2GK0

structure of catalytic elimination antibody 13g5 from a twinned crystal in space group c2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 193
  • Norm. En. per Res.: -2.4873
• Hub Node: L(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
L-H	-12.6533	-19.0541	-448.342	-480.0494	193	47	9	19135	1	16	15
L-A	-7.4578	12.4056	-65.8437	-60.8959	37	4	0	2653	0	18	15
L-B	0.0	3.5926	-33.1601	-29.5675	41	3	0	2006	0	9	8
H-A	0.0	0.0	-0.0368	-0.0368	2	0	0	12	0	1	0
A-B	-18.1746	-13.7263	-411.266	-443.1669	182	39	8	17119	1	15	17

Interface residues

• L-H: ALA125H, ALA130L, ALA176H, ALA62H, ALA93H, ARG228H, ARG38H, ARG54L, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN212L, ASN28L, ASN30L, ASN53L, ASN58H, ASN60H, ASP101H, ASP130H, ASP165L, ASP167L, ASP170L, ASP35H, CYS128H, CYS134L, CYS142H, CYS88L, GLN105H, GLN124L, GLN179H, GLN38L, GLN39H, GLN42L, GLU123L, GLU1L, GLU226H, GLU34L, GLU46H, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY127H, GLY128L, GLY129H, GLY129L, GLY141H, GLY158L, GLY41L, GLY42H, GLY44H, GLY49H, GLY91L, GLY97H, GLY98H, GLY99L, HIS102H, HIS172H, HIS27L, HIS93L, HIS95H, ILE100H, ILE117L, ILE48L, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU177H, LEU178H, LEU179L, LEU181L, LEU184H, LEU223H, LEU2L, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LEU63H, LEU94L, LYS103L, LYS142L, LYS145H, LYS207L, LYS221H, LYS222H, LYS39L, LYS43H, LYS45L, LYS50L, LYS94H, MET100H, MET175L, MET187H, MET64H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE55L, PHE89L, PHE98L, PRO100H, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO227H, PRO40H, PRO40L, PRO44L, PRO95L, PRO96L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER137H, SER162L, SER169H, SER174L, SER176L, SER177L, SER180H, SER188H, SER189H, SER190H, SER208L, SER27L, SER43L, SER56L, SER61H, SER92L, THR114L, THR126L, THR133H, THR134H, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR57H, THR97L, TRP103H, TRP157H, TRP163L, TRP199H, TRP35L, TRP36H, TRP47H, TRP52H, TRP96H, TYR100H, TYR122H, TYR173L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR99H, VAL115L, VAL121H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL191H, VAL37H, VAL48H, VAL50H, VAL85L, VAL89H
• L-A: ARG155A, ARG188L, ARG211L, ASN145A, ASN157A, ASN157L, ASN161A, ASN190L, ASN210L, ASN212L, ASP143A, ASP151L, ASP184L, GLN156A, GLU185L, GLU187L, GLY158A, HIS189L, ILE144A, LEU160A, LEU179A, LEU9A, LYS142A, LYS183L, LYS199A, MET175A, PHE139A, PRO141A, SER162A, SER191L, THR164A, THR178A, TRP163A, TYR173A, TYR186L, VAL146A, VAL159A
• L-B: ALA176B, ARG155L, ARG188L, ARG211L, ASN145L, ASN157L, ASN190L, ASN210L, ASN212L, ASP151L, ASP85B, ASP86B, GLN156L, GLN179B, GLN83B, GLU154L, GLU195L, GLY152L, GLY42B, HIS189L, ILE150L, LEU177B, LEU178B, LYS147L, LYS149L, LYS43B, PRO14B, PRO175B, PRO204L, PRO40B, PRO41B, SER112B, SER153L, SER180B, SER191L, SER208L, THR193L, THR197L, THR84B, THR87B, TYR185B
• H-A: ARG228H, GLN156A
• A-B: ALA125B, ALA130A, ALA176B, ALA62B, ALA93B, ARG211A, ARG228B, ARG38B, ARG54A, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN30A, ASN53A, ASN58B, ASN60B, ASP101B, ASP130B, ASP165A, ASP167A, ASP170A, ASP35B, CYS128B, CYS134A, CYS142B, CYS88A, CYS92B, GLN105B, GLN124A, GLN179B, GLN38A, GLN39B, GLN42A, GLN90A, GLU123A, GLU1A, GLU226B, GLU34A, GLU46B, GLU6B, GLY100A, GLY100B, GLY101A, GLY104B, GLY106B, GLY127B, GLY128A, GLY129A, GLY129B, GLY141B, GLY158A, GLY41A, GLY42B, GLY44B, GLY49B, GLY91A, GLY97B, GLY99A, HIS102B, HIS172B, HIS95B, ILE117A, ILE48A, LEU124B, LEU125A, LEU136A, LEU140B, LEU143B, LEU160A, LEU177B, LEU178B, LEU181A, LEU184B, LEU223B, LEU33A, LEU37A, LEU45B, LEU46A, LEU47A, LEU94A, LYS103A, LYS145B, LYS169A, LYS207A, LYS221B, LYS222B, LYS39A, LYS43B, LYS45A, LYS50A, LYS94B, MET100B, MET175A, MET187B, MET64B, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE55A, PHE89A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO40A, PRO40B, PRO44A, PRO95A, PRO96A, SER116A, SER120B, SER121A, SER122A, SER127A, SER131A, SER137B, SER162A, SER167B, SER169B, SER174A, SER176A, SER177A, SER180B, SER188B, SER189B, SER190B, SER208A, SER43A, SER56A, SER61B, THR114A, THR126A, THR133B, THR134B, THR139B, THR164A, THR172A, THR173B, THR178A, THR180A, THR186B, THR192B, THR57B, THR97A, TRP103B, TRP157B, TRP163A, TRP35A, TRP36B, TRP47B, TRP52B, TRP96B, TYR100B, TYR122B, TYR173A, TYR186A, TYR32A, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR91B, VAL115A, VAL121B, VAL132A, VAL133A, VAL138B, VAL159A, VAL171B, VAL191B, VAL37B, VAL48B, VAL50B, VAL85A, VAL89B