3AAZ

crystal structure of the humanized recombinant fab fragment of a murine; antibody

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 219
  • Norm. En. per Res.: -2.6752
• 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	-50.8411	-18.0633	99.5616	30.6573	222	15	12	21503	1	33	29
A-H	0.0	0.0	-112.909	-112.909	64	1	0	5025	0	6	3
A-L	-4.902	-2.5642	-14.3877	-21.854	30	1	0	898	0	4	5
B-H	-5.8115	-4.995	-14.6803	-25.4867	26	2	0	946	0	4	5
B-L	0.0	34.9405	-55.4399	-20.4994	47	3	2	3079	0	4	4
H-L	-35.0059	-30.2746	-520.588	-585.8685	219	11	12	21437	3	33	30

Interface residues

• A-B: ALA135B, ALA137A, ALA148A, ALA149A, ALA180A, ALA198B, ALA220B, ALA221B, ALA222B, ALA46A, ALA51A, ALA96B, ALA98A, ARG100A, ARG40A, ARG50B, ARG60A, ARG99A, ASN110A, ASN142B, ASN143B, ASN163B, ASN215B, ASN33B, ASN62A, ASP113A, ASP127B, ASP156A, ASP172B, ASP175B, ASP1B, ASP223B, ASP226B, ASP227B, ASP228B, CYS139B, CYS152A, CYS219B, CYS228A, CYS93B, CYS97A, GLN105B, GLN117A, GLN129B, GLN165B, GLN171B, GLN183A, GLN41A, GLN43B, GLN47B, GLN55B, GLN6B, GLN95B, GLU108A, GLU128B, GLU166B, GLU170B, GLU218B, GLU39B, GLU48A, GLU6A, GLY101A, GLY104B, GLY106B, GLY116A, GLY118A, GLY133B, GLY145A, GLY146A, GLY151A, GLY174A, GLY202A, GLY217B, GLY44A, GLY46B, HIS111A, HIS176A, HIS31B, HIS35B, HIS52A, ILE122B, ILE2B, ILE39A, ILE53B, LEU101B, LEU130B, LEU136A, LEU140B, LEU141B, LEU150A, LEU153A, LEU180B, LEU182A, LEU184B, LEU186B, LEU187A, LEU190A, LEU201A, LEU38B, LEU42B, LEU47A, LEU4A, LEU50A, LEU51B, LEU65A, LEU98B, LEU9B, LYS108B, LYS131B, LYS141A, LYS155A, LYS174B, LYS212B, LYS221A, LYS225B, LYS226A, LYS44B, LYS45A, LYS59A, PHE102A, PHE103B, PHE112A, PHE121B, PHE123B, PHE134A, PHE144B, PHE178A, PHE214B, PHE60B, PHE94B, PRO100B, PRO118B, PRO124B, PRO125B, PRO135A, PRO138A, PRO179A, PRO225A, PRO43A, PRO45B, PRO49B, PRO63A, SER119B, SER126B, SER132A, SER132B, SER136B, SER139A, SER140A, SER142A, SER144A, SER164B, SER167B, SER173A, SER173B, SER179B, SER181B, SER182B, SER184A, SER185A, SER189A, SER191A, SER192A, SER198A, SER213B, SER227A, SER37A, SER48B, SER61B, SER64A, SER97B, THR102B, THR134B, THR143A, THR147A, THR169B, THR172A, THR177A, THR177B, THR183B, THR185B, THR195A, THR211B, THR36B, THR58B, THR94A, TRP115A, TRP38A, TRP49A, TYR103A, TYR107A, TYR114A, TYR178B, TYR188A, TYR197B, TYR224B, TYR37B, TYR41B, TYR54A, TYR54B, TYR61A, TYR91B, TYR92B, TYR96A, VAL109A, VAL120B, VAL133A, VAL137B, VAL138B, VAL154A, VAL168B, VAL175A, VAL181A, VAL193A, VAL194A, VAL196A, VAL196B, VAL210B, VAL219A, VAL223A, VAL90B, VAL99B
• A-H: ALA126A, ALA126H, ALA180A, ALA180H, ARG40A, ARG40H, ASN86A, ASN86H, ASP88A, ASP88H, ASP91A, GLN16A, GLN16H, GLN183A, GLN183H, GLU48A, GLU48H, GLY186A, GLY186H, GLY44A, GLY44H, LEU182A, LEU182H, LEU187A, LEU187H, LYS13A, LYS13H, LYS45A, LYS45H, MET87A, MET87H, PHE158A, PHE158H, PRO14A, PRO14H, PRO42A, PRO42H, PRO43A, PRO43H, PRO89A, PRO89H, SER124A, SER124H, SER125A, SER125H, SER184A, SER184H, SER185A, SER185H, SER189A, THR15A, THR15H, THR92A, THR92H, TYR188A, TYR188H, VAL123A, VAL123H, VAL12A, VAL12H, VAL181A, VAL181H, VAL90A, VAL90H
• A-L: ALA149L, ARG147L, ARG68A, ASN163L, ASN86A, GLN165L, GLN16A, GLU148L, GLU166L, GLY162L, LEU9L, LYS150L, LYS66A, MET87A, PRO14A, PRO63A, SER10L, SER161L, SER164L, SER167L, SER182L, SER64A, SER67A, THR15A, THR17A, THR183L, THR185L, THR83A, THR85A, VAL168L
• B-H: ALA149B, ARG147B, ARG68H, ASN163B, ASN86H, GLN165B, GLN16H, GLU148B, GLU166B, GLY162B, LYS150B, LYS66H, PRO14H, PRO63H, SER10B, SER161B, SER164B, SER167B, SER182B, SER64H, SER67H, THR15H, THR17H, THR183B, THR185B, THR85H
• B-L: ARG24B, ARG24L, ASP1B, ASP1L, ASP75B, ASP75L, GLN105B, GLN105L, GLN27B, GLN27L, GLN6B, GLN6L, GLY106B, GLY106L, ILE2B, ILE2L, LEU11L, LEU9B, LEU9L, MET4B, MET4L, PRO100B, PRO100L, PRO12B, PRO12L, PRO8B, PRO8L, SER10B, SER10L, SER22B, SER22L, SER25B, SER25L, SER26B, SER26L, SER7B, SER7L, THR102B, THR102L, THR107B, THR107L, THR5B, THR5L, THR74B, THR74L, VAL3B, VAL3L
• H-L: ALA135L, ALA137H, ALA148H, ALA149H, ALA180H, ALA198L, ALA220L, ALA221L, ALA222L, ALA46H, ALA51H, ALA96L, ALA98H, ARG100H, ARG40H, ARG50L, ARG60H, ARG99H, ASN110H, ASN142L, ASN143L, ASN163L, ASN215L, ASN33L, ASN62H, ASP113H, ASP127L, ASP156H, ASP172L, ASP175L, ASP1L, ASP223L, ASP226L, ASP227L, ASP228L, CYS139L, CYS152H, CYS219L, CYS228H, CYS93L, CYS97H, GLN105L, GLN117H, GLN129L, GLN165L, GLN171L, GLN183H, GLN41H, GLN43L, GLN47L, GLN55L, GLN6L, GLN95L, GLU108H, GLU128L, GLU166L, GLU170L, GLU218L, GLU39L, GLU48H, GLU6H, GLY101H, GLY104L, GLY106L, GLY116H, GLY118H, GLY133L, GLY145H, GLY146H, GLY151H, GLY174H, GLY217L, GLY229H, GLY44H, GLY46L, HIS111H, HIS176H, HIS31L, HIS35L, HIS52H, ILE122L, ILE2L, ILE39H, ILE53L, LEU101L, LEU130L, LEU136H, LEU140L, LEU141L, LEU150H, LEU153H, LEU180L, LEU182H, LEU184L, LEU186L, LEU187H, LEU190H, LEU201H, LEU38L, LEU42L, LEU47H, LEU50H, LEU51L, LEU65H, LEU98L, LEU9L, LYS108L, LYS131L, LYS141H, LYS155H, LYS174L, LYS212L, LYS221H, LYS222H, LYS225L, LYS226H, LYS44L, LYS45H, LYS59H, LYS66H, PHE102H, PHE103L, PHE112H, PHE121L, PHE123L, PHE134H, PHE144L, PHE178H, PHE214L, PHE60L, PHE94L, PRO100L, PRO118L, PRO124L, PRO125L, PRO135H, PRO138H, PRO179H, PRO225H, PRO43H, PRO45L, PRO49L, PRO63H, SER119L, SER126L, SER132H, SER132L, SER136L, SER139H, SER140H, SER142H, SER144H, SER164L, SER167L, SER173H, SER173L, SER179L, SER181L, SER182L, SER184H, SER185H, SER189H, SER191H, SER192H, SER198H, SER213L, SER227H, SER37H, SER48L, SER61L, SER64H, SER97L, THR102L, THR134L, THR143H, THR147H, THR169L, THR177H, THR177L, THR183L, THR185L, THR195H, THR211L, THR36L, THR58L, THR94H, TRP115H, TRP38H, TRP49H, TYR103H, TYR114H, TYR178L, TYR188H, TYR197L, TYR224L, TYR37L, TYR41L, TYR54H, TYR54L, TYR61H, TYR91L, TYR92L, TYR96H, VAL109H, VAL120L, VAL133H, VAL137L, VAL138L, VAL154H, VAL168L, VAL175H, VAL181H, VAL193H, VAL194H, VAL196H, VAL210L, VAL223H, VAL90L, VAL99L