2FJH

structure of the b20-4 fab, a phage derived fab fragment, in complex with vegf

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: V-H
  • Int. Res.: 54
  • Norm. En. per Res.: -3.1407
• 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
V-L	-19.5711	18.809	-77.9927	-78.7548	48	7	0	2995	0	5	10
V-H	-7.6652	-7.0584	-154.874	-169.5976	54	4	1	5056	0	6	8
L-H	-8.1891	-23.5065	323.001	291.3054	189	23	14	17621	1	19	16
L-W	0.0	7.6514	-17.9822	-10.3308	22	0	0	1059	0	9	12
L-A	0.0	0.0	-18.8933	-18.8933	37	2	0	1204	0	6	5
H-W	0.0	0.0	-0.0215	-0.0215	3	0	0	5	0	1	0
W-A	-20.545	26.4582	-61.3173	-55.4041	40	6	0	2858	0	5	9
W-B	0.0	-4.0571	-120.933	-124.9901	50	3	1	4301	0	6	8
A-B	-14.4396	-25.5952	-422.458	-462.4927	186	15	13	17233	1	17	15

Interface residues

• V-L: ALA50L, ALA51L, ALA55L, ARG23V, ARG30L, ARG31L, ASN100V, ASN53L, ASN92L, ASP19V, ASP1L, CYS102V, CYS26V, GLN22V, GLN27L, GLN90L, GLU103V, GLU13V, GLU72V, GLY64L, HIS27V, ILE29L, ILE29V, ILE2L, ILE48L, LEU33L, LEU54L, LEU96L, LYS101V, LYS16V, MET18V, MET55V, PHE17V, PRO28V, PRO95L, SER24V, SER32L, SER52L, SER67L, SER91L, SER94L, THR71V, THR93L, TYR25V, TYR49L, VAL15V, VAL20V, VAL28L
• V-H: ALA107H, ALA31H, ALA50H, ALA61H, ARG105V, ARG23V, ASN59H, ASN62V, ASP19V, ASP62H, ASP63V, CYS102V, CYS104V, CYS26V, CYS60V, CYS61V, GLN22V, GLU103V, GLY100H, GLY49H, HIS101H, HIS27V, HIS35H, ILE34H, ILE51H, LEU66V, LYS16V, LYS65H, MET108H, MET18V, PHE17V, PRO105H, PRO106V, PRO28V, SER102H, SER104H, SER24V, SER32H, SER55H, THR103H, THR58H, TRP106H, TRP33H, TRP36H, TRP47H, TRP99H, TYR21V, TYR25V, TYR52H, TYR54H, TYR57H, TYR60H, VAL15V, VAL20V
• L-H: ALA107H, ALA130L, ALA133H, ALA144H, ALA145H, ALA176H, ALA34L, ALA43L, ALA50H, ALA50L, ALA51L, ALA55L, ALA61H, ALA97H, ARG31L, ARG38H, ARG98H, ASN137L, ASN138L, ASN158L, ASN53L, ASN59H, ASN92L, ASP109H, ASP122L, ASP152H, ASP167L, ASP170L, ASP1L, ASP62H, CYS134L, CYS148H, CYS214L, CYS224H, CYS88L, CYS96H, GLN100L, GLN113H, GLN124L, GLN160L, GLN166L, GLN179H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU213L, GLU46H, GLU6H, GLY101L, GLY112H, GLY114H, GLY128L, GLY147H, GLY157L, GLY170H, GLY212L, GLY41L, GLY42H, GLY44H, GLY49H, GLY99L, HIS101H, HIS172H, HIS35H, ILE117L, ILE48L, LEU125L, LEU132H, LEU135L, LEU136L, LEU146H, LEU149H, LEU175L, LEU178H, LEU179L, LEU181L, LEU183H, LEU186H, LEU33L, LEU45H, LEU46L, LEU47L, LEU54L, LEU96L, LYS126L, LYS151H, LYS207L, LYS217H, LYS222H, LYS39L, LYS42L, LYS43H, LYS45L, MET108H, PHE116L, PHE118L, PHE130H, PHE139L, PHE174H, PHE209L, PHE98L, PRO105H, PRO119L, PRO120L, PRO131H, PRO134H, PRO175H, PRO40L, PRO44L, PRO95L, SER102H, SER104H, SER114L, SER121L, SER127L, SER128H, SER131L, SER135H, SER136H, SER162L, SER168L, SER174L, SER176L, SER177L, SER180H, SER181H, SER185H, SER187H, SER188H, SER208L, SER223H, SER32L, SER52L, SER56L, SER63H, SER91L, SER94L, THR103H, THR129L, THR143H, THR164L, THR172L, THR173H, THR178L, THR180L, THR191H, THR85L, THR93L, THR97L, TRP106H, TRP111H, TRP33H, TRP35L, TRP36H, TRP47H, TRP99H, TYR110H, TYR173L, TYR184H, TYR36L, TYR49L, TYR57H, TYR60H, TYR86L, TYR87L, TYR95H, VAL115L, VAL129H, VAL132L, VAL133L, VAL150H, VAL163L, VAL171H, VAL177H, VAL189H, VAL190H, VAL192H, VAL215H, VAL219H, VAL37H, VAL48H, VAL58L, VAL93H
• L-W: ALA184L, ARG211L, ASN100W, ASN210L, ASN75W, CYS214L, GLN98W, GLU187L, GLU213L, GLU72W, GLU73W, GLY212L, HIS189L, ILE76W, LYS101W, LYS183L, LYS188L, LYS190L, SER74W, SER95W, THR71W, THR77W
• L-A: ALA153L, ALA193L, ALA55A, ARG18A, ARG61A, ASN152L, ASN210L, ASN53A, ASP151L, CYS214L, GLN79A, GLU195L, GLU213L, GLY16A, GLY64A, LEU54A, LYS149L, LYS190L, LYS207L, PHE209L, PHE62A, PRO204L, PRO59A, SER203L, SER208L, SER52A, SER60A, SER63A, SER65A, SER76A, SER77A, THR206L, THR20A, THR74A, VAL15A, VAL191L, VAL205L
• H-W: ARG105W, CYS224H, THR71W
• W-A: ALA50A, ARG23W, ARG30A, ARG31A, ASN100W, ASN53A, ASN92A, ASP19W, CYS102W, GLN22W, GLN27A, GLN90A, GLU103W, GLU30W, GLU72W, HIS27W, ILE29A, ILE29W, ILE2A, LEU54A, LEU96A, LYS101W, LYS16W, MET18W, MET55W, PRO28W, PRO95A, SER24W, SER32A, SER52A, SER67A, SER91A, SER94A, THR71W, THR93A, TYR25W, TYR49A, VAL15W, VAL20W, VAL28A
• W-B: ALA107B, ALA31B, ALA50B, ALA61B, ARG23W, ASN59B, ASN62W, ASP19W, ASP62B, ASP63W, CYS102W, CYS104W, CYS26W, CYS61W, GLN22W, GLU103W, GLY100B, GLY49B, GLY56B, HIS101B, HIS27W, HIS35B, ILE51B, LEU66W, LYS101W, LYS16W, LYS65B, MET18W, PHE17W, PRO105B, PRO28W, SER102B, SER104B, SER24W, SER32B, SER55B, THR103B, THR58B, TRP106B, TRP33B, TRP47B, TRP99B, TYR21W, TYR25W, TYR52B, TYR54B, TYR57B, TYR60B, VAL15W, VAL20W
• A-B: ALA107B, ALA130A, ALA133B, ALA144B, ALA145B, ALA176B, ALA34A, ALA43A, ALA50A, ALA50B, ALA51A, ALA55A, ALA61B, ALA97B, ARG31A, ARG38B, ARG98B, ASN137A, ASN138A, ASN53A, ASN59B, ASN92A, ASP109B, ASP122A, ASP152B, ASP167A, ASP170A, ASP1A, ASP62B, CYS134A, CYS148B, CYS88A, CYS96B, GLN100A, GLN113B, GLN124A, GLN160A, GLN166A, GLN179B, GLN37A, GLN38A, GLN39B, GLN6A, GLN89A, GLN90A, GLU123A, GLU161A, GLU165A, GLU46B, GLU6B, GLY100B, GLY101A, GLY112B, GLY114B, GLY142B, GLY147B, GLY170B, GLY182B, GLY41A, GLY42B, GLY44B, GLY49B, GLY99A, HIS101B, HIS172B, HIS35B, ILE117A, ILE48A, LEU125A, LEU132B, LEU135A, LEU136A, LEU146B, LEU149B, LEU175A, LEU178B, LEU179A, LEU181A, LEU183B, LEU186B, LEU33A, LEU45B, LEU46A, LEU47A, LEU54A, LEU96A, LYS103A, LYS126A, LYS151B, LYS169A, LYS207A, LYS217B, LYS222B, LYS39A, LYS42A, LYS43B, LYS45A, LYS65B, MET108B, PHE116A, PHE118A, PHE130B, PHE139A, PHE174B, PHE209A, PHE98A, PRO105B, PRO119A, PRO120A, PRO131B, PRO134B, PRO175B, PRO40A, PRO44A, PRO95A, SER102B, SER104B, SER114A, SER121A, SER127A, SER128B, SER131A, SER135B, SER159A, SER162A, SER168A, SER169B, SER174A, SER176A, SER177A, SER180B, SER181B, SER185B, SER187B, SER188B, SER194B, SER32A, SER52A, SER56A, SER63B, SER91A, SER94A, THR103B, THR129A, THR143B, THR164A, THR168B, THR172A, THR173B, THR178A, THR180A, THR191B, THR85A, THR93A, THR97A, TRP106B, TRP111B, TRP35A, TRP36B, TRP47B, TRP99B, TYR110B, TYR173A, TYR184B, TYR36A, TYR49A, TYR57B, TYR60B, TYR86A, TYR87A, TYR94B, TYR95B, VAL115A, VAL129B, VAL132A, VAL133A, VAL163A, VAL171B, VAL177B, VAL189B, VAL190B, VAL192B, VAL219B, VAL37B, VAL48B, VAL93B