3MHS

structure of the saga ubp8/sgf11/sus1/sgf73 dub module bound to ubiquitin aldehyde

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 238
  • Norm. En. per Res.: -4.9583
• 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	-47.1209	-7.6354	-275.354	-330.1102	123	10	8	10816	1	27	28
A-C	-108.3232	-25.9875	-507.616	-641.9267	183	21	14	20567	2	25	22
A-D	-142.185	-112.3845	-502.289	-756.8585	156	27	6	18890	6	53	63
A-E	-234.4857	-27.2856	-918.293	-1180.0642	238	39	15	34654	0	64	68
B-C	-8.6179	-39.5041	-356.937	-405.059	117	11	22	17365	5	19	16
B-E	-38.6022	-20.8806	-155.857	-215.3398	58	6	7	6272	1	26	22
C-E	-14.6083	-23.8194	-61.7951	-100.2228	44	13	3	3154	2	9	15

Interface residues

• A-B: ALA31B, ALA56A, ALA6B, ARG32B, ARG468A, ASN105A, ASN21B, ASN27B, ASN387A, ASN42A, ASN471A, ASN53A, ASN57B, ASN70A, ASN88A, ASN90A, ASN91A, ASP101A, ASP398A, ASP408A, ASP40B, ASP44B, CYS46A, CYS49A, CYS96A, CYS99A, GLN11B, GLN13B, GLN14B, GLN35B, GLN438A, GLN452A, GLN469A, GLN60B, GLN7B, GLN84B, GLU100A, GLU18B, GLU23B, GLU28B, GLU36B, GLU38A, GLU396A, GLU412A, GLU51A, GLU54B, GLU66B, GLY104A, GLY20B, GLY37B, GLY436A, GLY437A, GLY55A, HIS50A, HIS71A, ILE12B, ILE25B, ILE409A, ILE410A, ILE434A, ILE467A, ILE52A, ILE61B, LEU16B, LEU24B, LEU29B, LEU33B, LEU34B, LEU386A, LEU41A, LEU62B, LEU70B, LEU75A, LEU8B, LEU93A, LYS30B, LYS37A, LYS389A, LYS399A, LYS39A, LYS405A, LYS41B, LYS433A, LYS43B, LYS45A, LYS47B, LYS9B, MET1A, MET388A, MET44A, MET50B, PHE40A, PHE58A, PHE58B, PHE88B, PHE95A, PHE97A, PRO36A, PRO383A, PRO407A, SER10B, SER19B, SER26B, SER2A, SER435A, SER54A, SER55B, SER63B, THR384A, THR56B, THR59B, TRP38B, TRP69A, TYR102A, TYR15B, TYR22B, TYR317A, TYR385A, TYR411A, VAL17B, VAL35A, VAL39B, VAL470A
• A-C: ALA0A, ALA223A, ALA231A, ALA29C, ALA56A, ALA82C, ALA86C, ALA87C, ARG132A, ARG133A, ARG212A, ARG28A, ARG30C, ARG41C, ARG468A, ARG46C, ARG84C, ARG91C, ARG95C, ASN105A, ASN110A, ASN141A, ASN17C, ASN18C, ASN211A, ASN229A, ASN443A, ASN53A, ASN59C, ASN70A, ASN75C, ASN83C, ASN88A, ASN90A, ASN91A, ASP101A, ASP107A, ASP111A, ASP134A, ASP180A, ASP26C, ASP444A, ASP44C, ASP51C, ASP57C, CYS222A, CYS4A, CYS68A, CYS73C, CYS92C, CYS99A, GLN213A, GLN228A, GLN25C, GLN34C, GLN35C, GLN36C, GLN438A, GLN469A, GLN62C, GLN64C, GLN65C, GLN69C, GLN90C, GLU131A, GLU31C, GLU453A, GLU454A, GLU51A, GLU66C, GLU74C, GLY104A, GLY135A, GLY138A, GLY143A, GLY14C, GLY232A, GLY436A, GLY54C, GLY55A, GLY60C, GLY92A, HIS427A, HIS71A, HIS72C, HIS88C, ILE103A, ILE106A, ILE140A, ILE15C, ILE217A, ILE24C, ILE27C, ILE3A, ILE434A, ILE450A, ILE52A, ILE58C, ILE71C, LEU136A, LEU19C, LEU20C, LEU219A, LEU220A, LEU23C, LEU31A, LEU37C, LEU38C, LEU45C, LEU56C, LEU61C, LEU85C, LEU89C, LEU93A, LEU93C, LEU94A, LYS225A, LYS39A, LYS39C, LYS441A, LYS63C, MET126A, MET130A, MET142A, MET148A, MET1A, MET446A, MET44A, PHE147A, PHE216A, PHE40A, PHE440A, PHE442A, PHE50C, PHE58A, PHE95A, PRO128A, PRO43C, PRO52C, SER129A, SER137A, SER144A, SER209A, SER234A, SER2A, SER435A, SER445A, SER448A, SER449A, SER451A, SER47C, SER54A, SER55C, SER67C, SER68C, SER81C, SER89A, SER94C, THR145A, THR210A, THR214A, THR21C, THR221A, THR22C, THR32C, THR33C, THR40C, THR57A, TRP118A, TRP224A, TRP439A, TRP69A, TYR102A, TYR218A, TYR233A, TYR42C, TYR48C, TYR49C, TYR70C, VAL127A, VAL28C, VAL447A, VAL80C
• A-D: ALA238A, ALA345A, ALA460A, ALA46D, ARG364A, ARG374A, ARG42D, ARG72D, ARG74D, ASN227A, ASN229A, ASN247A, ASN333A, ASN370A, ASN373A, ASN424A, ASN60D, ASP237A, ASP301A, ASP305A, ASP309A, ASP321A, ASP331A, ASP377A, ASP39D, CYS146A, CYS319A, GLN235A, GLN236A, GLN243A, GLN248A, GLN251A, GLN2D, GLN31D, GLN328A, GLN348A, GLN361A, GLN40D, GLN41D, GLN459A, GLN49D, GLN62D, GLU16D, GLU240A, GLU280A, GLU327A, GLU34D, GLU366A, GLU425A, GLU51D, GLU64D, GLY10D, GLY232A, GLY281A, GLY35D, GLY371A, GLY421A, GLY426A, GLY47D, GLY75D, HIS239A, HIS250A, HIS276A, HIS324A, HIS335A, HIS367A, HIS419A, HIS427A, HIS68D, ILE13D, ILE246A, ILE287A, ILE300A, ILE310A, ILE36D, ILE3D, ILE44D, ILE61D, LEU15D, LEU230A, LEU283A, LEU304A, LEU306A, LEU308A, LEU329A, LEU349A, LEU362A, LEU368A, LEU369A, LEU376A, LEU43D, LEU462A, LEU50D, LEU67D, LEU69D, LEU71D, LEU73D, LEU8D, LYS11D, LYS269A, LYS297A, LYS311A, LYS313A, LYS325A, LYS330A, LYS33D, LYS347A, LYS363A, LYS375A, LYS420A, LYS48D, LYS63D, LYS6D, MET148A, MET1D, PHE147A, PHE241A, PHE244A, PHE279A, PHE303A, PHE323A, PHE332A, PHE365A, PHE45D, PHE4D, PRO302A, PRO37D, SER144A, SER234A, SER282A, SER285A, SER286A, SER307A, SER322A, SER372A, SER418A, SER65D, THR12D, THR145A, THR14D, THR298A, THR299A, THR422A, THR66D, THR7D, THR9D, TRP242A, TYR334A, TYR428A, TYR461A, TYR59D, VAL275A, VAL417A, VAL423A, VAL5D, VAL70D
• A-E: ALA112A, ALA197A, ALA26A, ALA27A, ALA39E, ALA62E, ALA86E, ALA89E, ARG132A, ARG133A, ARG163A, ARG177A, ARG28A, ARG468A, ARG51E, ARG76E, ASN110A, ASN158A, ASN172A, ASN199A, ASN25A, ASN268A, ASN29E, ASN32A, ASN42A, ASN471A, ASN50E, ASN59E, ASN61E, ASN90A, ASN91A, ASP107A, ASP111A, ASP120A, ASP134A, ASP188A, ASP30E, ASP408A, ASP41E, ASP47E, ASP67E, ASP70E, ASP92E, CYS122A, CYS185A, CYS24A, CYS271A, CYS273A, CYS392A, CYS432A, CYS46A, CYS49A, CYS60A, CYS63A, CYS66A, CYS78E, CYS81E, GLN168A, GLN270A, GLN438A, GLN45E, GLN469A, GLN62A, GLN63E, GLN74E, GLN80A, GLU131A, GLU193A, GLU272A, GLU280A, GLU38A, GLU396A, GLU412A, GLU52E, GLU66E, GLU79E, GLU95E, GLY135A, GLY196A, GLY19A, GLY26E, GLY281A, GLY404A, GLY415A, GLY436A, GLY437A, GLY47A, GLY64A, GLY67A, GLY82E, GLY86A, HIS157A, HIS164A, HIS170A, HIS192A, HIS276A, HIS33A, HIS352A, HIS48E, HIS50A, HIS93E, ILE113A, ILE156A, ILE162A, ILE169A, ILE190A, ILE274A, ILE30A, ILE351A, ILE409A, ILE410A, ILE414A, ILE434A, ILE467A, ILE65E, ILE73E, ILE81A, ILE87A, ILE90E, LEU108A, LEU114A, LEU194A, LEU198A, LEU304A, LEU31A, LEU354A, LEU358A, LEU35E, LEU413A, LEU41A, LEU44E, LEU54E, LEU61A, LEU64E, LEU69E, LEU85E, LEU87E, LEU93A, LEU94E, LYS116A, LYS124A, LYS189A, LYS22A, LYS269A, LYS33E, LYS353A, LYS37A, LYS389A, LYS395A, LYS397A, LYS39A, LYS405A, LYS40E, LYS433A, LYS45A, LYS55E, LYS56E, LYS71E, LYS80E, LYS83E, MET126A, MET166A, MET36E, MET388A, MET44A, MET49E, MET59A, PHE161A, PHE279A, PHE303A, PHE40A, PHE58A, PHE58E, PHE65A, PHE74A, PRO128A, PRO159A, PRO27E, PRO302A, PRO355A, PRO36A, PRO407A, PRO43E, PRO60E, PRO68E, PRO72E, PRO84E, SER129A, SER165A, SER167A, SER171A, SER282A, SER28E, SER31E, SER34A, SER34E, SER356A, SER37E, SER38E, SER393A, SER435A, SER53E, SER89A, THR123A, THR125A, THR200A, THR23A, THR277A, THR394A, THR42E, THR43A, THR466A, THR48A, THR57A, THR88E, TRP118A, TRP32E, TYR117A, TYR160A, TYR195A, TYR19E, TYR29A, TYR385A, TYR411A, TYR46E, TYR57E, TYR75E, VAL121A, VAL127A, VAL191A, VAL275A, VAL278A, VAL357A, VAL35A, VAL406A, VAL470A, VAL77E, VAL91E
• B-C: ALA29C, ALA31B, ALA69B, ALA6B, ARG30C, ARG78B, ARG86B, ASN13C, ASN17C, ASN18C, ASN21B, ASN27B, ASN51B, ASN53B, ASN57B, ASP26C, ASP40B, ASP44B, ASP94B, ASP9C, GLN11B, GLN13B, GLN25C, GLN34C, GLN35C, GLN36C, GLN60B, GLN84B, GLU23B, GLU28B, GLU31C, GLU36B, GLU3C, GLU49B, GLU4C, GLU54B, GLU66B, GLU71B, GLU79B, GLU87B, GLU90B, GLU91B, GLY14C, ILE11C, ILE12B, ILE15C, ILE24C, ILE25B, ILE27C, ILE61B, ILE6C, ILE85B, ILE8C, ILE92B, LEU16B, LEU16C, LEU19C, LEU20C, LEU23C, LEU29B, LEU33B, LEU34B, LEU37C, LEU38C, LEU45B, LEU62B, LEU70B, LEU82B, LEU89B, LEU8B, LYS30B, LYS39C, LYS41B, LYS43B, LYS47B, LYS68B, LYS83B, LYS9B, MET50B, MET72B, PHE58B, PHE88B, PRO67B, SER10B, SER10C, SER12C, SER26B, SER47C, SER48B, SER55B, SER63B, SER74B, THR21C, THR22C, THR32C, THR33C, THR40C, THR46B, THR56B, THR59B, THR5B, THR64B, THR77B, THR7C, THR80B, THR95B, TRP38B, TYR15B, TYR22B, VAL17B, VAL28C, VAL39B, VAL42B, VAL65B, VAL73B, VAL81B, VAL93B
• B-E: ALA31B, ALA6E, ARG86B, ASN21B, ASN27B, ASN50E, ASP47E, ASP5E, ASP67E, ASP70E, ASP94B, GLN11B, GLN13B, GLN14B, GLN7B, GLU18B, GLU18E, GLU23B, GLU66E, GLU7E, GLU90B, GLU91B, GLY10E, GLY20B, GLY26E, HIS48E, ILE11E, ILE12B, ILE16E, ILE8E, ILE92B, LEU16B, LEU24B, LEU34B, LEU69E, LEU89B, LEU8B, LYS12E, LYS14E, LYS30B, LYS43B, LYS47B, LYS71E, LYS9B, LYS9E, MET49E, PRO13E, PRO72E, SER10B, SER19B, SER20E, SER26B, THR95B, TYR15B, TYR19E, VAL15E, VAL17B, VAL93B
• C-E: ALA6E, ARG30C, ARG41C, ARG76E, ASN13C, ASP26C, ASP47E, ASP5E, ASP67E, ASP70E, ASP9C, GLN34C, GLN74E, GLU31C, GLU4C, GLU66E, GLU7E, GLY10E, HIS48E, ILE11C, ILE11E, ILE27C, ILE6C, ILE73E, ILE8C, ILE8E, LEU23C, LEU37C, LEU38C, LEU69E, LEU87E, LYS12E, LYS71E, LYS9E, PRO72E, SER10C, SER12C, THR33C, THR5C, THR7C, TYR42C, TYR48C, TYR75E, VAL77E