1NX1

calpain domain vi complexed with calpastatin inhibitory domain c (dic)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 54
  • Norm. En. per Res.: -4.6711
• 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	-93.9138	41.9888	-574.725	-626.65	166	29	6	23132	0	44	36
A-C	-31.6099	-43.3087	-177.323	-252.2415	54	16	6	6886	2	17	1
B-D	-19.1661	-24.868	-183.571	-227.6051	53	5	6	6766	1	16	2

Interface residues

• A-B: ALA115A, ALA147A, ALA236A, ALA240A, ALA415B, ALA447B, ALA536B, ALA540B, ARG143A, ARG213A, ARG214A, ARG233A, ARG239A, ARG443B, ARG513B, ARG514B, ARG533B, ARG539B, ASN204A, ASN221A, ASN226A, ASN255A, ASN504B, ASN521B, ASN526B, ASN555B, ASP135A, ASP140A, ASP150A, ASP152A, ASP217A, ASP223A, ASP225A, ASP235A, ASP245A, ASP435B, ASP440B, ASP450B, ASP452B, ASP517B, ASP523B, ASP525B, ASP535B, ASP545B, ASP547B, CYS142A, CYS230A, CYS442B, CYS530B, GLN251A, GLN253A, GLN257A, GLN261A, GLN551B, GLN553B, GLN557B, GLN561B, GLU205A, GLU218A, GLU258A, GLU412B, GLU518B, GLU558B, GLY136A, GLY138A, GLY155A, GLY250A, GLY436B, GLY438B, GLY455B, GLY520B, GLY550B, HIS202A, HIS206A, HIS502B, HIS506B, ILE139A, ILE211A, ILE212A, ILE252A, ILE256A, ILE439B, ILE511B, ILE512B, ILE552B, ILE556B, LEU203A, LEU207A, LEU231A, LEU234A, LEU244A, LEU260A, LEU262A, LEU503B, LEU507B, LEU531B, LEU534B, LEU544B, LEU560B, LEU562B, LYS156A, LYS242A, LYS456B, LYS542B, MET145A, MET210A, MET222A, MET237A, MET264A, MET445B, MET510B, MET522B, MET537B, MET564B, PHE137A, PHE196A, PHE201A, PHE238A, PHE241A, PHE437B, PHE496B, PHE501B, PHE538B, PHE541B, SER114A, SER144A, SER151A, SER209A, SER216A, SER229A, SER266A, SER414B, SER444B, SER451B, SER509B, SER516B, SER529B, SER566B, THR116A, THR141A, THR153A, THR154A, THR249A, THR263A, THR416B, THR441B, THR453B, THR454B, THR549B, THR563B, TRP259A, TRP559B, TYR208A, TYR215A, TYR265A, TYR508B, TYR515B, TYR565B, VAL146A, VAL148A, VAL232A, VAL254A, VAL446B, VAL448B, VAL532B, VAL554B
• A-C: ALA104A, ALA107A, ALA174A, ALA602C, ALA605C, ARG101A, ARG128A, ASN120A, ASN123A, ASN167A, ASN168A, ASP131A, ASP601C, ASP604C, ASP609C, GLN105A, GLN173A, GLN178A, GLN98A, GLU117A, HIS129A, ILE121A, ILE169A, ILE175A, ILE228A, ILE603C, LEU102A, LEU106A, LEU118A, LEU122A, LEU132A, LEU606C, LYS124A, LYS163A, LYS170A, LYS171A, LYS177A, PHE103A, PHE137A, PHE162A, PHE224A, PHE610C, PHE99A, SER607C, SER608C, THR127A, THR134A, THR611C, TRP166A, TRP172A, TYR176A, VAL113A, VAL125A, VAL126A
• B-D: ALA404B, ALA407B, ALA474B, ALA702D, ALA705D, ARG401B, ARG428B, ASN420B, ASN423B, ASN467B, ASN468B, ASP431B, ASP701D, ASP704D, ASP709D, GLN405B, GLN473B, GLN478B, GLU417B, HIS429B, ILE421B, ILE469B, ILE475B, ILE528B, ILE703D, LEU402B, LEU406B, LEU418B, LEU422B, LEU432B, LEU706D, LYS424B, LYS463B, LYS470B, LYS471B, LYS477B, PHE399B, PHE403B, PHE437B, PHE462B, PHE524B, PHE710D, SER707D, SER708D, THR427B, THR434B, THR711D, TRP466B, TRP472B, TYR476B, VAL413B, VAL425B, VAL426B