, THR204L, THR21K, THR21L, THR25K, THR26L, THR30K, THR5L, THR73K, TYR53K, VAL146L, VAL18L, VAL24K, VAL2K, VAL3L, VAL4L
• L-B: ALA35L, ALA60B, ALA67B, ASN30B, ASN33L, ASN36L, ASN69B, ASN96L, ASP72B, ASP94L, GLU63B, GLY31B, GLY52L, HIS66B, HIS97L, ILE29B, ILE71B, LEU92L, LEU98L, LYS55L, LYS73B, LYS80B, MET6B, PHE62B, PRO64B, PRO68B, PRO96B, SER32L, SER95L, THR30L, THR31L, THR53L, THR59B, TRP93L, TYR32B, TYR34B, TYR34L, VAL70B
• H-K: ASN43H, GLU1K
• H-B: ALA60B, ALA67B, ARG97H, ASN35H, ASN69B, GLU63B, GLY100H, GLY32H, GLY45B, GLY54H, HIS43B, HIS66B, ILE29B, ILE61B, ILE71B, LEU65B, LEU98H, LYS73B, PHE62B, PHE99H, PRO44B, PRO64B, PRO68B, PRO96B, SER101H, SER31H, SER52H, SER56H, THR30H, THR57H, THR59B, TYR102H, TYR103H, TYR33H, TYR47H, TYR50H, TYR53H, TYR58H, TYR59H, TYR74B, VAL70B
• A-J: ALA35J, ALA60A, ALA67A, ASN30A, ASN33J, ASN36J, ASN69A, ASN96J, ASP72A, ASP94J, GLU63A, GLY31A, GLY52J, HIS66A, HIS97J, ILE29A, ILE71A, LEU92J, LEU98J, LYS55J, LYS73A, LYS80A, PHE62A, PRO64A, PRO68A, PRO96A, SER32J, SER95J, THR30J, THR31J, THR53J, THR59A, TRP93J, TYR32A, TYR34A, TYR34J, VAL70A
• A-K: ALA60A, ALA67A, ARG97K, ASN30A, ASN35K, ASN69A, GLU63A, GLY100K, GLY32K, GLY45A, GLY49K, GLY54K, HIS43A, HIS66A, ILE29A, ILE61A, LEU65A, LEU98K, LYS73A, PHE62A, PHE99K, PRO44A, PRO64A, PRO68A, PRO96A, SER101K, SER31K, SER52K, SER56K, THR57K, THR59A, TYR102K, TYR103K, TYR33K, TYR47K, TYR50K, TYR53K, TYR58K, TYR59K, TYR74A, VAL70A
• J-K: ALA129K, ALA133J, ALA172K, ALA177J, ALA212J, ALA35J, ALA57J, ALA91J, ALA91K, ALA96K, ARG217K, ARG38K, ARG56J, ARG97K, ASN131J, ASN172J, ASN33J, ASN35K, ASN36J, ASN43K, ASN54J, ASN60K, ASN96J, ASP105K, ASP141J, ASP218K, ASP43J, ASP94J, CYS137J, CYS144K, CYS219K, CYS90J, CYS95K, GLN109K, GLN166J, GLN170J, GLN175K, GLN1J, GLN39J, GLU126J, GLU127J, GLU129J, GLU163J, GLU189J, GLU40J, GLU46K, GLU64K, GLY100K, GLY101J, GLY102J, GLY103J, GLY108K, GLY110K, GLY131K, GLY143K, GLY161J, GLY166K, GLY220K, GLY42K, GLY48J, GLY49K, GLY51J, GLY52J, HIS168K, HIS44J, HIS97J, ILE139J, ILE214K, ILE37K, ILE50J, ILE87J, LEU113K, LEU120J, LEU128J, LEU128K, LEU135J, LEU142K, LEU145K, LEU174K, LEU178K, LEU181J, LEU181K, LEU183J, LEU209J, LEU45J, LEU45K, LEU49J, LEU98J, LEU98K, LYS105J, LYS132J, LYS147K, LYS169J, LYS174J, LYS212K, LYS213K, LYS39K, LYS41J, LYS44K, LYS55J, MET162J, MET176J, MET48K, PHE100J, PHE104K, PHE121J, PHE142J, PHE170K, PHE40K, PHE46J, PHE89J, PHE94K, PHE99K, PRO122J, PRO123J, PRO127K, PRO130K, PRO167J, PRO171K, PRO211J, PRO216K, PRO41K, PRO42J, PRO58J, PRO61K, SER101K, SER117J, SER124J, SER124K, SER125J, SER168J, SER171J, SER176K, SER178J, SER179J, SER182K, SER183K, SER184K, SER62K, SER95J, THR111K, THR112K, THR119J, THR130J, THR134J, THR138J, THR140J, THR141K, THR164J, THR165J, THR169K, THR180K, THR182J, THR184J, THR186K, THR31J, THR47J, THR53J, THR92K, TRP107K, TRP158K, TRP188J, TRP192K, TRP36K, TRP37J, TRP93J, TYR102K, TYR103K, TYR106K, TYR126K, TYR175J, TYR180J, TYR33K, TYR34J, TYR47K, TYR50K, TYR58K, TYR59K, TYR93K, VAL118J, VAL125K, VAL136J, VAL140K, VAL146K, VAL167K, VAL173K, VAL185K, VAL215K, VAL2K, VAL38J, VAL60J, VAL99J
• K-B: ALA202K, ASN159K, ASN200K, ASN7B, ASP211K, CYS199K, GLN85B, GLN9B, GLU78B, GLY161K, HIS203K, ILE11B, LEU81B, LYS10B, LYS209K, LYS8B, MET6B, PRO153K, PRO204K, PRO83B, SER160K, SER162K, SER164K, SER207K, THR155K, THR157K, THR169K, TRP158K, VAL154K, VAL156K, VAL201K, VAL210K