1M72

crystal structure of caspase-1 from spodoptera frugiperda

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 192
  • Norm. En. per Res.: -6.5858
• 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-D	-90.8478	-109.822	-114.559	-315.2288	58	13	1	4757	6	24	15
A-B	-355.6805	-57.4734	-851.312	-1264.466	192	54	30	31382	4	38	35
B-E	-83.2421	-103.0786	-125.664	-311.9848	57	13	1	4485	5	24	15
C-F	-82.435	-103.4541	-94.6267	-280.5158	57	15	1	4486	6	24	15

Interface residues

• A-D: ALA177A, ALA268A, ARG182A, ARG224A, ARG228A, ARG79A, ASN225A, ASN267A, ASP181A, ASP270A, ASP501D, ASP504D, ASP85A, CYS178A, GLN176A, GLN179A, GLN234A, GLN276A, GLN277A, GLN279A, GLU138A, GLU265A, GLU502D, GLY137A, GLY180A, GLY229A, GLY81A, HIS136A, HIS275A, HIS68A, ILE175A, LEU134A, LEU142A, LEU183A, LEU76A, LYS77A, MET141A, MET274A, PHE221A, PHE264A, PHE71A, PRO269A, SER215A, SER222A, SER230A, SER266A, SER78A, THR135A, THR216A, THR226A, THR227A, THR80A, THR82A, TRP223A, TRP231A, TYR143A, TYR220A, VAL503D
• A-B: ALA160A, ALA160B, ALA167A, ALA167B, ALA208A, ALA208B, ALA213A, ALA213B, ALA261A, ALA261B, ALA42A, ALA42B, ALA50A, ALA50B, ARG182A, ARG182B, ARG191A, ARG191B, ARG203A, ARG203B, ARG247A, ARG247B, ARG289A, ARG289B, ARG40A, ARG43A, ARG43B, ARG48A, ARG48B, ASN49A, ASN49B, ASP152A, ASP152B, ASP161A, ASP161B, ASP184A, ASP184B, ASP209A, ASP209B, ASP248A, ASP248B, ASP263A, ASP263B, ASP47A, ASP47B, CYS163A, CYS163B, CYS257A, CYS257B, CYS282A, CYS282B, GLN179A, GLN258A, GLN258B, GLN276A, GLN276B, GLN277A, GLN277B, GLN279A, GLN279B, GLU265A, GLU265B, GLY168A, GLY168B, GLY185A, GLY185B, GLY186A, GLY186B, HIS207A, HIS207B, HIS275A, HIS275B, ILE187A, ILE187B, ILE204A, ILE204B, ILE212A, ILE212B, ILE249A, ILE249B, ILE283A, ILE283B, LEU166A, LEU166B, LEU183A, LEU183B, LEU189A, LEU189B, LEU211A, LEU211B, LEU250A, LEU250B, LEU252A, LEU252B, LEU253A, LEU253B, LEU262A, LEU262B, LEU287A, LEU287B, LEU290A, LEU290B, LEU291A, LEU291B, LYS162A, LYS162B, LYS169A, LYS169B, LYS171A, LYS171B, LYS259A, LYS259B, LYS278A, LYS278B, MET286A, MET286B, MET44A, MET44B, PHE210A, PHE210B, PHE214A, PHE214B, PHE255A, PHE255B, PHE264A, PHE264B, PRO164A, PRO164B, PRO205A, PRO205B, PRO218A, PRO218B, PRO281A, PRO281B, PRO45A, PRO45B, PRO51A, PRO51B, SER124A, SER190A, SER190B, SER201A, SER201B, SER266A, SER266B, SER285A, SER285B, THR159A, THR159B, THR165A, THR165B, THR188A, THR188B, THR200B, THR216A, THR216B, THR251A, THR251B, THR254A, THR254B, THR284A, THR284B, THR288A, THR288B, TRP155A, TRP155B, TRP231A, TRP231B, TYR156A, TYR156B, TYR202A, TYR202B, TYR220A, TYR220B, TYR52A, TYR52B, TYR53A, TYR53B, VAL206A, VAL206B, VAL217A, VAL217B, VAL256A, VAL256B, VAL260A, VAL260B, VAL280A, VAL280B, VAL41A, VAL41B, VAL46A, VAL46B
• B-E: ALA177B, ALA268B, ARG182B, ARG224B, ARG228B, ARG79B, ASN225B, ASN267B, ASP181B, ASP270B, ASP501E, ASP504E, ASP85B, CYS178B, GLN176B, GLN179B, GLN234B, GLN276B, GLN277B, GLN279B, GLU138B, GLU265B, GLU502E, GLY137B, GLY180B, GLY229B, GLY81B, HIS136B, HIS275B, HIS68B, LEU134B, LEU142B, LEU183B, LEU76B, LYS77B, MET141B, MET274B, PHE221B, PHE264B, PHE71B, PRO269B, SER215B, SER222B, SER230B, SER266B, SER78B, THR135B, THR216B, THR226B, THR227B, THR80B, THR82B, TRP223B, TRP231B, TYR143B, TYR220B, VAL503E
• C-F: ALA177C, ALA268C, ARG182C, ARG224C, ARG228C, ARG79C, ASN225C, ASN267C, ASP181C, ASP270C, ASP501F, ASP504F, ASP85C, CYS178C, GLN176C, GLN179C, GLN234C, GLN276C, GLN277C, GLN279C, GLU138C, GLU265C, GLU502F, GLY137C, GLY180C, GLY229C, GLY81C, HIS136C, HIS275C, HIS68C, ILE175C, LEU134C, LEU142C, LEU183C, LEU76C, LYS77C, MET274C, PHE221C, PHE264C, PHE71C, PRO269C, SER215C, SER222C, SER230C, SER266C, SER78C, THR135C, THR216C, THR226C, THR227C, THR80C, THR82C, TRP223C, TRP231C, TYR143C, TYR220C, VAL503F