2JB6

fab fragment in complex with small molecule hapten, crystal form-2

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 185
  • Norm. En. per Res.: -2.5586
• Hub Node: A(2)

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	-6.4407	-21.8714	-422.93	-451.242	183	11	11	16918	1	13	16
A-L	-37.2308	0.0	-122.044	-159.2748	77	11	3	5568	0	0	2
H-L	-32.7047	-17.3018	-423.333	-473.3394	185	18	11	17079	0	12	17

Interface residues

• A-B: ALA132A, ALA132B, ALA135A, ALA143B, ALA144B, ALA175B, ALA178A, ALA179A, ALA212A, ALA33B, ALA40B, ALA45A, ALA58B, ALA61B, ALA97B, ARG38B, ARG56A, ARG91A, ASN174A, ASN35B, ASN50B, ASN55A, ASN59B, ASN96A, ASP108B, ASP143A, ASP151B, ASP87A, ASP94A, CYS139A, CYS147B, CYS90A, CYS96B, GLN112B, GLN131A, GLN172A, GLN178B, GLN39A, GLN39B, GLN40A, GLN43B, GLN62B, GLN65B, GLN6B, GLU128A, GLU129A, GLU165A, GLU46B, GLY103A, GLY104A, GLY105A, GLY111B, GLY113B, GLY146B, GLY163A, GLY181B, GLY42B, GLY43A, GLY44B, GLY49B, GLY52A, GLY59A, HIS105B, HIS171B, ILE141A, ILE50A, LEU106B, LEU122A, LEU130A, LEU131B, LEU137A, LEU140A, LEU145B, LEU148B, LEU177B, LEU182B, LEU183A, LEU185A, LEU185B, LEU196B, LEU45B, LEU48A, LEU97A, LYS104B, LYS124B, LYS134A, LYS150B, LYS171A, LYS176A, LYS209A, LYS216B, LYS217B, LYS44A, LYS47A, LYS63B, MET101B, MET48B, PHE100B, PHE102A, PHE123A, PHE129B, PHE144A, PHE173B, PHE64B, PRO124A, PRO125A, PRO130B, PRO133B, PRO169A, PRO174B, PRO42A, PRO46A, PRO57A, SER100A, SER102B, SER107B, SER119A, SER126A, SER127A, SER127B, SER134B, SER135B, SER137B, SER139B, SER142A, SER170A, SER173A, SER179B, SER180A, SER180B, SER181A, SER184A, SER184B, SER186B, SER187B, SER36A, SER58A, SER92A, SER98A, THR106A, THR121A, THR136A, THR138B, THR166A, THR167A, THR168A, THR172B, THR190B, THR57B, TRP110B, TRP36B, TRP47B, TRP93A, TYR103B, TYR109B, TYR152B, TYR177A, TYR182A, TYR183B, TYR32B, TYR34A, TYR38A, TYR51A, TYR60B, TYR88A, TYR89A, TYR95B, TYR99A, TYR99B, VAL101A, VAL120A, VAL128B, VAL138A, VAL149B, VAL164A, VAL176B, VAL188B, VAL189B, VAL211A, VAL218B, VAL37B, VAL60A, VAL93B
• A-L: ALA73A, ALA8A, ALA8L, CYS22A, CYS22L, GLN16A, GLN16L, GLN6A, GLN6L, GLY104A, GLY104L, GLY105L, GLY12A, GLY12L, GLY15A, GLY15L, GLY70A, GLY70L, GLY79L, ILE18A, ILE18L, ILE20A, ILE20L, ILE77A, ILE77L, LEU108A, LEU108L, LEU111A, LEU111L, LEU4A, LEU4L, LEU80A, LEU80L, LYS107A, LYS107L, LYS68A, LYS68L, PRO7A, PRO7L, SER11A, SER11L, SER13A, SER13L, SER17A, SER17L, SER21A, SER21L, SER67A, SER67L, SER69A, SER69L, SER74A, SER74L, SER78A, SER78L, SER9A, SER9L, THR106A, THR106L, THR109A, THR109L, THR150A, THR150L, THR19A, THR19L, THR23A, THR23L, THR5A, THR5L, THR72A, THR72L, THR76A, THR76L, VAL10A, VAL10L, VAL110A, VAL110L
• H-L: ALA132H, ALA132L, ALA135L, ALA143H, ALA144H, ALA175H, ALA178L, ALA179L, ALA212L, ALA33H, ALA40H, ALA45L, ALA58H, ALA61H, ALA97H, ARG38H, ARG56L, ARG91L, ARG98H, ASN133L, ASN174L, ASN35H, ASN50H, ASN55L, ASN59H, ASN96L, ASP108H, ASP143L, ASP151H, ASP87L, CYS139L, CYS147H, CYS90L, CYS96H, GLN112H, GLN131L, GLN172L, GLN178H, GLN39H, GLN39L, GLN40L, GLN43H, GLN62H, GLN65H, GLN6H, GLU128L, GLU129L, GLU165L, GLU46H, GLU52H, GLY103L, GLY104L, GLY105L, GLY111H, GLY113H, GLY146H, GLY163L, GLY181H, GLY42H, GLY43L, GLY44H, GLY49H, GLY52L, GLY59L, HIS105H, HIS171H, HIS41L, ILE141L, ILE34H, ILE50L, LEU106H, LEU122L, LEU130L, LEU131H, LEU137L, LEU140L, LEU145H, LEU148H, LEU177H, LEU182H, LEU183L, LEU185H, LEU185L, LEU196H, LEU45H, LEU48L, LEU97L, LYS104H, LYS124H, LYS134L, LYS150H, LYS171L, LYS176L, LYS209L, LYS216H, LYS217H, LYS44L, LYS47L, LYS63H, MET101H, MET48H, MET49L, PHE100H, PHE102L, PHE123L, PHE129H, PHE144L, PHE173H, PHE64H, PRO124L, PRO125L, PRO130H, PRO133H, PRO169L, PRO174H, PRO42L, PRO46L, PRO57L, SER100L, SER102H, SER107H, SER119L, SER126L, SER127H, SER127L, SER134H, SER137H, SER139H, SER142L, SER170L, SER173L, SER179H, SER180H, SER180L, SER181L, SER184H, SER184L, SER186H, SER187H, SER36L, SER58L, SER92L, SER98L, THR121L, THR136L, THR138H, THR166L, THR167L, THR168L, THR172H, THR190H, THR210L, TRP110H, TRP36H, TRP47H, TRP93L, TYR103H, TYR109H, TYR177L, TYR182L, TYR183H, TYR32H, TYR34L, TYR38L, TYR51L, TYR60H, TYR88L, TYR89L, TYR95H, TYR99H, TYR99L, VAL101L, VAL120L, VAL128H, VAL138L, VAL149H, VAL164L, VAL176H, VAL188H, VAL189H, VAL211L, VAL218H, VAL37H, VAL60L, VAL93H