1UJ3

crystal structure of a humanized fab fragment of anti- tissue-factor antibody in complex with tissue factor

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 78
  • Norm. En. per Res.: -4.1249
• 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	-40.299	-28.0823	244.018	175.6366	191	18	14	18202	4	27	19
A-C	-40.8911	19.7761	-86.0449	-107.1599	47	6	0	3581	1	11	12
B-C	-68.5659	-35.8119	-217.362	-321.7398	78	12	0	7766	4	22	20

Interface residues

• A-B: ALA130A, ALA397B, ALA403B, ALA429B, ALA43A, ALA440B, ALA441B, ALA472B, ALA51A, ALA55A, ARG211A, ARG398B, ASN137A, ASN138A, ASN210A, ASP122A, ASP167A, ASP170A, ASP1A, ASP1A5, ASP361B, ASP399B, ASP405B, ASP448B, ASP56A, CB9.2202033.56601, CYS134A, CYS214A, CYS396B, CYS431B, CYS444B, CYS88A, GLN124A, GLN160A, GLN166A, GLN339B, GLN343B, GLN365B, GLN37A, GLN38A, GLN409B, GLN475B, GLN90A, GLU123A, GLU161A, GLU165A, GLU213A, GLU306B, GLU346B, GLU41A, GLU437B, GLU93A, GLY100A, GLY101A, GLY212A, GLY342B, GLY344B, GLY349B, GLY350B, GLY401B, GLY408B, GLY410B, GLY443B, GLY466B, GLY478B, GLY92A, GLY99A, HIS335B, HIS468B, HIS91A, ILE117A, ILE348B, ILE48A, LEU125A, LEU135A, LEU136A, LEU175A, LEU179A, LEU181A, LEU304B, LEU33A, LEU345B, LEU428B, LEU442B, LEU445B, LEU474B, LEU479B, LEU47A, LEU482B, LEU89A, LYS126A, LYS169A, LYS207A, LYS30A, LYS338B, LYS363B, LYS39A, LYS42A, LYS447B, LYS45A, LYS513B, MET359B, MET404B, PHE116A, PHE118A, PHE139A, PHE209A, PHE32A, PHE364B, PHE426B, PHE470B, PHE98A, PRO119A, PRO120A, PRO362B, PRO40A, PRO427B, PRO430B, PRO44A, PRO471B, PRO95A, SER114A, SER121A, SER127A, SER131A, SER159A, SER162A, SER168A, SER174A, SER176A, SER177A, SER208A, SER31A, SER34A, SER400B, SER424B, SER432B, SER465B, SER46A, SER476B, SER477B, SER481B, SER483B, SER484B, SER490B, SER517B, SER53A, SER94A, THR129A, THR164A, THR172A, THR178A, THR180A, THR435B, THR439B, THR469B, THR487B, THR85A, THR97A, TRP336B, TRP347B, TRP35A, TRP407B, TYR173A, TYR333B, TYR360B, TYR36A, TYR395B, TYR402B, TYR406B, TYR480B, TYR49A, TYR50A, TYR86A, TYR87A, TYR96A, VAL115A, VAL132A, VAL133A, VAL163A, VAL337B, VAL393B, VAL425B, VAL446B, VAL467B, VAL473B, VAL485B, VAL486B, VAL488B, VAL511B, VAL515B
• A-C: ALA768C, ARG744C, ASN724C, ASN771C, ASP1A, ASP1A5, ASP28A, ASP778C, CB8.3710423.29052, GLN27A, GLN90A, GLU774C, GLU93A, GLY92A, HIS91A, ILE29A, ILE2A, ILE752C, ILE777C, LEU751C, LEU755C, LEU776C, LEU89A, LYS30A, LYS722C, LYS749C, LYS765C, LYS766C, LYS769C, PHE32A, PHE775C, PRO794C, PRO95A, SER26A, SER31A, SER795C, SER94A, THR754C, THR767C, THR770C, THR772C, TYR49A, TYR50A, TYR753C, TYR756C, TYR757C, TYR96A
• B-C: ALA354B, ALA403B, ALA768C, ALA791C, ARG398B, ARG744C, ARG796C, ARG800C, ASN328B, ASN351B, ASN355B, ASN771C, ASN799C, ASP331B, ASP352B, ASP361B, ASP399B, ASP405B, ASP750C, ASP804C, GLN365B, GLN790C, GLY326B, GLY350B, GLY356B, GLY401B, GLY748C, GLY764C, HIS335B, HIS357B, ILE329B, ILE752C, ILE793C, LEU751C, LEU755C, LYS330B, LYS749C, LYS765C, LYS766C, LYS769C, LYS801C, MET334B, MET359B, MET404B, PHE327B, PHE787C, PRO353B, PRO362B, PRO794C, SER358B, SER400B, SER762C, SER763C, SER788C, SER795C, SER802C, SER805C, THR754C, THR767C, THR770C, THR772C, THR797C, THR803C, TRP347B, TRP758C, TYR332B, TYR333B, TYR360B, TYR402B, TYR406B, TYR753C, TYR756C, TYR757C, VAL302B, VAL789C, VAL792C, VAL798C, VAL807C