3M36

factor xa in complex with the inhibitor 1-[3-(aminomethyl) phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3- (trifluoromethyl)-1h-pyrazole-5-carboxamide (dpc423)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-L
  • Int. Res.: 82
  • Norm. En. per Res.: -3.4052
• Hub Node: A(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
A-L	-48.7776	-10.2226	-220.228	-279.2281	82	13	3	9804	0	15	15

Interface residues

• A-L: ALA112L, ALA119A, ALA121A, ALA123L, ALA128A, ARG113L, ARG115A, ARG125A, ARG202A, ARG71A, ASN117A, ASN93L, ASP126A, ASP205A, ASP239A, ASP24A, ASP92L, ASP95L, ASP97L, CYS100L, CYS111L, CYS122A, CYS124L, CYS132L, CYS22A, CYS27A, CYS89L, CYS96L, GLN135L, GLN20A, GLN98L, GLU124A, GLU138L, GLU26A, GLY114L, GLY128L, GLY133L, GLY25A, GLY94L, HIS101L, ILE137A, ILE238A, ILE46A, LEU123A, LEU131A, LEU137L, LEU235A, LEU47A, LYS122L, LYS134L, LYS204A, LYS23A, LYS243A, MET116A, MET157A, MET242A, PHE114A, PHE203A, PHE208A, PHE99L, PRO120A, PRO124A, PRO126L, PRO129L, PRO131L, PRO28A, SER110L, SER130A, SER48A, SER90L, THR113A, THR131A, THR136L, THR206A, TRP127A, TRP29A, TYR115L, TYR130L, TYR207A, VAL118A, VAL200A, VAL209A