3H6S

strucure of clitocypin - cathepsin v complex

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 91
  • Norm. En. per Res.: -3.6777
• Hub Node: A(4)

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	-6.6214	-21.8082	-57.3925	-85.8221	30	0	0	1862	2	16	16
A-C	0.0	3.3972	-5.7112	-2.314	24	0	0	626	0	5	7
A-E	-44.3093	-9.5763	-255.48	-309.3656	90	12	3	9274	0	20	14
A-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	4
B-E	0.0	0.0	-0.645	-0.645	4	0	0	102	0	0	3
B-F	-54.0761	-8.5095	-272.083	-334.6686	91	10	3	9484	0	20	16
C-F	-26.3219	-5.5636	-49.0537	-80.9392	42	2	0	2480	2	20	16
C-G	-64.5667	-9.6213	-257.085	-331.273	93	11	3	9279	0	21	16
D-F	-58.7465	-26.437	-177.202	-262.3855	84	14	9	7742	2	18	13
D-H	-45.5155	-11.6278	-250.217	-307.3603	93	6	2	9099	0	21	18
F-H	0.0	-4.2507	-0.3351	-4.5858	14	0	0	64	0	1	4
G-H	-25.4911	-11.3231	-70.4956	-107.3098	38	13	0	3145	3	11	15

Interface residues

• A-B: ALA203A, ALA203B, ASN180A, ASN207A, ASN207B, ASN208B, ASP156A, ASP156B, ASP205A, ASP205B, CYS157A, CYS157B, GLU154A, GLU154B, HIS141A, HIS209A, HIS209B, ILE151A, LYS160B, LYS182A, LYS206A, LYS206B, PHE153A, PHE153B, PRO155A, PRO155B, SER143A, SER158A, SER181A, TYR152A
• A-C: ALA176A, ALA176C, ARG8C, ASN177A, ASN177C, ASN180A, ASN197C, ASP179A, GLU174C, GLY175C, LEU1A, LYS121A, LYS125A, LYS201C, LYS3A, LYS9C, PHE173C, PRO2A, SER149C, SER178A, SER196C, SER4C, THR129A, TYR183C
• A-E: ALA136A, ALA139A, ALA13E, ALA215A, ALA27A, ALA39E, ALA71A, ALA93A, ARG10E, ARG12E, ARG49E, ARG58A, ARG72A, ASN128E, ASN161A, ASN188A, ASN18A, ASN18E, ASN62A, ASN66A, ASP143E, ASP156A, ASP163A, ASP20E, ASP95A, CYS22A, CYS65A, GLN145A, GLN19A, GLN21A, GLN50E, GLN60A, GLN63A, GLU152E, GLU26E, GLU40E, GLU48E, GLY127E, GLY140A, GLY165A, GLY195A, GLY22E, GLY23A, GLY24E, GLY25E, GLY61A, GLY64A, GLY67A, GLY68A, HIS141A, HIS164A, ILE51E, LEU162A, LYS20A, LYS38E, MET137A, MET70A, PHE144A, PHE146A, PHE46E, PHE47E, PHE69A, PRO19E, PRO21E, PRO41E, PRO44E, PRO45E, SER142A, SER143A, SER17E, SER189A, SER24A, SER29A, SER42E, THR150E, THR15E, THR43E, TRP147E, TRP190A, TRP194A, TRP26A, TYR147A, TYR27E, TYR91A, VAL125E, VAL135A, VAL14E, VAL166A, VAL23E, VAL94A
• A-F: ASN177A, THR8F
• B-E: ALA176B, ASN177B, ASN180B, LEU69E
• B-F: ALA136B, ALA139B, ALA13F, ALA215B, ALA27B, ALA39F, ALA71B, ALA93B, ARG10F, ARG12F, ARG49F, ARG58B, ARG72B, ASN128F, ASN161B, ASN188B, ASN18B, ASN18F, ASN62B, ASN66B, ASP138B, ASP143F, ASP163B, ASP20F, ASP95B, CYS22B, CYS65B, GLN145B, GLN19B, GLN21B, GLN50F, GLN60B, GLN63B, GLU152F, GLU26F, GLU40F, GLU48F, GLY127F, GLY140B, GLY165B, GLY195B, GLY22F, GLY23B, GLY24F, GLY25F, GLY61B, GLY64B, GLY67B, GLY68B, HIS141B, HIS164B, ILE51F, LEU162B, LYS20B, LYS38F, MET137B, MET70B, PHE144B, PHE146B, PHE46F, PHE47F, PHE69B, PRO19F, PRO21F, PRO41F, PRO44F, PRO45F, SER142B, SER143B, SER17F, SER189B, SER24B, SER29B, SER42F, THR150F, THR15F, THR16F, THR43F, TRP147F, TRP190B, TRP194B, TRP26B, TYR147B, TYR27F, TYR91B, VAL125F, VAL135B, VAL14F, VAL166B, VAL23F, VAL94B
• C-F: ALA203C, ARG151F, ARG56F, ASN177C, ASN180C, ASN207C, ASN208C, ASN57F, ASP179C, ASP205C, ASP59F, ASP6F, CYS157C, CYS210C, GLN53F, GLN61F, GLN67F, GLU154C, GLU174C, GLU5F, GLU74F, GLY150C, GLY60F, GLY7F, HIS209C, ILE151C, LEU4F, LYS182C, LYS206C, LYS65F, MET1F, PHE153C, PRO155C, SER159C, SER181C, SER3F, SER58F, SER62F, THR55F, THR63F, THR8F, VAL54F
• C-G: ALA136C, ALA139C, ALA13G, ALA215C, ALA27C, ALA39G, ALA71C, ALA93C, ARG10G, ARG12G, ARG148G, ARG49G, ARG58C, ARG72C, ASN128G, ASN129G, ASN161C, ASN188C, ASN18C, ASN18G, ASN62C, ASN66C, ASP138C, ASP143G, ASP163C, ASP20G, ASP95C, CYS22C, CYS65C, GLN145C, GLN19C, GLN21C, GLN50G, GLN63C, GLU152G, GLU26G, GLU31G, GLU40G, GLU48G, GLY127G, GLY140C, GLY165C, GLY195C, GLY22G, GLY23C, GLY24G, GLY25G, GLY61C, GLY64C, GLY67C, GLY68C, HIS141C, HIS164C, ILE51G, LEU162C, LYS20C, LYS38G, MET137C, MET70C, PHE144C, PHE146C, PHE46G, PHE47G, PHE69C, PRO19G, PRO21G, PRO41G, PRO44G, PRO45G, SER142C, SER143C, SER17G, SER189C, SER24C, SER29C, SER42G, THR150G, THR15G, THR29G, THR43G, TRP147G, TRP190C, TRP194C, TRP26C, TYR147C, TYR27G, TYR91C, VAL125G, VAL135C, VAL14G, VAL166C, VAL23G, VAL94C
• D-F: ALA112F, ALA116D, ALA122D, ALA126D, ALA136D, ALA213D, ALA215D, ALA216D, ALA71D, ALA73D, ALA86F, ARG111F, ARG116F, ARG34F, ARG72D, ASN161D, ASN220D, ASN62D, ASP120F, ASP138F, ASP59F, ASP80F, ASP92F, GLN115F, GLN60D, GLN61F, GLN75D, GLN81F, GLN84F, GLU79D, GLU83F, GLU95F, GLY111D, GLY118D, GLY118F, GLY211D, GLY61D, GLY68D, ILE114F, ILE133D, ILE97F, LEU123D, LEU162D, LEU1D, LYS119D, LYS121D, LYS125D, LYS160D, LYS78D, LYS94F, MET124D, MET70D, PHE112D, PHE134F, PHE135F, PHE69D, PHE74D, PRO113F, PRO117D, PRO136F, PRO93F, SER134D, SER158D, SER159D, SER217D, SER58F, SER78F, THR110D, THR113D, THR129D, THR214D, TYR132F, TYR218D, TYR79F, TYR96F, VAL114D, VAL115D, VAL117F, VAL119F, VAL121F, VAL127D, VAL130D, VAL135D, VAL137F
• D-H: ALA136D, ALA139D, ALA13H, ALA215D, ALA27D, ALA39H, ALA71D, ALA93D, ARG10H, ARG12H, ARG148H, ARG151H, ARG49H, ARG58D, ARG72D, ASN128H, ASN161D, ASN188D, ASN18D, ASN18H, ASN62D, ASN66D, ASP106H, ASP138D, ASP156D, ASP163D, ASP20H, ASP95D, CYS22D, CYS65D, GLN145D, GLN19D, GLN21D, GLN50H, GLN63D, GLU152H, GLU26H, GLU31H, GLU40H, GLU48H, GLY127H, GLY140D, GLY165D, GLY195D, GLY22H, GLY23D, GLY24H, GLY25H, GLY61D, GLY64D, GLY67D, GLY68D, HIS141D, HIS164D, ILE51H, LEU162D, LYS20D, LYS38H, MET137D, MET70D, PHE144D, PHE146D, PHE46H, PHE47H, PHE69D, PRO21H, PRO41H, PRO44H, PRO45H, SER142D, SER143D, SER17H, SER189D, SER24D, SER29D, SER42H, THR150H, THR15H, THR29H, THR43H, TRP147H, TRP190D, TRP194D, TRP26D, TYR147D, TYR27H, TYR91D, VAL125H, VAL135D, VAL14H, VAL166D, VAL23H, VAL94D
• F-H: ARG116F, ASN18H, ASP138F, ASP20H, GLN115F, GLY118F, GLY139F, GLY22H, PRO19H, PRO21H, SER17H, VAL117F, VAL137F, VAL23H
• G-H: ALA2G, ALA2H, ARG116H, ARG151G, ARG151H, ARG56G, ARG56H, ASN57G, ASN57H, ASP59G, ASP59H, ASP6G, ASP6H, GLN61G, GLN61H, GLU152G, GLU5G, GLU5H, GLY60G, GLY60H, GLY7G, LEU100H, LEU4G, LEU4H, LEU98H, MET1H, SER3G, SER3H, SER58G, SER58H, SER62G, THR105G, THR55G, THR55H, THR8G, TYR108H, TYR9G, VAL54G