3D69

crystal structure of the fab fragment of an anti-factor ix antibody 10c12

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 185
  • Norm. En. per Res.: -2.8429
• 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	-46.0449	-53.2362	-425.299	-524.5801	186	43	13	18536	4	29	28
L-A	0.0	0.0	-0.0153	-0.0153	4	0	0	5	0	0	4
L-B	-13.4936	-0.4788	-44.5026	-58.4749	23	8	0	1726	0	8	3
H-A	-12.1621	10.0123	-43.22	-45.3698	25	6	0	1811	0	8	3
H-B	0.0	0.0	-15.6029	-15.6029	31	4	3	1126	0	2	3
A-B	-49.6775	-53.778	-422.474	-525.9295	185	60	13	18754	5	30	28

Interface residues

• L-H: ALA100H, ALA125H, ALA128L, ALA131L, ALA136H, ALA137H, ALA168H, ALA174L, ALA175L, ALA208L, ALA43L, ALA49H, ALA60H, ALA89L, ALA90L, ALA93H, ALA95H, ALA98H, ALA99H, ARG100H, ARG105H, ARG38H, ARG94H, ASN129L, ASN170L, ASN31L, ASP101H, ASP139L, ASP144H, ASP217H, ASP50L, ASP61H, ASP85L, ASP92L, CYS135L, CYS140H, CYS216H, CYS88L, CYS92H, GLN127L, GLN168L, GLN171H, GLN37L, GLN38L, GLN39H, GLU124L, GLU125L, GLU161L, GLU46H, GLU6H, GLU95L, GLY101L, GLY104H, GLY106H, GLY139H, GLY159L, GLY162H, GLY174H, GLY41L, GLY42H, GLY44H, GLY99L, HIS164H, HIS35H, HIS39L, ILE137L, ILE48L, ILE50H, LEU100H, LEU118L, LEU124H, LEU126L, LEU133L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU179L, LEU45H, LEU46L, LEU4H, LEU95L, LEU97L, LYS117H, LYS130L, LYS143H, LYS157L, LYS167L, LYS172L, LYS209H, LYS210H, LYS214H, LYS42L, LYS43H, LYS45L, LYS53L, LYS64H, MET47L, PHE119L, PHE122H, PHE140L, PHE166H, PHE96L, PHE98L, PRO120L, PRO121L, PRO123H, PRO126H, PRO165L, PRO167H, PRO209L, PRO40L, PRO41H, PRO44L, PRO55L, SER115L, SER120H, SER122L, SER123L, SER127H, SER138L, SER161H, SER166L, SER169L, SER172H, SER173H, SER176L, SER177H, SER177L, SER179H, SER180H, SER180L, SER215H, SER34L, SER62H, SER95L, SER96H, THR100L, THR102L, THR117L, THR132L, THR146L, THR160H, THR162L, THR163L, THR164L, THR165H, THR183H, THR210L, TRP103H, TRP154H, TRP186L, TRP35L, TRP36H, TRP47H, TRP91L, TYR102H, TYR173L, TYR178L, TYR32L, TYR36L, TYR49L, TYR58H, TYR59H, TYR86L, TYR87L, TYR91H, VAL100H, VAL116L, VAL121H, VAL134L, VAL142H, VAL160L, VAL163H, VAL169H, VAL181H, VAL182H, VAL211H, VAL33L, VAL37H, VAL48H, VAL51L, VAL63H, VAL89H
• L-A: ASP93A, ASP93L, SER95A, SER95L
• L-B: ASN27L, ASN30L, ASN31L, ASN73B, ASP50L, ASP53B, ASP93L, GLY54B, ILE51B, LYS53L, LYS56B, LYS57B, LYS66L, SER30B, SER52B, SER55B, THR31B, TRP91L, TYR32L, TYR49L, TYR52B, TYR58B, VAL51L
• H-A: ALA33H, ARG71H, ASN30A, ASN31A, ASN73H, ASP50A, ASP53H, ASP93A, GLY29A, GLY54H, ILE51H, LYS53A, LYS56H, LYS57H, LYS66A, SER30H, SER52H, SER55H, THR31H, TRP91A, TYR32A, TYR49A, TYR52H, TYR58H, VAL51A
• H-B: ALA100B, ALA100H, ALA33B, ALA33H, ALA95H, ALA98B, ALA98H, ALA99B, ALA99H, ARG100B, ARG100H, ASP53B, ASP53H, ILE97B, ILE97H, LYS56B, LYS56H, SER52B, SER52H, SER55B, SER55H, SER96B, SER96H, THR31B, THR31H, TYR32B, TYR32H, TYR52B, TYR52H, VAL100B, VAL100H
• A-B: ALA100B, ALA125B, ALA128A, ALA131A, ALA136B, ALA137B, ALA168B, ALA174A, ALA175A, ALA208A, ALA40B, ALA43A, ALA49B, ALA60B, ALA89A, ALA90A, ALA93B, ALA95B, ALA98B, ALA99B, ARG100B, ARG105B, ARG38B, ARG94B, ASN129A, ASN170A, ASN31A, ASP101B, ASP139A, ASP144B, ASP217B, ASP50A, ASP61B, ASP85A, ASP92A, ASP93A, CYS135A, CYS140B, CYS216B, CYS88A, CYS92B, GLN127A, GLN168A, GLN171B, GLN37A, GLN38A, GLN39B, GLU124A, GLU125A, GLU161A, GLU46B, GLU6B, GLU95A, GLY101A, GLY104B, GLY106B, GLY139B, GLY159A, GLY162B, GLY41A, GLY42B, GLY44B, GLY57A, GLY99A, HIS164B, HIS35B, HIS39A, ILE137A, ILE48A, ILE50B, LEU100B, LEU118A, LEU124B, LEU126A, LEU133A, LEU136A, LEU138B, LEU141B, LEU170B, LEU175B, LEU178B, LEU179A, LEU181A, LEU45B, LEU46A, LEU95A, LEU97A, LYS130A, LYS143B, LYS157A, LYS167A, LYS205A, LYS209B, LYS214B, LYS42A, LYS43B, LYS45A, LYS53A, LYS64B, MET47A, PHE119A, PHE122B, PHE140A, PHE166B, PHE96A, PHE98A, PRO120A, PRO121A, PRO123B, PRO126B, PRO165A, PRO167B, PRO209A, PRO40A, PRO41B, PRO44A, PRO55A, SER115A, SER120B, SER122A, SER123A, SER127B, SER138A, SER161B, SER166A, SER169A, SER172B, SER173B, SER176A, SER177A, SER177B, SER179B, SER180A, SER180B, SER34A, SER56A, SER62B, SER94A, SER95A, SER96B, THR100A, THR117A, THR132A, THR160B, THR162A, THR163A, THR164A, THR165B, THR183B, THR210A, TRP103B, TRP154B, TRP35A, TRP36B, TRP47B, TRP91A, TYR102B, TYR173A, TYR178A, TYR32A, TYR36A, TYR49A, TYR58B, TYR59B, TYR86A, TYR87A, TYR91B, VAL100B, VAL116A, VAL121B, VAL134A, VAL142B, VAL147A, VAL160A, VAL163B, VAL169B, VAL181B, VAL182B, VAL211B, VAL33A, VAL37B, VAL48B, VAL51A, VAL63B, VAL89B