2AR9

crystal structure of a dimeric caspase-9

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -3.505
• Hub Node: A(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
A-B	-89.5075	-3.3007	-411.915	-504.7231	144	34	5	16513	0	18	21
A-C	-8.3694	-56.1909	-19.5617	-84.122	43	1	0	1196	5	11	12
A-D	0.0	0.0	-4.8527	-4.8527	10	0	0	291	0	3	1
B-C	0.0	0.0	-4.5791	-4.5791	9	0	0	300	0	3	0
B-D	-5.2061	-61.0818	-181.77	-248.0579	86	15	4	7736	6	34	27
C-D	-80.7655	-7.0659	-398.477	-486.3084	150	44	7	16740	0	18	19

Interface residues

• A-B: ALA141A, ALA141B, ALA149A, ALA149B, ALA152A, ALA152B, ALA241A, ALA241B, ALA388A, ALA388B, ALA390A, ALA390B, ARG386A, ARG386B, ARG408A, ARG408B, ASN148A, ASN148B, ASN265B, ASN389A, ASN389B, ASP150A, ASP150B, ASP340A, ASP340B, ASP379A, ASP379B, CYS239A, CYS239B, CYS402A, CYS402B, GLN240A, GLN240B, GLN245A, GLN245B, GLN381A, GLN381B, GLN399A, GLN399B, GLU261A, GLU261B, GLU378A, GLU378B, GLY140A, GLY248A, GLY248B, GLY277A, GLY289B, GLY350A, GLY395B, HIS243A, HIS243B, ILE341A, ILE341B, ILE370A, ILE370B, ILE396A, ILE396B, ILE403A, ILE403B, LEU142A, LEU142B, LEU145A, LEU145B, LEU151A, LEU151B, LEU244A, LEU244B, LEU335A, LEU335B, LEU380A, LEU383A, LEU383B, LEU384A, LEU384B, LEU385A, LEU385B, LEU407A, LEU407B, LEU411A, LEU411B, LYS394B, LYS398A, LYS398B, LYS409A, LYS409B, LYS410A, LYS410B, MET400A, MET400B, MET406A, MET406B, PHE246A, PHE246B, PHE342A, PHE342B, PHE348A, PHE351A, PHE412A, PHE412B, PRO247A, PRO247B, PRO336A, PRO336B, PRO338A, PRO338B, PRO349A, PRO401A, PRO401B, SER242A, SER242B, SER339A, SER339B, SER344A, SER344B, SER382A, SER382B, SER392A, SER392B, SER405A, SER405B, THR337A, THR337B, THR347A, TRP374A, TRP374B, TYR153A, TYR153B, TYR345A, TYR345B, TYR397A, TYR397B, VAL264B, VAL343A, VAL343B, VAL352A, VAL387A, VAL387B, VAL391A, VAL391B, VAL393A, VAL393B, VAL404A, VAL404B
• A-C: ALA149A, ALA149C, ALA226A, ALA226C, ARG408A, ARG408C, ASN148A, ASN148C, ASP150A, ASP150C, ASP228A, ASP228C, GLU143A, GLU143C, GLU158A, GLU158C, GLY147A, GLY147C, GLY225C, GLY276A, GLY276C, GLY277A, GLY277C, ILE154A, ILE154C, LEU155A, LEU155C, LYS278A, LYS278C, LYS409A, LYS409C, LYS414A, LYS414C, MET157A, MET157C, PRO273A, PRO273C, SER144A, SER144C, SER156A, SER156C, TYR153A, TYR153C
• A-D: ARG408A, ASN148A, ASN389D, ASP150A, ILE396D, LEU151A, LYS394D, LYS409A, SER392D, VAL393D
• B-C: ARG408C, ASN148C, ASN389B, ASP150C, ILE396B, LEU151C, LYS409C, SER392B, VAL393B
• B-D: ALA390B, ALA390D, ARG191B, ARG191D, ARG192B, ARG192D, ARG193B, ARG193D, ARG355B, ARG355D, ARG386B, ARG386D, ASN389B, ASN389D, ASP186B, ASP186D, ASP356B, ASP356D, ASP368B, ASP368D, ASP369B, ASP369D, GLN373B, GLN373D, GLU188B, GLU188D, GLU365B, GLU365D, GLU372B, GLU372D, GLY360B, GLY360D, GLY395B, GLY395D, ILE185B, ILE185D, ILE370B, ILE370D, ILE396B, ILE396D, LEU190B, LEU190D, LEU367B, LEU367D, LYS189B, LYS189D, LYS394B, LYS394D, LYS398B, LYS398D, PHE194B, PHE194D, PHE348B, PHE348D, PHE351B, PHE351D, PHE371B, PHE371D, SER195B, SER195D, SER196B, SER196D, SER353B, SER353D, SER359B, SER359D, SER392B, SER392D, THR366B, THR366D, TRP354B, TRP354D, TRP362B, TRP362D, TRP374B, TRP374D, TYR397B, TYR397D, VAL352B, VAL352D, VAL364B, VAL364D, VAL391B, VAL391D, VAL393B, VAL393D
• C-D: ALA141C, ALA141D, ALA149C, ALA149D, ALA152C, ALA152D, ALA241C, ALA241D, ALA388C, ALA388D, ALA390C, ALA390D, ARG386C, ARG386D, ARG408C, ARG408D, ASN148C, ASN148D, ASN265D, ASN268D, ASN389C, ASN389D, ASP150C, ASP150D, ASP340C, ASP340D, ASP379C, ASP379D, CYS239C, CYS239D, CYS402C, CYS402D, GLN240C, GLN240D, GLN245C, GLN245D, GLN381C, GLN381D, GLN399C, GLN399D, GLU261C, GLU261D, GLU378C, GLU378D, GLY140C, GLY248C, GLY248D, GLY269D, GLY277C, GLY350C, GLY395C, GLY395D, HIS243C, HIS243D, ILE341C, ILE341D, ILE370C, ILE370D, ILE396C, ILE396D, ILE403C, ILE403D, LEU142C, LEU142D, LEU145C, LEU145D, LEU151C, LEU151D, LEU244C, LEU244D, LEU335C, LEU335D, LEU380C, LEU380D, LEU383C, LEU383D, LEU384C, LEU384D, LEU385C, LEU385D, LEU407C, LEU407D, LEU411C, LEU411D, LYS394D, LYS398C, LYS398D, LYS409C, LYS409D, LYS410C, LYS410D, MET400C, MET400D, MET406C, MET406D, PHE246C, PHE246D, PHE342C, PHE342D, PHE348C, PHE351C, PRO247C, PRO247D, PRO336C, PRO336D, PRO338C, PRO338D, PRO349C, PRO401C, PRO401D, SER242C, SER242D, SER287C, SER339C, SER339D, SER346D, SER377C, SER382C, SER382D, SER392C, SER392D, SER405C, SER405D, THR270D, THR337C, THR337D, THR347C, THR347D, TRP354C, TRP374C, TRP374D, TYR153C, TYR153D, TYR345C, TYR345D, TYR397C, TYR397D, VAL260D, VAL264D, VAL343C, VAL343D, VAL352C, VAL387C, VAL387D, VAL391C, VAL391D, VAL393C, VAL393D, VAL404C, VAL404D