2A1W

anti-cocaine antibody 7.5.21, crystal form i

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: M-I
  • Int. Res.: 208
  • Norm. En. per Res.: -2.7737
• 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	-44.6507	-13.2496	-470.671	-528.5713	197	16	12	19434	1	26	24
L-M	0.0	0.0	-13.707	-13.707	14	0	0	613	0	0	5
L-I	-4.6811	0.9475	-68.593	-72.3266	39	0	2	2707	0	2	7
H-M	0.0	0.0	-37.5002	-37.5002	29	0	0	1370	0	2	2
H-I	-9.0481	-14.9601	-12.9397	-36.9479	15	5	0	749	1	4	2
M-I	-26.0558	-17.9965	-532.874	-576.9263	208	8	14	21440	1	26	21

Interface residues

• L-H: ALA115H, ALA135H, ALA135L, ALA139H, ALA140H, ALA178H, ALA49H, ALA50H, ALA97H, ARG216L, ARG223H, ARG38H, ARG44H, ARG47L, ARG59L, ARG98H, ASN142L, ASN143H, ASN143L, ASN166L, ASN215L, ASN33L, ASN58L, ASP100H, ASP111H, ASP170L, ASP172L, ASP175L, ASP1L, ASP224H, ASP62H, CYS139L, CYS150H, CYS225H, CYS93L, CYS96H, GLN129L, GLN141H, GLN181H, GLN39H, GLN43L, GLN6L, GLN95L, GLU128L, GLU39L, GLU42H, GLU46H, GLU6H, GLY104L, GLY105L, GLY106L, GLY114H, GLY116H, GLY134L, GLY137H, GLY149H, GLY163L, GLY172H, GLY33H, GLY46L, GLY96L, HIS174H, HIS35L, HIS98L, HIS99H, ILE122L, ILE220H, ILE51H, ILE53L, ILE99L, LEU130L, LEU134H, LEU141L, LEU148H, LEU151H, LEU165L, LEU180H, LEU184H, LEU184L, LEU186L, LEU187H, LEU38L, LEU3L, LEU45H, LEU51L, LEU52L, LEU93H, LEU9L, LYS105H, LYS108L, LYS153H, LYS174L, LYS212L, LYS218H, LYS219H, LYS31L, LYS43H, LYS44L, LYS50L, LYS55L, LYS65H, MET145H, MET180L, MET34H, MET4L, PHE103L, PHE109H, PHE110H, PHE123L, PHE140L, PHE144L, PHE176H, PHE214L, PHE60L, PHE94L, PHE95H, PRO100L, PRO107H, PRO124L, PRO125L, PRO133H, PRO136H, PRO177H, PRO45L, PRO49L, PRO61H, SER106H, SER121L, SER126L, SER127L, SER130H, SER132L, SER136L, SER138H, SER167L, SER170H, SER171H, SER179L, SER181L, SER182H, SER182L, SER188H, SER189H, SER190H, SER213L, SER35H, SER48L, SER59H, SER61L, SER63H, SER97L, THR102L, THR119L, THR131L, THR147H, THR169L, THR175H, THR177L, THR183L, THR185L, THR186H, THR192H, THR36L, THR5L, TRP101L, TRP113H, TRP164H, TRP168L, TRP198H, TRP36H, TRP47H, TYR108H, TYR132H, TYR178L, TYR185H, TYR191L, TYR37L, TYR41L, TYR54L, TYR60H, TYR91L, TYR92L, VAL112H, VAL120L, VAL131H, VAL137L, VAL138L, VAL146H, VAL152H, VAL164L, VAL173H, VAL179H, VAL191H, VAL221H, VAL37H, VAL48H, VAL90L
• L-M: ASN33M, GLY34M, HIS35M, HIS98L, ILE99L, ILE99M, LYS31L, LYS31M, PRO100L, SER32L, SER32M, TRP101L, TRP101M, TYR37M
• L-I: ALA50I, ARG30I, ASN31I, ASN33L, ASN54I, ASP100I, ASP101I, GLY33I, GLY34L, GLY53I, GLY73L, HIS35L, HIS98L, HIS99I, ILE29L, ILE51I, ILE99L, LEU56I, LYS105I, LYS31L, LYS55L, MET34I, PRO107I, SER106I, SER28L, SER32L, SER52I, SER55I, SER59I, SER72L, SER97L, THR36L, THR58I, TRP101L, TYR108I, TYR32I, TYR37L, TYR57I, VAL30L
• H-M: ALA50H, ASN33M, ASN54H, ASN58M, ASP62H, GLY34M, GLY53H, HIS35M, HIS98M, HIS99H, ILE51H, LEU56H, LYS31M, LYS55M, LYS65H, PRO61H, SER28M, SER32M, SER52H, SER57M, SER59H, THR36M, THR58H, TRP47H, TYR102H, TYR57H, TYR60H, VAL30M, VAL56M
• H-I: ASP100H, ASP101H, GLY104H, GLY104I, GLY33H, HIS99H, LYS105H, LYS105I, PHE109H, PRO107H, SER106H, SER106I, TYR102H, TYR102I, TYR103H
• M-I: ALA115I, ALA135I, ALA135M, ALA139I, ALA140I, ALA178I, ALA49I, ALA50I, ALA97I, ARG216M, ARG223I, ARG38I, ARG44I, ARG47M, ARG59M, ARG98I, ASN142M, ASN143I, ASN143M, ASN162M, ASN166M, ASN215M, ASN33M, ASN58M, ASP100I, ASP101I, ASP111I, ASP170M, ASP172M, ASP175M, ASP1M, ASP62I, CYS139M, CYS150I, CYS93M, CYS96I, GLN129M, GLN141I, GLN171M, GLN181I, GLN39I, GLN43M, GLN6M, GLN95M, GLU128M, GLU39M, GLU42I, GLU46I, GLU6I, GLY104I, GLY104M, GLY105M, GLY106M, GLY114I, GLY116I, GLY133M, GLY134M, GLY137I, GLY149I, GLY163M, GLY172I, GLY33I, GLY46M, GLY62M, GLY96M, HIS174I, HIS35M, HIS98M, HIS99I, ILE122M, ILE220I, ILE51I, ILE53M, ILE99M, LEU130M, LEU134I, LEU141M, LEU148I, LEU151I, LEU165M, LEU180I, LEU184I, LEU184M, LEU186M, LEU187I, LEU38M, LEU3M, LEU42M, LEU45I, LEU4I, LEU51M, LEU52M, LEU93I, LYS105I, LYS108M, LYS153I, LYS174M, LYS212M, LYS218I, LYS219I, LYS31M, LYS43I, LYS50M, LYS55M, LYS65I, MET145I, MET180M, MET34I, MET4M, PHE103M, PHE109I, PHE110I, PHE123M, PHE140M, PHE144M, PHE176I, PHE214M, PHE60M, PHE94M, PHE95I, PRO100M, PRO107I, PRO124M, PRO125M, PRO133I, PRO136I, PRO177I, PRO45M, PRO49M, PRO61I, SER106I, SER121M, SER126M, SER127M, SER130I, SER132M, SER136M, SER138I, SER167M, SER170I, SER171I, SER173M, SER179M, SER181M, SER182I, SER182M, SER188I, SER189I, SER190I, SER213M, SER35I, SER48M, SER59I, SER61M, SER63I, SER97M, THR102M, THR119M, THR131M, THR147I, THR169M, THR175I, THR177M, THR183M, THR185M, THR186I, THR192I, THR36M, THR58I, TRP101M, TRP113I, TRP164I, TRP168M, TRP198I, TRP36I, TRP40M, TRP47I, TYR102I, TYR103I, TYR108I, TYR132I, TYR178M, TYR185I, TYR191M, TYR197M, TYR37M, TYR41M, TYR54M, TYR57I, TYR60I, TYR91M, TYR92M, VAL112I, VAL120M, VAL131I, VAL137M, VAL138M, VAL146I, VAL152I, VAL164M, VAL173I, VAL179I, VAL191I, VAL211M, VAL221I, VAL37I, VAL48I, VAL90M