1UWG

molecular mechanism of enantioselective proton transfer to carbon in catalytic antibody 14d9

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-X
  • Int. Res.: 106
  • Norm. En. per Res.: -3.4796
• Hub Node: H(1)

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
H-L	-16.58	-18.4224	-378.673	-413.6754	169	17	10	16090	0	23	17
L-X	-64.9159	-97.0147	-206.912	-368.8426	106	16	1	9633	11	28	29
X-Y	-7.2971	-23.4361	-382.768	-413.5012	172	14	11	16134	0	23	15

Interface residues

• H-L: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA169L, ALA34L, ALA84L, ALA96H, ARG142L, ARG54L, ASN100H, ASN137L, ASN138L, ASN33H, ASN44H, ASN60H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP52H, CYS134L, CYS140H, CYS88L, CYS95H, GLN124L, GLN160L, GLN166L, GLN171H, GLN38L, GLN39H, GLN42L, GLN61H, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU1L, GLU46H, GLU6H, GLU85L, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY162H, GLY41L, GLY42H, GLY49H, GLY50H, GLY99L, HIS164H, ILE117L, ILE48H, ILE97H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU45H, LEU47L, LEU4H, LEU93L, LYS103L, LYS126L, LYS143H, LYS209H, LYS210H, LYS214H, LYS38H, LYS39L, LYS43H, LYS45L, LYS62H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE63H, PHE87L, PHE94L, PHE98H, PHE98L, PRO105H, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, SER114L, SER120H, SER121L, SER127L, SER131L, SER159L, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER43L, SER50L, SER56L, THR107H, THR129L, THR135H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR46L, THR97L, TRP103H, TRP36H, TRP47H, TYR102H, TYR173L, TYR35H, TYR36L, TYR49L, TYR53L, TYR55L, TYR59H, TYR86L, TYR91L, TYR93H, TYR94H, TYR99H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL37H, VAL58H, VAL92H, VAL96L
• L-X: ALA144X, ALA145L, ALA145X, ALA147L, ALA147X, ALA153L, ALA153X, ALA25L, ALA25X, ARG108X, ARG142L, ARG142X, ARG18L, ARG18X, ARG76L, ARG76X, ASN152L, ASN152X, ASP17L, ASP17X, ASP70L, ASP70X, ASP77L, ASP77X, CYS23L, CYS23X, GLN155L, GLN155X, GLN6L, GLN6X, GLU105L, GLU105X, GLU143L, GLU143X, GLU195L, GLU195X, GLY157L, GLY157X, GLY16L, GLY16X, ILE106L, ILE106X, ILE75L, ILE75X, LEU104L, LEU104X, LEU154L, LEU154X, LYS103L, LYS103X, LYS107L, LYS107X, LYS149L, LYS149X, LYS24L, LYS24X, LYS9L, LYS9X, MET11L, MET11X, PHE10L, PHE10X, PHE71L, PHE71X, PRO204L, PRO204X, PRO8L, PRO8X, SER12L, SER12X, SER14L, SER14X, SER156L, SER156X, SER20L, SER20X, SER7L, SER7X, THR102L, THR102X, THR13L, THR13X, THR197L, THR197X, THR22L, THR22X, THR5L, THR5X, THR69L, THR69X, THR72L, THR72X, THR74L, THR74X, TRP148L, TRP148X, TYR140L, TYR140X, VAL15L, VAL15X, VAL19L, VAL19X, VAL21L, VAL21X, VAL78L, VAL78X
• X-Y: ALA125Y, ALA130X, ALA136Y, ALA137Y, ALA168Y, ALA169X, ALA34X, ALA84X, ALA96Y, ARG142X, ARG54X, ASN100Y, ASN137X, ASN138X, ASN33Y, ASN44Y, ASN60Y, ASP101Y, ASP122X, ASP144Y, ASP167X, ASP170X, ASP52Y, CYS134X, CYS140Y, CYS88X, CYS95Y, GLN124X, GLN160X, GLN166X, GLN171Y, GLN38X, GLN39Y, GLN42X, GLN61Y, GLN89X, GLN90X, GLU123X, GLU161X, GLU165X, GLU1X, GLU46Y, GLU6Y, GLU85X, GLY100X, GLY100Y, GLY101X, GLY104Y, GLY106Y, GLY128X, GLY139Y, GLY162Y, GLY41X, GLY49Y, GLY50Y, GLY99X, HIS164Y, HIS32X, ILE117X, ILE48X, ILE48Y, LEU104X, LEU124Y, LEU125X, LEU135X, LEU136X, LEU138Y, LEU141Y, LEU170Y, LEU175X, LEU175Y, LEU178Y, LEU179X, LEU181X, LEU45Y, LEU47X, LEU4Y, LEU93X, LYS103X, LYS126X, LYS143Y, LYS209Y, LYS210Y, LYS214Y, LYS38Y, LYS39X, LYS43Y, LYS45X, LYS62Y, PHE100Y, PHE116X, PHE118X, PHE122Y, PHE139X, PHE166Y, PHE63Y, PHE87X, PHE94X, PHE98X, PHE98Y, PRO105Y, PRO119X, PRO120X, PRO123Y, PRO126Y, PRO167Y, PRO40X, PRO44X, PRO95X, SER114X, SER120Y, SER121X, SER127X, SER131X, SER159X, SER161Y, SER162X, SER168X, SER172Y, SER173Y, SER174X, SER176X, SER177X, SER177Y, SER179Y, SER180Y, SER43X, SER50X, SER56X, THR102X, THR129X, THR135Y, THR164X, THR165Y, THR172X, THR178X, THR180X, THR183Y, THR46X, THR97X, TRP103Y, TRP35X, TRP36Y, TRP47Y, TYR102Y, TYR173X, TYR35Y, TYR36X, TYR49X, TYR53X, TYR55X, TYR59Y, TYR86X, TYR91X, TYR94Y, TYR99Y, VAL115X, VAL121Y, VAL132X, VAL133X, VAL142Y, VAL163X, VAL163Y, VAL169Y, VAL181Y, VAL182Y, VAL184Y, VAL211Y, VAL37Y, VAL58Y, VAL92Y, VAL96X