3FO1

crystal structure of hapten complex of catalytic elimination antibody 13g5 (glu(l39)ala mutant)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 183
  • Norm. En. per Res.: -2.7658
• 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	-19.8536	-23.2194	-446.38	-489.453	192	16	11	17680	2	14	14
L-A	0.0	8.6092	-35.2127	-26.6035	35	1	0	2512	0	4	4
L-B	0.0	0.0	-4.3316	-4.3316	16	0	0	257	0	2	0
H-A	0.0	0.0	-3.7276	-3.7276	19	0	0	247	0	2	0
H-B	-7.7869	-22.3416	-104.947	-135.0755	65	4	0	4018	2	6	6
A-B	-33.1295	-24.8624	-448.156	-506.148	183	9	11	17463	2	13	13

Interface residues

• L-H: ALA133H, ALA135L, ALA144H, ALA145H, ALA176H, ALA39L, ALA62H, ALA96H, ARG147L, ARG38H, ARG59L, ASN142L, ASN143L, ASN33L, ASN35L, ASN58H, ASN58L, ASN60H, ASP109H, ASP127L, ASP152H, ASP172L, ASP175L, ASP35H, CYS139L, CYS148H, CYS93L, CYS95H, GLN113H, GLN129L, GLN165L, GLN171L, GLN179H, GLN39H, GLN43L, GLN47L, GLN95L, GLU128L, GLU166L, GLU170L, GLU1L, GLU46H, GLU6H, GLY100H, GLY101H, GLY104L, GLY105L, GLY106L, GLY107H, GLY112H, GLY114H, GLY141H, GLY142H, GLY147H, GLY170H, GLY34L, GLY42H, GLY44H, GLY46L, GLY49H, GLY96L, HIS110H, HIS172H, HIS31L, HIS98H, HIS98L, ILE104H, ILE122L, ILE53L, LEU130L, LEU132H, LEU140L, LEU141L, LEU146H, LEU149H, LEU178H, LEU180L, LEU183H, LEU184L, LEU186H, LEU186L, LEU2L, LEU38L, LEU42L, LEU45H, LEU51L, LEU52L, LEU99L, LEU9L, LYS108L, LYS131L, LYS151H, LYS174L, LYS212L, LYS217H, LYS218H, LYS43H, LYS50L, LYS55L, LYS97H, MET108H, MET64H, PHE103L, PHE121L, PHE123L, PHE130H, PHE144L, PHE174H, PHE60L, PHE94L, PRO100L, PRO101L, PRO105H, PRO118L, PRO124L, PRO125L, PRO131H, PRO134H, PRO175H, PRO40H, PRO45L, PRO49L, SER119L, SER126L, SER128H, SER132L, SER136L, SER140H, SER164L, SER167L, SER173L, SER179L, SER180H, SER181H, SER181L, SER182L, SER185H, SER187H, SER188H, SER194H, SER32L, SER48L, SER61H, SER61L, SER97L, THR102L, THR134L, THR143H, THR169L, THR173H, THR177L, THR183L, THR185L, THR191H, THR36L, THR57H, TRP111H, TRP36H, TRP40L, TRP47H, TRP52H, TRP99H, TYR102H, TYR103H, TYR106H, TYR178L, TYR184H, TYR37L, TYR41L, TYR54L, TYR59H, TYR91L, TYR92L, TYR94H, VAL120L, VAL129H, VAL137L, VAL138L, VAL150H, VAL168L, VAL171H, VAL177H, VAL189H, VAL190H, VAL192H, VAL219H, VAL37H, VAL48H, VAL50H, VAL56L, VAL90L, VAL92H
• L-A: ARG24A, ARG24L, GLN27A, GLN27L, GLN6A, GLN6L, GLU1A, GLU1L, GLY105A, GLY105L, LEU2A, LEU2L, LEU9A, LEU9L, MET4A, MET4L, PRO8A, PRO8L, SER10A, SER10L, SER22A, SER22L, SER25A, SER25L, SER26A, SER26L, THR102L, THR5A, THR5L, THR74A, THR74L, THR7A, THR7L, VAL3A, VAL3L
• L-B: ALA62B, ARG147L, ASN83B, GLN165L, GLN16B, GLU166L, GLY162L, LEU9L, PRO14B, SER15B, SER161L, SER164L, SER17B, SER61B, SER65B, SER84B
• H-A: ALA62H, ARG147A, ASN163A, ASN83H, GLN165A, GLN16H, GLU148A, GLU166A, GLY162A, LEU9A, PRO14H, SER10A, SER15H, SER161A, SER164A, SER17H, SER61H, SER65H, SER84H
• H-B: ALA122B, ALA122H, ALA13B, ALA13H, ALA62B, ALA62H, ARG38B, ARG38H, ASP88B, ASP88H, GLN16B, GLN16H, GLN179B, GLN179H, GLN86B, GLN86H, GLU46B, GLU46H, GLY182B, GLY182H, GLY42B, GLY42H, LEU178B, LEU178H, LEU183B, LEU183H, LEU63B, LEU63H, LEU85B, LEU85H, LYS43B, LYS43H, PHE154H, PRO14B, PRO14H, PRO40B, PRO40H, PRO41B, PRO41H, SER120B, SER120H, SER121B, SER121H, SER15B, SER15H, SER180B, SER180H, SER181B, SER181H, SER84B, SER84H, THR118B, THR118H, THR87B, THR87H, THR90B, THR90H, TYR184B, TYR184H, VAL119B, VAL119H, VAL12B, VAL12H, VAL177B, VAL177H
• A-B: ALA133B, ALA135A, ALA144B, ALA145B, ALA176B, ALA39A, ALA62B, ALA96B, ARG147A, ARG38B, ARG59A, ASN142A, ASN143A, ASN33A, ASN35A, ASN58A, ASN58B, ASN60B, ASP109B, ASP127A, ASP152B, ASP172A, ASP175A, ASP35B, CYS139A, CYS148B, CYS93A, CYS95B, GLN113B, GLN129A, GLN165A, GLN171A, GLN179B, GLN39B, GLN43A, GLN47A, GLN95A, GLU128A, GLU166A, GLU170A, GLU1A, GLU220B, GLU46B, GLU6B, GLY100B, GLY101B, GLY104A, GLY105A, GLY106A, GLY107B, GLY112B, GLY114B, GLY147B, GLY170B, GLY34A, GLY42B, GLY44B, GLY46A, GLY49B, GLY96A, HIS110B, HIS172B, HIS31A, HIS98A, HIS98B, ILE104B, ILE122A, ILE53A, LEU130A, LEU132B, LEU140A, LEU141A, LEU146B, LEU149B, LEU178B, LEU180A, LEU183B, LEU186A, LEU186B, LEU38A, LEU42A, LEU45B, LEU51A, LEU52A, LEU99A, LEU9A, LYS108A, LYS131A, LYS151B, LYS217B, LYS218B, LYS43B, LYS44A, LYS50A, LYS55A, LYS97B, MET108B, MET64B, PHE103A, PHE121A, PHE123A, PHE130B, PHE144A, PHE174B, PHE60A, PHE94A, PRO100A, PRO101A, PRO105B, PRO124A, PRO125A, PRO131B, PRO134B, PRO175B, PRO49A, SER119A, SER126A, SER128B, SER132A, SER136A, SER164A, SER167A, SER173A, SER179A, SER180B, SER181A, SER181B, SER182A, SER185B, SER187B, SER188B, SER194B, SER32A, SER48A, SER61A, SER61B, SER97A, THR102A, THR134A, THR143B, THR169A, THR173B, THR177A, THR183A, THR185A, THR191B, THR36A, THR57B, TRP111B, TRP36B, TRP40A, TRP47B, TRP52B, TRP99B, TYR102B, TYR103B, TYR106B, TYR178A, TYR37A, TYR41A, TYR54A, TYR59B, TYR91A, TYR92A, TYR94B, VAL120A, VAL129B, VAL137A, VAL138A, VAL150B, VAL168A, VAL171B, VAL177B, VAL189B, VAL190B, VAL192B, VAL219B, VAL37B, VAL48B, VAL50B, VAL56A, VAL90A, VAL92B