2ADF

crystal structure and paratope determination of 82d6a3, an antithrombotic antibody directed against the von willebrand factor a3-domain

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 190
  • Norm. En. per Res.: -3.4142
• 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-H	-43.1265	-18.9976	-169.995	-232.119	74	8	3	6075	1	6	6
A-L	-13.0824	-37.7669	-47.1967	-98.046	47	2	0	2183	2	8	7
H-L	-71.9922	-54.5388	-522.168	-648.699	190	21	15	20455	4	18	18

Interface residues

• A-H: ALA1010A, ALA1014A, ALA1047A, ALA1048A, ALA104H, ALA1051A, ARG1016A, ARG98H, ASN100H, ASN31H, ASN35H, ASN52H, ASN54H, ASN983A, ASP1009A, ASP1043A, ASP106H, ASP979A, ASP99H, GLN1006A, GLN966A, GLN971A, GLU1001A, GLU1021A, GLU57H, GLY1008A, GLY1012A, GLY1024A, GLY33H, GLY973A, HIS1023A, HIS990A, ILE2H, ILE30H, ILE975A, ILE978A, LEU1011A, LEU1018A, LEU105H, LEU970A, LEU994A, LYS51H, MET1022A, MET34H, MET998A, PHE1013A, PHE29H, PRO101H, PRO981A, SER1020A, SER974A, THR1019A, THR28H, THR53H, THR55H, THR59H, THR976A, THR977A, TRP47H, TRP50H, TRP982A, TYR1017A, TYR102H, TYR103H, TYR107H, TYR27H, TYR32H, TYR972A, VAL1015A, VAL969A, VAL980A, VAL984A, VAL985A, VAL997A
• A-L: ALA1010A, ALA1014A, ALA1047A, ALA1048A, ALA1051A, ALA1052A, ARG1016A, ARG95L, ASN1055A, ASN30L, ASN93L, ASP1009A, ASP1043A, ASP1050A, ASP92L, GLN1006A, GLN55L, GLN90L, GLU1001A, GLY1008A, GLY1012A, GLY57L, GLY973A, HIS1023A, HIS49L, ILE29L, ILE975A, LEU1018A, LEU46L, LEU54L, LEU94L, LYS31L, MET1022A, PHE1013A, PRO1004A, PRO56L, SER1020A, SER1054A, SER974A, THR1019A, THR53L, THR976A, TYR1017A, TYR32L, TYR50L, TYR91L, VAL1015A
• H-L: ALA104H, ALA129L, ALA130H, ALA173H, ALA34L, ALA97H, ARG218H, ARG45L, ARG65H, ARG95L, ARG98H, ASN100H, ASN136L, ASN137L, ASN156L, ASN160L, ASN209L, ASN30L, ASN35H, ASN93L, ASP106H, ASP135H, ASP164L, ASP166L, ASP169L, ASP1L, ASP92L, ASP99H, CYS133H, CYS133L, CYS145H, CYS88L, CYS96H, GLN110H, GLN123L, GLN176H, GLN37L, GLN39H, GLN3L, GLN55L, GLN6H, GLN90L, GLU122L, GLU216H, GLU62H, GLU63H, GLY100L, GLY109H, GLY111H, GLY127L, GLY128L, GLY138H, GLY144H, GLY157L, GLY167H, GLY33H, GLY41L, GLY42H, GLY43L, GLY44H, GLY49H, GLY61H, GLY98L, GLY99L, HIS169H, HIS38L, HIS49L, ILE116L, ILE215H, ILE2L, ILE33L, ILE48L, LEU105H, LEU124L, LEU129H, LEU135L, LEU143H, LEU146H, LEU159L, LEU175H, LEU178L, LEU179H, LEU180L, LEU182H, LEU45H, LEU46L, LEU47L, LEU89L, LEU94L, LYS102L, LYS141L, LYS148H, LYS168L, LYS206L, LYS213H, LYS214H, LYS31L, LYS38H, LYS39L, LYS42L, LYS43H, LYS46H, MET174L, MET34H, MET48H, PHE117L, PHE134L, PHE138L, PHE171H, PHE208L, PHE95H, PHE97L, PRO101H, PRO118L, PRO119L, PRO128H, PRO131H, PRO172H, PRO40L, PRO44L, PRO56L, SER115L, SER120L, SER121L, SER125H, SER126L, SER130L, SER140H, SER161L, SER166H, SER173L, SER175L, SER176L, SER183H, SER184H, SER185H, SER207L, THR113H, THR113L, THR125L, THR136H, THR137H, THR142H, THR163L, THR170H, THR171L, THR177L, THR179L, THR181H, THR187H, THR51L, THR53L, THR59H, THR85L, THR93H, THR96L, TRP108H, TRP159H, TRP162L, TRP193H, TRP35L, TRP36H, TRP47H, TRP50H, TYR102H, TYR103H, TYR107H, TYR127H, TYR172L, TYR180H, TYR185L, TYR32L, TYR36L, TYR50L, TYR60H, TYR86L, TYR87L, TYR91L, VAL114L, VAL126H, VAL131L, VAL132H, VAL132L, VAL141H, VAL147H, VAL158L, VAL168H, VAL174H, VAL186H, VAL37H