1LYW

cathepsin d at ph 7.5

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 201
  • Norm. En. per Res.: -7.3999
• 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	-395.2022	-17.1189	-1075.05	-1487.3712	201	86	38	38510	5	23	24
A-D	-21.1502	7.7301	-117.267	-130.6871	44	9	6	4957	0	3	4
A-E	-3.8686	2.8068	-62.7756	-63.8374	28	1	0	2310	0	10	5
B-C	-16.925	8.1367	-104.453	-113.2413	44	9	5	4651	0	3	3
B-D	-38.7937	-1.5739	-120.361	-160.7286	45	5	7	4504	0	2	4
C-D	-361.9209	-10.6187	-1044.75	-1417.2896	198	88	42	38674	5	24	25
E-F	-381.7178	-18.5157	-993.67	-1393.9035	199	82	40	37604	3	22	24
E-G	0.0	-2.2838	-17.2954	-19.5792	24	2	0	1220	0	2	4
E-H	-19.3753	5.2125	-85.7888	-99.9516	47	6	1	3056	0	5	8
F-G	-20.0739	6.0687	-83.8694	-97.8746	41	7	1	2879	0	4	7
F-H	-4.8157	0.0	-94.3475	-99.1632	57	4	0	4441	0	6	7
G-H	-342.1329	-10.4755	-1043.2	-1395.8084	201	96	42	38836	2	23	23

Interface residues

• A-B: ALA118B, ALA128B, ALA129B, ALA138B, ALA13A, ALA204B, ALA52A, ARG112B, ARG141B, ARG171B, ARG202B, ARG328B, ARG335B, ASN145B, ASN146B, ASN153B, ASN38A, ASN60A, ASN70A, ASN9A, ASP12A, ASP132B, ASP152B, ASP231B, ASP310B, ASP323B, ASP33A, ASP50A, ASP62A, ASP75A, ASP90A, CYS27A, CYS46A, CYS53A, CYS96A, GLN113B, GLN121B, GLN14A, GLN157B, GLN176B, GLN207B, GLN26A, GLN89A, GLN97A, GLU111B, GLU117B, GLU180B, GLU18A, GLU5A, GLY106B, GLY107B, GLY116B, GLY123B, GLY133B, GLY136B, GLY178B, GLY179B, GLY17A, GLY20A, GLY22A, GLY233B, GLY239B, GLY308B, GLY316B, GLY322B, GLY327B, GLY35A, GLY71A, GLY79A, GLY81A, GLY85A, HIS45A, HIS56A, HIS57A, ILE124B, ILE127B, ILE134B, ILE142B, ILE19A, ILE21A, ILE229B, ILE311B, ILE320B, ILE326B, ILE3A, ILE44A, ILE51A, ILE55A, ILE76A, LEU135B, LEU148B, LEU154B, LEU159B, LEU169B, LEU181B, LEU183B, LEU236B, LEU292B, LEU318B, LEU321B, LEU39A, LEU48A, LEU7A, LEU83A, LEU87A, LYS109B, LYS120B, LYS130B, LYS47A, LYS58A, LYS69A, LYS8A, MET11A, MET137B, MET237B, MET307B, MET309B, PHE115B, PHE126B, PHE131B, PHE151B, PHE165B, PHE167B, PHE28A, PHE306B, PHE325B, PHE32A, PHE333B, PHE74A, PRO122B, PRO140B, PRO149B, PRO177B, PRO24A, PRO25A, PRO312B, PRO42A, PRO4A, PRO95A, SER143B, SER166B, SER170B, SER235B, SER315B, SER36A, SER37A, SER43A, SER61A, SER64A, SER65A, SER73A, SER80A, SER82A, SER84A, SER88A, SER93A, THR119B, THR125B, THR232B, THR234B, THR23A, THR29A, THR331B, THR34A, THR66A, THR72A, THR91A, TRP206B, TRP319B, TRP40A, TRP54A, TYR10A, TYR139B, TYR15A, TYR168B, TYR16A, TYR205B, TYR329B, TYR330B, TYR59A, TYR67A, TYR78A, TYR86A, VAL108B, VAL110B, VAL114B, VAL144B, VAL147B, VAL150B, VAL230B, VAL238B, VAL30A, VAL31A, VAL324B, VAL332B, VAL340B, VAL41A, VAL68A, VAL6A, VAL92A, VAL94A
• A-D: ALA13A, ALA253D, ALA297D, ALA52A, ASP12A, ASP50A, CYS265D, CYS302D, CYS53A, GLN14A, GLN258D, GLN296D, GLU260D, GLU266D, GLY252D, GLY259D, GLY298D, HIS56A, HIS57A, ILE257D, ILE263D, ILE51A, ILE55A, LEU256D, LEU301D, LEU303D, LEU48A, LEU49A, LYS267D, LYS299D, LYS47A, MET11A, MET262D, PRO255D, PRO264D, THR29A, THR300D, TRP54A, TYR10A, TYR16A, TYR261D, VAL254D, VAL268D, VAL294D
• A-E: ASN60A, ASN60E, ASP62A, ASP62E, ASP90E, GLN26A, GLN26E, HIS45A, LYS63A, LYS63E, LYS69E, PRO24A, PRO24E, PRO25E, SER61A, SER61E, SER64A, SER64E, SER65A, SER65E, THR23A, THR23E, THR66A, THR66E, TYR59E, TYR67A, TYR67E, VAL68E
• B-C: ALA13C, ALA253B, ALA297B, ALA52C, ASN9C, ASP12C, ASP50C, CYS265B, CYS302B, CYS53C, GLN14C, GLN258B, GLN296B, GLU260B, GLU266B, GLY252B, GLY259B, GLY298B, HIS56C, HIS57C, ILE257B, ILE263B, ILE51C, ILE55C, LEU256B, LEU301B, LEU303B, LEU48C, LEU49C, LYS267B, LYS299B, LYS47C, MET11C, MET262B, PRO255B, PRO264B, THR29C, THR300B, TRP54C, TYR10C, TYR16C, TYR261B, VAL254B, VAL294B
• B-D: ALA128B, ALA128D, ALA129B, ALA129D, ALA297B, ALA297D, ASP132B, ASP132D, GLN258B, GLN258D, GLN296B, GLN296D, GLU260D, GLY123B, GLY123D, GLY298B, GLY298D, ILE124B, ILE124D, ILE127B, ILE127D, ILE257D, LEU301B, LEU301D, LYS120B, LYS130B, LYS130D, LYS299B, LYS299D, MET262B, MET262D, PHE126B, PHE126D, PHE131B, PHE131D, PRO177B, PRO177D, SER295B, SER295D, THR125B, THR125D, THR300B, THR300D, VAL294B, VAL294D
• C-D: ALA118D, ALA128D, ALA129D, ALA138D, ALA13C, ALA204D, ALA345D, ALA52C, ARG112D, ARG141D, ARG171D, ARG328D, ARG335D, ASN145D, ASN146D, ASN153D, ASN38C, ASN60C, ASN70C, ASN9C, ASP12C, ASP132D, ASP152D, ASP231D, ASP310D, ASP323D, ASP33C, ASP50C, ASP75C, ASP90C, CYS27C, CYS46C, CYS53C, CYS96C, GLN113D, GLN121D, GLN14C, GLN157D, GLN176D, GLN26C, GLN89C, GLN97C, GLU111D, GLU117D, GLU180D, GLU18C, GLU5C, GLY106D, GLY107D, GLY116D, GLY123D, GLY133D, GLY136D, GLY178D, GLY179D, GLY17C, GLY20C, GLY22C, GLY233D, GLY239D, GLY308D, GLY316D, GLY322D, GLY327D, GLY35C, GLY71C, GLY79C, GLY81C, GLY85C, HIS45C, HIS56C, HIS57C, HIS77C, ILE124D, ILE127D, ILE134D, ILE142D, ILE19C, ILE21C, ILE229D, ILE311D, ILE320D, ILE326D, ILE3C, ILE44C, ILE51C, ILE55C, ILE76C, LEU135D, LEU148D, LEU154D, LEU159D, LEU169D, LEU181D, LEU183D, LEU236D, LEU292D, LEU318D, LEU321D, LEU39C, LEU48C, LEU7C, LEU83C, LEU87C, LYS109D, LYS120D, LYS130D, LYS47C, LYS58C, LYS69C, LYS8C, MET11C, MET137D, MET182D, MET237D, MET307D, MET309D, PHE115D, PHE126D, PHE131D, PHE151D, PHE165D, PHE167D, PHE28C, PHE325D, PHE32C, PHE333D, PHE74C, PRO122D, PRO140D, PRO149D, PRO177D, PRO24C, PRO25C, PRO312D, PRO42C, PRO4C, PRO95C, SER143D, SER166D, SER170D, SER235D, SER315D, SER36C, SER37C, SER43C, SER61C, SER64C, SER73C, SER80C, SER82C, SER84C, SER88C, SER93C, THR119D, THR125D, THR232D, THR234D, THR23C, THR29C, THR331D, THR34C, THR66C, THR72C, THR91C, TRP206D, TRP319D, TRP40C, TRP54C, TYR10C, TYR139D, TYR15C, TYR168D, TYR16C, TYR205D, TYR329D, TYR330D, TYR59C, TYR67C, TYR78C, TYR86C, VAL108D, VAL110D, VAL114D, VAL144D, VAL147D, VAL150D, VAL230D, VAL238D, VAL30C, VAL31C, VAL324D, VAL340D, VAL41C, VAL68C, VAL6C, VAL92C, VAL94C
• E-F: ALA118F, ALA128F, ALA129F, ALA138F, ALA13E, ALA204F, ALA345F, ALA52E, ARG112F, ARG141F, ARG202F, ARG328F, ARG335F, ASN145F, ASN146F, ASN153F, ASN38E, ASN60E, ASN70E, ASN9E, ASP12E, ASP132F, ASP152F, ASP231F, ASP310F, ASP323F, ASP33E, ASP50E, ASP75E, ASP90E, CYS27E, CYS46E, CYS53E, CYS96E, GLN113F, GLN121F, GLN14E, GLN157F, GLN176F, GLN207F, GLN26E, GLN89E, GLN97E, GLU111F, GLU117F, GLU180F, GLU18E, GLU5E, GLY106F, GLY107F, GLY116F, GLY123F, GLY133F, GLY136F, GLY178F, GLY179F, GLY17E, GLY20E, GLY22E, GLY233F, GLY239F, GLY308F, GLY316F, GLY322F, GLY327F, GLY35E, GLY71E, GLY81E, GLY85E, HIS45E, HIS56E, HIS57E, HIS77E, ILE124F, ILE127F, ILE134F, ILE142F, ILE19E, ILE21E, ILE229F, ILE311F, ILE320F, ILE326F, ILE3E, ILE44E, ILE51E, ILE55E, ILE76E, LEU135F, LEU148F, LEU154F, LEU159F, LEU169F, LEU181F, LEU183F, LEU236F, LEU292F, LEU318F, LEU321F, LEU39E, LEU48E, LEU7E, LEU83E, LEU87E, LYS109F, LYS120F, LYS130F, LYS293F, LYS47E, LYS58E, LYS69E, LYS8E, MET11E, MET137F, MET182F, MET237F, MET307F, MET309F, PHE115F, PHE126F, PHE131F, PHE151F, PHE165F, PHE167F, PHE28E, PHE325F, PHE32E, PHE333F, PHE74E, PRO122F, PRO140F, PRO149F, PRO177F, PRO24E, PRO25E, PRO312F, PRO42E, PRO4E, PRO95E, SER143F, SER166F, SER170F, SER235F, SER315F, SER36E, SER37E, SER43E, SER61E, SER73E, SER80E, SER82E, SER84E, SER88E, SER93E, THR119F, THR125F, THR232F, THR234F, THR23E, THR29E, THR331F, THR34E, THR66E, THR72E, THR91E, TRP206F, TRP319F, TRP40E, TRP54E, TYR10E, TYR139F, TYR15E, TYR168F, TYR16E, TYR205F, TYR329F, TYR330F, TYR59E, TYR67E, TYR78E, TYR86E, VAL108F, VAL110F, VAL114F, VAL144F, VAL147F, VAL150F, VAL230F, VAL238F, VAL294F, VAL30E, VAL31E, VAL324F, VAL340F, VAL41E, VAL68E, VAL6E, VAL92E, VAL94E
• E-G: ASP75E, ASP75G, GLU5E, GLU5G, GLY79E, GLY79G, GLY81E, GLY81G, HIS77E, HIS77G, ILE76E, ILE76G, LEU7E, LEU7G, PRO4E, PRO4G, SER80E, SER80G, SER82E, SER82G, TYR78E, TYR78G, VAL6E, VAL6G
• E-H: ARG245H, ASN38E, ASN70E, ASP242H, ASP310H, ASP75E, GLN258H, GLU243H, GLU246H, GLU260H, GLU5E, GLY239H, GLY259H, GLY308H, GLY71E, GLY79E, GLY81E, GLY85E, HIS77E, ILE257H, ILE311H, ILE3E, ILE76E, LEU256H, LEU48E, LEU49E, LEU83E, LEU87E, LYS47E, MET307H, MET309H, PHE126H, PHE74E, PRO240H, PRO255H, PRO312H, PRO313H, SER37E, SER73E, SER82E, SER84E, THR72E, TYR261H, TYR78E, TYR86E, VAL241H, VAL244H
• F-G: ARG245F, ASN38G, ASN70G, ASP242F, ASP310F, ASP75G, GLN258F, GLU243F, GLU246F, GLY239F, GLY259F, GLY308F, GLY71G, GLY81G, GLY85G, HIS77G, ILE257F, ILE311F, ILE76G, LEU256F, LEU48G, LEU83G, LEU87G, LYS47G, MET307F, MET309F, PHE74G, PRO240F, PRO255F, PRO312F, PRO313F, SER37G, SER73G, SER82G, SER84G, THR72G, TYR261F, TYR78G, TYR86G, VAL241F, VAL244F
• F-H: ALA204F, ALA204H, ARG141F, ARG141H, ARG202F, ARG202H, ASN145F, ASN145H, ASN146F, ASN146H, ASP242F, ASP242H, ASP310F, ASP310H, GLN258F, GLN258H, GLY259F, GLY259H, GLY316F, GLY316H, ILE142F, ILE142H, ILE257F, ILE257H, ILE311F, ILE311H, LYS120F, LYS120H, LYS203F, LYS203H, MET309F, MET309H, PRO140F, PRO140H, PRO240F, PRO240H, PRO312F, PRO312H, PRO313F, PRO313H, PRO314F, PRO314H, PRO317F, PRO317H, SER143F, SER143H, SER315F, SER315H, TYR139H, TYR205F, TYR205H, VAL144F, VAL144H, VAL147F, VAL147H, VAL241F, VAL241H
• G-H: ALA118H, ALA128H, ALA129H, ALA138H, ALA13G, ALA204H, ALA345H, ALA52G, ARG112H, ARG141H, ARG171H, ARG202H, ARG328H, ARG335H, ASN145H, ASN146H, ASN153H, ASN38G, ASN60G, ASN70G, ASN9G, ASP12G, ASP132H, ASP152H, ASP231H, ASP310H, ASP323H, ASP33G, ASP50G, ASP62G, ASP75G, ASP90G, CYS27G, CYS46G, CYS53G, CYS96G, GLN113H, GLN121H, GLN14G, GLN157H, GLN176H, GLN26G, GLN89G, GLN97G, GLU111H, GLU117H, GLU180H, GLU18G, GLU5G, GLY106H, GLY107H, GLY116H, GLY123H, GLY133H, GLY136H, GLY178H, GLY179H, GLY17G, GLY20G, GLY22G, GLY233H, GLY239H, GLY308H, GLY316H, GLY322H, GLY327H, GLY35G, GLY71G, GLY79G, GLY81G, GLY85G, HIS45G, HIS56G, HIS57G, HIS77G, ILE124H, ILE127H, ILE134H, ILE142H, ILE19G, ILE21G, ILE229H, ILE311H, ILE320H, ILE326H, ILE3G, ILE44G, ILE51G, ILE55G, ILE76G, LEU135H, LEU148H, LEU154H, LEU159H, LEU169H, LEU181H, LEU183H, LEU236H, LEU292H, LEU318H, LEU321H, LEU39G, LEU48G, LEU7G, LEU83G, LEU87G, LYS109H, LYS120H, LYS130H, LYS47G, LYS58G, LYS69G, LYS8G, MET11G, MET137H, MET182H, MET237H, MET307H, MET309H, PHE115H, PHE126H, PHE131H, PHE151H, PHE165H, PHE167H, PHE28G, PHE325H, PHE32G, PHE333H, PHE74G, PRO122H, PRO140H, PRO149H, PRO177H, PRO24G, PRO25G, PRO312H, PRO42G, PRO4G, PRO95G, SER143H, SER166H, SER170H, SER235H, SER315H, SER36G, SER37G, SER43G, SER61G, SER64G, SER73G, SER80G, SER82G, SER84G, SER88G, SER93G, THR119H, THR125H, THR232H, THR234H, THR23G, THR29G, THR331H, THR34G, THR66G, THR72G, THR91G, TRP206H, TRP319H, TRP40G, TRP54G, TYR10G, TYR139H, TYR15G, TYR168H, TYR16G, TYR205H, TYR329H, TYR330H, TYR59G, TYR67G, TYR78G, TYR86G, VAL108H, VAL110H, VAL114H, VAL144H, VAL147H, VAL150H, VAL160H, VAL230H, VAL238H, VAL30G, VAL31G, VAL324H, VAL340H, VAL41G, VAL68G, VAL6G, VAL92G, VAL94G