3BOW

structure of m-calpain in complex with calpastatin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 226
  • Norm. En. per Res.: -4.9711
• 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	-110.185	-122.5473	-609.237	-841.9693	225	35	11	25789	5	78	71
A-C	-177.025	-120.6004	-825.847	-1123.4724	226	35	20	30949	11	104	86
B-C	-21.0287	-37.6922	-159.129	-217.8499	52	10	7	6409	2	27	6

Interface residues

• A-B: ALA119B, ALA151B, ALA240B, ALA244B, ALA518A, ALA53A, ALA550A, ALA648A, ALA651A, ARG104B, ARG147B, ARG217B, ARG218B, ARG237B, ARG23A, ARG243B, ARG246B, ARG366A, ARG418A, ARG649A, ARG664A, ARG668A, ASN208B, ASN230B, ASN251B, ASN259B, ASN29A, ASN37A, ASN494A, ASN661A, ASN683A, ASP113B, ASP114B, ASP139B, ASP144B, ASP154B, ASP156B, ASP221B, ASP239B, ASP249B, ASP31A, ASP48A, ASP496A, ASP570A, ASP582A, ASP585A, ASP652A, ASP653A, ASP658A, ASP660A, ASP680A, ASP690A, CYS146B, CYS234B, CYS577A, CYS640A, CYS665A, GLN255B, GLN257B, GLN261B, GLN265B, GLN30A, GLN419A, GLN554A, GLN641A, GLN644A, GLN688A, GLU100B, GLU116B, GLU121B, GLU148A, GLU164B, GLU165B, GLU222B, GLU262B, GLU33A, GLU38A, GLU424A, GLU515A, GLU517A, GLU575A, GLU654A, GLU670A, GLY112B, GLY159B, GLY162B, GLY190A, GLY204B, GLY224B, GLY254B, GLY588A, GLY590A, GLY685A, GLY701A, HIS206B, HIS210B, HIS415A, HIS643A, ILE143B, ILE188A, ILE211B, ILE215B, ILE216B, ILE256B, ILE25A, ILE260B, ILE516A, ILE574A, ILE579A, ILE646A, ILE656A, ILE657A, ILE671A, ILE675A, ILE687A, ILE692A, LEU122B, LEU207B, LEU235B, LEU238B, LEU248B, LEU264B, LEU266B, LEU28A, LEU35A, LEU54A, LEU638A, LEU642A, LEU655A, LEU666A, LEU669A, LEU672A, LEU679A, LEU689A, LEU691A, LEU695A, LEU700A, LEU703A, LYS105B, LYS160B, LYS167B, LYS187A, LYS250B, LYS26A, LYS421A, LYS578A, LYS591A, LYS637A, LYS674A, LYS677A, LYS702A, MET115B, MET123B, MET149B, MET153B, MET214B, MET241B, MET268B, MET422A, MET580A, MET583A, PHE163B, PHE200B, PHE205B, PHE242B, PHE245B, PHE51A, PHE551A, PHE60A, PHE636A, PHE650A, PHE673A, PHE676A, PHE697A, PRO49A, PRO52A, PRO55A, PRO639A, PRO65A, SER118B, SER148B, SER155B, SER213B, SER220B, SER233B, SER247B, SER270B, SER50A, SER56A, SER573A, SER57A, SER589A, SER693A, SER696A, SER698A, THR120B, THR145B, THR157B, THR158B, THR223B, THR253B, THR267B, THR34A, THR576A, THR684A, THR686A, TRP263B, TRP694A, TYR212B, TYR219B, TYR269B, TYR27A, TYR32A, TYR66A, VAL108B, VAL117B, VAL150B, VAL152B, VAL236B, VAL258B, VAL581A, VAL645A, VAL647A, VAL667A, VAL699A
• A-C: ALA101A, ALA109A, ALA199A, ALA247A, ALA248A, ALA252A, ALA263A, ALA458A, ALA539A, ALA542A, ALA562A, ALA575C, ALA606C, ARG337A, ARG375A, ARG416A, ARG417A, ARG420A, ARG457A, ARG459A, ARG461A, ARG469A, ARG536A, ARG558A, ARG559A, ARG564A, ARG586C, ARG612A, ARG615C, ARG618A, ARG624C, ARG71A, ASN286A, ASN376A, ASN379A, ASN451A, ASN467A, ASN629C, ASP104A, ASP162A, ASP243A, ASP249A, ASP425A, ASP463A, ASP566A, ASP573C, ASP574C, ASP577C, ASP581C, ASP597C, ASP598C, ASP615A, ASP616C, ASP617A, ASP617C, ASP628C, CYS240A, CYS374A, CYS98A, GLN290A, GLN413A, GLN540A, GLN585C, GLN587C, GLN605A, GLN608A, GLN99A, GLU164A, GLU193A, GLU202A, GLU251A, GLU339A, GLU460A, GLU470A, GLU490A, GLU552A, GLU565A, GLU571C, GLU578C, GLU602C, GLU607C, GLU610C, GLU613A, GLU614C, GLU622C, GLU626A, GLU62A, GLY100A, GLY103A, GLY163A, GLY197A, GLY198A, GLY239A, GLY261A, GLY289A, GLY430A, GLY432A, GLY533A, GLY543A, GLY584C, GLY613C, GLY620A, GLY72A, HIS169A, HIS262A, HIS427A, HIS608C, HIS625C, ILE242A, ILE244A, ILE429A, ILE433A, ILE466A, ILE548A, ILE556A, ILE567A, ILE604A, ILE604C, ILE614A, ILE619C, ILE73A, LEU102A, LEU107A, LEU108A, LEU165A, LEU166A, LEU195A, LEU454A, LEU468A, LEU537A, LEU541A, LEU553A, LEU557A, LEU561A, LEU572C, LEU576C, LEU579C, LEU583C, LEU58A, LEU596C, LEU600A, LEU612C, LEU626C, LEU627C, LEU63A, LYS161A, LYS260A, LYS450A, LYS563A, LYS568A, LYS599C, LYS601C, LYS603C, LYS605C, LYS606A, LYS609A, LYS611C, LYS69A, MET426A, MET622A, PHE167A, PHE381A, PHE431A, PHE452A, PHE453A, PHE465A, PHE489A, PHE534A, PHE538A, PHE597A, PHE659A, PRO159A, PRO287A, PRO378A, PRO588C, PRO595C, PRO620C, PRO621C, SER105A, SER196A, SER241A, SER246A, SER250A, SER336A, SER449A, SER462A, SER487A, SER580C, SER582C, SER609C, SER619A, SER67A, SER68A, THR160A, THR200A, THR201A, THR245A, THR428A, THR455A, THR456A, THR464A, THR488A, THR555A, THR602A, THR618C, THR621A, THR70A, TRP106A, TRP214A, TRP288A, TRP601A, TYR264A, TYR377A, TYR434A, TYR598A, TYR607A, TYR611A, TYR623C, VAL168A, VAL253A, VAL259A, VAL291A, VAL471A, VAL560A, VAL600C, VAL616A
• B-C: ALA111B, ALA655C, ARG132B, ASN124B, ASN127B, ASN171B, ASP135B, ASP651C, ASP654C, ASP659C, ASP661C, GLN102B, GLN109B, GLN177B, GLN650C, GLU121B, GLU658C, GLU99B, GLY178B, HIS133B, ILE125B, ILE173B, ILE232B, ILE653C, LEU106B, LEU110B, LEU122B, LEU126B, LEU136B, LEU656C, LEU660C, LYS105B, LYS128B, LYS167B, LYS174B, LYS175B, LYS181B, PHE103B, PHE107B, PHE141B, PHE166B, PHE228B, PRO134B, PRO652C, SER657C, THR131B, TRP170B, TRP176B, VAL108B, VAL117B, VAL129B, VAL130B