3QWO

crystal structure of a motavizumab epitope-scaffold bound to motavizumab fab

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 30
  • Norm. En. per Res.: -4.0106
• Hub Node: L(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
L-H	-36.8768	-16.0497	-511.831	-564.7575	198	2	14	19573	1	20	18
L-B	0.0	-4.889	-3.7574	-8.6464	19	0	0	356	0	3	6
L-A	0.0	1.3855	-16.543	-15.1575	32	0	0	1294	0	2	2
L-P	-30.9086	-16.716	-72.6936	-120.3182	30	4	0	2374	2	5	5
H-B	0.0	0.0	-5.395	-5.395	19	0	0	433	0	0	0
H-A	0.0	0.0	-21.1587	-21.1587	28	0	0	1590	0	2	2
H-P	-12.4864	0.3052	-164.878	-177.0593	52	5	3	6340	0	12	11
B-A	-27.4238	-16.9474	-510.224	-554.5952	199	6	15	19624	2	21	18
B-C	-23.9117	-19.6719	-69.5824	-113.166	30	3	0	2238	2	5	4
A-C	-8.9079	-0.2461	-171.759	-180.913	53	2	3	6382	0	12	11
A-P	-20.3649	4.3658	-55.8842	-71.8832	33	4	0	1990	0	7	6

Interface residues

• L-H: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA43L, ALA44H, ALA49H, ALA55L, ALA93H, ARG142L, ARG38H, ARG94H, ASN137L, ASN138L, ASN158L, ASN210L, ASN60H, ASN99H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP50H, ASP50L, ASP95H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN3L, GLN6L, GLN90L, GLU123L, GLU161L, GLU165L, GLU46H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY133H, GLY139H, GLY157L, GLY162H, GLY174H, GLY35H, GLY41L, GLY42H, GLY91L, GLY93L, GLY99L, HIS164H, HIS34L, HIS58H, ILE117L, ILE37H, ILE48L, ILE51H, ILE97H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU45H, LEU46L, LEU47L, LEU48H, LEU63H, LYS103L, LYS126L, LYS129H, LYS143H, LYS169L, LYS207L, LYS209H, LYS210H, LYS39L, LYS42L, LYS43H, LYS45L, LYS53L, LYS56H, LYS57H, MET33L, MET96H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE89L, PHE96L, PHE98H, PHE98L, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO61H, PRO95L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER130H, SER131L, SER132H, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER182L, SER208L, SER35H, SER56L, SER62H, SER92L, THR129L, THR131H, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR206L, THR51L, THR85L, THR89H, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP52H, TYR100H, TYR173L, TYR176H, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR94L, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL35H
• L-B: ALA184B, ARG61L, ASN138L, ASN158B, ASP170L, ASP185B, ASP81L, GLN160B, GLN79L, GLY157B, LEU181B, LYS169L, LYS188B, PRO59L, PRO80L, SER156B, SER182B, SER60L, VAL15L
• L-A: ALA114A, ALA55L, ALA85A, ARG61L, ASP50L, ASP81L, ASP83A, GLN171A, GLN79L, GLY174A, GLY57L, LEU170A, LEU175A, LEU46L, LEU54L, LYS39L, LYS45L, LYS53L, PHE146A, PRO14A, PRO59L, PRO84A, SER112A, SER113A, SER115A, SER172A, SER173A, SER56L, SER60L, TYR49L, VAL111A, VAL58L
• L-P: ARG29L, ASN11P, ASN32P, ASN3P, ASP4P, ASP50L, GLN90L, GLU5P, GLY31L, GLY91L, GLY93L, HIS34L, ILE2L, LEU8P, LYS53L, LYS6P, LYS7P, MET33L, PHE89L, PHE96L, PRO95L, SER1P, SER27L, SER92L, THR51L, TYR2P, TYR32L, TYR49L, TYR94L, VAL30L
• H-B: ALA158H, ALA184B, ASP185B, GLN192H, GLU187B, GLY128B, GLY133H, GLY134H, GLY162H, LEU159H, LYS183B, LYS188B, PRO185H, SER161H, SER182B, THR135H, THR160H, THR183H, VAL184H
• H-A: ALA114A, ALA32H, ARG94H, ASN82A, ASN99H, ASP101H, ASP83A, GLN16A, GLN1H, GLY26H, GLY33H, ILE97H, LYS117A, LYS13A, MET34H, MET96H, PHE27H, PHE98H, PRO14A, PRO84A, SER113A, SER115A, THR116A, THR15A, THR31H, TYR100H, VAL102H, VAL2H
• H-P: ALA14P, ALA26P, ALA32H, ALA9P, ARG24P, ASN11P, ASN15P, ASN20P, ASN32P, ASN3P, ASN99H, ASP33P, ASP34P, ASP4P, ASP50H, ASP54H, ASP55H, ASP95H, GLN23P, GLU12P, GLU21P, GLU22P, GLU5P, GLY33H, HIS58H, ILE13P, ILE31P, ILE51H, ILE97H, LEU28P, LEU8P, LYS56H, LYS57H, LYS6P, LYS7P, MET34H, MET96H, PHE100H, PHE27P, PHE98H, PRO35P, SER10P, SER25P, SER29P, SER30H, SER30P, SER35H, THR31H, TRP52H, TRP53H, TYR100H, TYR2P
• B-A: ALA125A, ALA130B, ALA136A, ALA137A, ALA168A, ALA43B, ALA44A, ALA49A, ALA55B, ALA93A, ARG142B, ARG38A, ARG94A, ASN137B, ASN138B, ASN158B, ASN210B, ASN60A, ASN99A, ASP101A, ASP122B, ASP144A, ASP167B, ASP170B, ASP1B, ASP50A, ASP50B, ASP95A, CYS134B, CYS140A, CYS88B, CYS92A, GLN105A, GLN124B, GLN160B, GLN166B, GLN171A, GLN37B, GLN38B, GLN39A, GLN3B, GLN6B, GLN90B, GLU123B, GLU161B, GLU165B, GLU46A, GLU6A, GLY100B, GLY101B, GLY104A, GLY106A, GLY128B, GLY133A, GLY139A, GLY157B, GLY162A, GLY174A, GLY35A, GLY41B, GLY42A, GLY91B, GLY93B, GLY99B, HIS164A, HIS34B, HIS58A, ILE117B, ILE37A, ILE48B, ILE51A, ILE97A, LEU124A, LEU125B, LEU135B, LEU136B, LEU138A, LEU141A, LEU170A, LEU175A, LEU175B, LEU178A, LEU179B, LEU181B, LEU45A, LEU46B, LEU47B, LEU48A, LEU63A, LYS103B, LYS126B, LYS129A, LYS143A, LYS169B, LYS207B, LYS209A, LYS210A, LYS39B, LYS42B, LYS43A, LYS45B, LYS53B, LYS56A, LYS57A, MET33B, MET96A, PHE100A, PHE116B, PHE118B, PHE122A, PHE139B, PHE166A, PHE209B, PHE89B, PHE96B, PHE98A, PHE98B, PRO113B, PRO119B, PRO120B, PRO123A, PRO126A, PRO167A, PRO40B, PRO44B, PRO61A, PRO95B, SER114B, SER120A, SER121B, SER127A, SER127B, SER128A, SER130A, SER131B, SER132A, SER159B, SER161A, SER162B, SER168B, SER172A, SER173A, SER174B, SER176B, SER177A, SER177B, SER179A, SER180A, SER182B, SER208B, SER35A, SER56B, SER62A, SER92B, THR129B, THR131A, THR135A, THR160A, THR164B, THR165A, THR172B, THR178B, THR180B, THR183A, THR206B, THR51B, THR85B, THR89A, THR97B, TRP103A, TRP35B, TRP36A, TRP47A, TRP52A, TYR100A, TYR173B, TYR176A, TYR32B, TYR36B, TYR49B, TYR59A, TYR86B, TYR87B, TYR91A, TYR94B, VAL102A, VAL115B, VAL121A, VAL132B, VAL133B, VAL142A, VAL163A, VAL163B, VAL169A, VAL181A, VAL182A, VAL184A, VAL211A, VAL35A
• B-C: ARG29B, ASN14C, ASN35C, ASN6C, ASP50B, ASP7C, GLN90B, GLU8C, GLY31B, GLY91B, GLY93B, HIS34B, ILE2B, LEU11C, LYS10C, LYS53B, LYS9C, MET33B, PHE89B, PHE96B, PRO95B, SER27B, SER4C, SER92B, THR51B, TYR32B, TYR49B, TYR5C, TYR94B, VAL30B
• A-C: ALA12C, ALA17C, ALA29C, ALA32A, ARG27C, ASN14C, ASN18C, ASN23C, ASN35C, ASN6C, ASN99A, ASP36C, ASP37C, ASP50A, ASP54A, ASP55A, ASP7C, ASP95A, GLN26C, GLU15C, GLU24C, GLU25C, GLU8C, GLY33A, HIS58A, ILE16C, ILE34C, ILE51A, ILE97A, LEU11C, LEU31C, LYS10C, LYS56A, LYS57A, LYS9C, MET34A, MET96A, PHE100A, PHE30C, PHE98A, PRO38C, SER13C, SER28A, SER28C, SER30A, SER32C, SER33C, SER35A, THR31A, TRP52A, TRP53A, TYR100A, TYR5C
• A-P: ALA14P, ALA53P, ALA9P, ARG24P, ARG66A, ASN11P, ASN15P, ASN18P, ASN49P, ASN82A, ASP65A, ASP83A, GLN16A, GLU12P, ILE13P, LEU16P, LEU19P, LEU63A, LEU67A, LEU8P, LYS46P, LYS57A, LYS64A, LYS7P, LYS81A, MET82A, PRO17P, SER10P, THR15A, THR17A, THR68A, THR82A, VAL82A