3DF0

calcium-dependent complex between m-calpain and calpastatin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 46
  • Norm. En. per Res.: -3.7069
• 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	-45.5856	-21.5747	-474.493	-541.6533	188	28	11	21711	2	48	44
A-C	-101.5847	-37.5844	-547.897	-687.0661	195	29	17	23894	2	62	42
B-C	-3.1241	-39.3074	-128.088	-170.5194	46	4	6	5340	2	13	6

Interface residues

• A-B: ALA119B, ALA151B, ALA240B, ALA244B, ALA518A, ALA550A, ALA648A, ALA651A, ARG101B, ARG104B, ARG147B, ARG217B, ARG218B, ARG237B, ARG243B, ARG246B, ARG418A, ARG649A, ARG664A, ARG668A, ASN208B, ASN230B, ASN251B, ASN259B, ASN29A, ASN661A, ASN683A, ASP113B, ASP114B, ASP139B, ASP144B, ASP154B, ASP156B, ASP221B, ASP227B, ASP229B, ASP239B, ASP249B, ASP48A, ASP570A, ASP582A, ASP585A, ASP652A, ASP653A, ASP658A, ASP660A, ASP680A, ASP690A, CYS146B, CYS234B, CYS577A, CYS665A, GLN255B, GLN257B, GLN261B, GLN265B, GLN30A, GLN47A, GLN641A, GLN644A, GLN688A, GLU116B, GLU121B, GLU164B, GLU165B, GLU222B, GLU262B, GLU515A, GLU517A, GLU575A, GLU654A, GLU670A, GLY142B, GLY159B, GLY162B, GLY254B, GLY571A, GLY588A, GLY590A, GLY685A, GLY701A, HIS206B, HIS210B, ILE143B, ILE211B, ILE215B, ILE216B, ILE256B, ILE25A, ILE260B, ILE516A, ILE574A, ILE579A, ILE646A, ILE656A, ILE657A, ILE671A, ILE675A, ILE687A, ILE692A, LEU207B, LEU235B, LEU238B, LEU248B, LEU264B, LEU266B, LEU28A, LEU54A, LEU638A, LEU642A, LEU666A, LEU669A, LEU672A, LEU679A, LEU689A, LEU691A, LEU695A, LEU700A, LYS160B, LYS26A, LYS421A, LYS578A, LYS591A, LYS637A, LYS674A, LYS677A, MET115B, MET149B, MET214B, MET241B, MET268B, MET580A, MET583A, PHE163B, PHE200B, PHE205B, PHE242B, PHE245B, PHE551A, PHE572A, PHE636A, PHE650A, PHE673A, PHE676A, PHE697A, PRO49A, PRO52A, PRO639A, SER118B, SER148B, SER155B, SER213B, SER220B, SER233B, SER247B, SER270B, SER50A, SER56A, SER573A, SER589A, SER693A, SER696A, SER698A, THR120B, THR145B, THR157B, THR158B, THR223B, THR253B, THR267B, THR576A, THR684A, THR686A, TRP263B, TRP694A, TYR212B, TYR219B, TYR269B, TYR27A, VAL150B, VAL152B, VAL236B, VAL258B, VAL581A, VAL645A, VAL647A, VAL667A, VAL699A
• A-C: ALA101A, ALA109A, ALA137C, ALA174C, ALA199A, ALA247A, ALA252A, ALA263A, ALA458A, ALA542A, ALA562A, ARG187C, ARG218A, ARG337A, ARG375A, ARG417A, ARG420A, ARG457A, ARG459A, ARG461A, ARG536A, ARG558A, ARG559A, ARG564A, ARG612A, ARG71A, ASN193C, ASN286A, ASN376A, ASN451A, ASN467A, ASP104A, ASP139C, ASP140C, ASP143C, ASP162A, ASP165C, ASP168C, ASP243A, ASP425A, ASP463A, ASP566A, CYS148C, CYS240A, CYS374A, CYS98A, GLN290A, GLN540A, GLN605A, GLN608A, GLN99A, GLU147C, GLU164A, GLU173C, GLU179C, GLU185C, GLU191C, GLU193A, GLU194C, GLU202A, GLU216A, GLU251A, GLU339A, GLU460A, GLU490A, GLU552A, GLU62A, GLU74A, GLY100A, GLY103A, GLY146C, GLY163A, GLY176C, GLY180C, GLY197A, GLY198A, GLY239A, GLY261A, GLY289A, GLY430A, GLY432A, GLY533A, GLY72A, HIS169A, HIS262A, ILE142C, ILE177C, ILE182C, ILE242A, ILE244A, ILE429A, ILE433A, ILE466A, ILE548A, ILE556A, ILE567A, ILE604A, ILE73A, LEU102A, LEU107A, LEU108A, LEU138C, LEU141C, LEU145C, LEU164C, LEU165A, LEU166A, LEU172C, LEU175C, LEU189C, LEU190C, LEU195A, LEU454A, LEU468A, LEU537A, LEU541A, LEU557A, LEU561A, LEU58A, LEU600A, LEU63A, LYS161A, LYS178C, LYS188C, LYS192C, LYS260A, LYS563A, LYS603A, LYS606A, LYS609A, LYS69A, MET167C, MET426A, PHE167A, PHE381A, PHE431A, PHE452A, PHE453A, PHE465A, PHE489A, PHE534A, PHE538A, PHE597A, PHE659A, PRO166C, PRO183C, PRO184C, PRO287A, PRO378A, SER105A, SER169C, SER170A, SER196A, SER241A, SER246A, SER250A, SER336A, SER462A, SER487A, SER67A, SER68A, THR144C, THR160A, THR170C, THR181C, THR200A, THR201A, THR245A, THR428A, THR455A, THR456A, THR464A, THR488A, THR555A, THR602A, THR70A, TRP106A, TRP214A, TRP288A, TRP601A, TYR171C, TYR186C, TYR264A, TYR377A, TYR434A, TYR598A, TYR607A, VAL162C, VAL163C, VAL168A, VAL253A, VAL259A, VAL291A, VAL485A, VAL560A
• B-C: ALA212C, ALA215C, ARG132B, ASN124B, ASN127B, ASN171B, ASP135B, ASP214C, ASP219C, GLN102B, GLN109B, GLN177B, GLU121B, GLY178B, HIS133B, HIS211C, ILE125B, ILE173B, ILE213C, ILE232B, LEU106B, LEU110B, LEU122B, LEU126B, LEU136B, LEU216C, LYS128B, LYS167B, LYS174B, LYS175B, LYS181B, PHE103B, PHE107B, PHE141B, PHE166B, PHE220C, PHE228B, PRO134B, SER217C, SER218C, THR131B, THR138B, THR221C, TRP170B, VAL129B, VAL130B