3H10

aurora a inhibitor complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 73
  • Norm. En. per Res.: -2.8328
• 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	-21.0269	-40.7996	-144.971	-206.7975	73	7	1	5668	2	29	31
A-D	-2.8519	12.2558	-124.524	-115.12	70	7	5	4940	0	31	29
B-D	-2.914	7.2545	-46.2	-41.8596	45	3	0	1791	0	17	15

Interface residues

• A-B: ALA172A, ALA172B, ALA287A, ALA287B, ALA288A, ALA288B, ARG179A, ARG179B, ARG180A, ARG180B, ARG304A, ARG304B, ARG343A, ARG343B, ASN332B, CYS290A, CYS290B, GLN168A, GLN177A, GLN177B, GLN335A, GLN335B, GLU170A, GLU170B, GLU175A, GLU175B, GLU183B, GLU299B, GLU302A, GLU302B, GLU336A, GLU336B, GLY173A, GLY173B, GLY291A, GLY291B, GLY303A, GLY303B, HIS176A, HIS176B, HIS366A, HIS366B, ILE301A, ILE301B, LEU169A, LEU169B, LEU289A, LEU289B, LEU293A, LEU293B, LEU296A, LEU296B, LYS171A, LYS171B, LYS339A, LYS339B, MET300A, MET300B, PHE144A, PRO298A, PRO298B, SER342A, SER342B, THR333A, THR333B, THR337A, THR337B, TYR334A, TYR334B, TYR338A, TYR338B, VAL174A, VAL174B
• A-D: ALA124A, ALA129A, ALA167A, ALA172A, ALA172D, ALA203A, ARG179D, ARG180D, ARG205A, ARG304D, ASN146A, ASP202A, ASP256D, ASP307D, GLN127A, GLN168A, GLN177D, GLN335D, GLU131A, GLU170A, GLU175A, GLU175D, GLU181D, GLU299D, GLU302D, GLU336D, GLY145A, GLY173A, GLY173D, GLY303D, HIS176D, HIS201A, HIS254D, HIS306D, ILE135A, ILE184D, ILE253D, ILE301D, ILE341D, LEU130A, LEU164A, LEU169A, LEU293D, LEU296D, LYS125A, LYS143A, LYS166A, LYS171A, LYS339D, MET300D, MET305D, PHE144A, PHE165A, PHE200A, PRO297D, PRO298D, SER342D, THR204A, THR292D, THR333D, THR337D, TRP128A, TRP277D, TYR148A, TYR207A, TYR334D, TYR338D, VAL163A, VAL174D, VAL310D
• B-D: ALA129B, ALA203B, ALA281D, ALA331D, ARG126B, ARG179B, ARG180B, ARG251B, ARG340D, ASN332D, ASP202B, GLN127B, GLN168D, GLN185B, GLN223D, GLN335D, GLU131B, GLU183B, GLU330D, GLU336D, HIS187B, HIS201B, HIS280D, ILE184B, LEU293D, LYS125B, LYS141D, LYS143D, LYS166B, LYS171D, LYS250B, LYS339D, PHE200B, PRO282D, SER186B, SER283D, THR204B, THR333D, THR337D, TRP128B, TYR199B, TYR219D, TYR334D, VAL182B, VAL252B