3S5U

crystal structure of crispr associated protein

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 158
  • Norm. En. per Res.: -4.2694
• Hub Node: A(5)

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-C	-5.8036	4.3493	-99.2408	-100.6951	50	10	0	4033	3	21	25
A-D	-4.5728	-9.8664	-34.0804	-48.5196	48	0	0	2001	0	24	4
A-E	-9.4454	39.7634	-31.4006	-1.0826	33	1	0	1446	1	12	20
A-F	-13.2438	19.7939	-244.585	-238.0349	102	8	15	10619	0	24	19
A-G	-127.2712	-6.0608	-541.239	-674.571	158	31	25	23875	8	48	69
B-C	-20.4633	17.6846	-249.059	-251.8377	104	16	16	10549	0	23	19
B-D	-76.0208	60.7402	-497.975	-513.2556	154	24	26	22797	7	52	69
C-E	-108.8883	0.4387	-520.059	-628.5086	158	33	26	23293	11	47	70
C-G	-12.1721	39.7287	-38.0673	-10.5106	33	1	0	1546	2	12	20
C-H	0.0	-3.0766	-16.5765	-19.6531	39	3	0	1383	0	17	5
D-E	-43.9117	27.26	-251.544	-268.1956	106	15	16	11044	0	23	20
D-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	1	1
F-H	-113.0779	-1.333	-537.211	-651.622	160	32	25	23730	10	50	66
G-H	-11.5959	11.9533	-236.246	-235.8886	102	10	18	10483	0	25	21

Interface residues

• A-C: ASP118A, ASP118C, GLN106A, GLN106C, GLU111A, GLU111C, GLU114A, GLU114C, GLU116A, GLU116C, GLU121A, GLU121C, GLU98A, GLU98C, GLY102A, GLY102C, GLY109A, GLY109C, HIS115A, HIS115C, ILE104A, ILE104C, ILE108A, ILE108C, ILE97A, ILE97C, LEU100A, LEU100C, LEU107A, LEU107C, LEU112A, LEU112C, LEU113A, LEU113C, LYS94A, LYS94C, LYS99A, LYS99C, MET117A, MET96A, SER105A, SER105C, SER95A, SER95C, THR101A, THR101C, THR103A, THR103C, TYR110A, TYR110C
• A-D: ALA85A, ARG156A, ARG2A, ASN188A, ASN189A, ASN211D, ASN42D, ASN88A, ASP209D, ASP82A, ASP89A, GLN26D, GLN51A, GLN86A, GLU10D, GLU210D, GLU41D, GLU58A, GLU84A, GLU9D, GLY81A, HIS30D, LEU158A, LEU208D, LEU214D, LEU46A, LEU54A, LEU78A, LEU7D, LEU8D, LYS160A, LYS162A, LYS16A, LYS33D, LYS52A, LYS55A, LYS77A, LYS94A, PHE212D, PHE5D, PRO11D, SER159A, SER215D, SER6D, THR57A, TYR157A, TYR213D, VAL190A
• A-E: ALA85A, ASN88A, ASP142E, ASP176E, ASP89A, GLN153E, GLN180E, GLN86A, GLN86E, GLU138E, GLU146E, GLU177E, GLU84A, GLU92A, GLU98A, ILE125A, ILE144E, LEU100E, LEU173E, LEU87A, LYS90A, LYS94A, LYS99A, MET149E, PHE145E, PRO91A, SER141E, SER95A, THR143E, THR174E, TYR110A, TYR184E, VAL181E
• A-F: ALA169A, ALA169F, ALA29A, ALA29F, ARG198A, ARG198F, ASN168A, ASN168F, ASP142A, ASP142F, ASP176A, ASP176F, ASP24A, ASP24F, ASP64A, ASP64F, CYS170A, CYS170F, GLN197A, GLN197F, GLN201A, GLN201F, GLN26A, GLN26F, GLN37A, GLN37F, GLU138F, GLU146A, GLU146F, GLU175A, GLU175F, GLU177A, GLU177F, GLU196A, GLU196F, GLY67A, GLY67F, HIS30A, HIS30F, ILE144A, ILE144F, ILE167A, ILE167F, ILE22A, ILE35A, ILE35F, ILE65A, ILE65F, LEU173A, LEU173F, LEU195A, LEU195F, LEU31A, LEU31F, LEU34A, LEU34F, LEU66A, LEU66F, LYS147A, LYS23A, LYS33A, LYS33F, PHE145A, PHE145F, PHE28A, PHE28F, SER141A, SER141F, SER27A, SER27F, THR139A, THR139F, THR140A, THR140F, THR143A, THR143F, THR171A, THR171F, THR174A, THR174F, THR63A, THR63F, TYR172A, TYR172F, TYR36A, TYR36F, TYR68A, TYR68F, VAL178A, VAL178F, VAL199A, VAL199F, VAL200A, VAL200F, VAL25A, VAL25F, VAL32A, VAL32F, VAL61A, VAL61F, VAL62A, VAL62F
• A-G: ALA132A, ALA132G, ALA85A, ALA85G, ARG156A, ARG156G, ASN188A, ASN188G, ASN71A, ASN71G, ASN88A, ASN88G, ASP118A, ASP118G, ASP122A, ASP122G, ASP142A, ASP142G, ASP82A, ASP82G, GLN106A, GLN106G, GLN127A, GLN127G, GLN153A, GLN153G, GLN86A, GLN86G, GLU111A, GLU111G, GLU114A, GLU114G, GLU116A, GLU116G, GLU120A, GLU120G, GLU121A, GLU121G, GLU128A, GLU128G, GLU138A, GLU138G, GLU146A, GLU146G, GLU150A, GLU150G, GLU84A, GLU84G, GLU92A, GLU92G, GLU98A, GLU98G, GLY102A, GLY102G, GLY109A, GLY109G, GLY123A, GLY123G, GLY134A, GLY134G, GLY81A, GLY81G, HIS115A, HIS115G, HIS155A, HIS155G, ILE104A, ILE104G, ILE108A, ILE108G, ILE124A, ILE124G, ILE125A, ILE125G, ILE135A, ILE135G, ILE137A, ILE137G, ILE151A, ILE151G, ILE79A, ILE79G, ILE97A, ILE97G, LEU100A, LEU100G, LEU107A, LEU107G, LEU112A, LEU112G, LEU113A, LEU113G, LEU119A, LEU119G, LEU129A, LEU129G, LEU133A, LEU133G, LEU76A, LEU76G, LEU78A, LEU78G, LEU83A, LEU83G, LEU87A, LEU87G, LYS131A, LYS131G, LYS136A, LYS136G, LYS147A, LYS90A, LYS90G, LYS94A, LYS94G, LYS99A, LYS99G, MET117A, MET117G, MET149A, MET149G, MET96A, MET96G, PHE130A, PHE130G, SER105A, SER105G, SER141A, SER141G, SER95G, THR101A, THR101G, THR103A, THR103G, THR139A, THR139G, THR140A, THR140G, THR152A, THR152G, THR75A, THR75G, TYR110A, TYR110G, TYR157A, TYR157G, TYR184A, TYR184G, TYR80A, TYR80G, VAL126A, VAL126G, VAL154A, VAL154G, VAL70A, VAL70G, VAL93A, VAL93G
• B-C: ALA169B, ALA169C, ALA29B, ALA29C, ARG198B, ARG198C, ASN168B, ASN168C, ASP142B, ASP142C, ASP176B, ASP176C, ASP24B, ASP24C, ASP39B, ASP64B, ASP64C, CYS170B, CYS170C, GLN180B, GLN197B, GLN197C, GLN201B, GLN201C, GLN26B, GLN26C, GLN37B, GLN37C, GLU146B, GLU146C, GLU175B, GLU175C, GLU177B, GLU177C, GLU196B, GLU196C, GLY67B, GLY67C, HIS30B, HIS30C, ILE144B, ILE144C, ILE167B, ILE167C, ILE22C, ILE35B, ILE35C, ILE65B, ILE65C, LEU173B, LEU173C, LEU195B, LEU195C, LEU31B, LEU31C, LEU34B, LEU34C, LEU66B, LEU66C, LYS147C, LYS23C, LYS33B, LYS33C, PHE145B, PHE145C, PHE28B, PHE28C, SER141B, SER141C, SER27B, SER27C, THR139B, THR139C, THR140B, THR140C, THR143B, THR143C, THR171B, THR171C, THR174B, THR174C, THR21B, THR63B, THR63C, TYR172B, TYR172C, TYR36B, TYR36C, TYR68B, TYR68C, VAL178B, VAL178C, VAL199B, VAL199C, VAL200B, VAL200C, VAL25B, VAL25C, VAL32B, VAL32C, VAL61B, VAL61C, VAL62B, VAL62C
• B-D: ALA132B, ALA132D, ARG156B, ARG156D, ASN188B, ASN188D, ASN71B, ASN71D, ASP118B, ASP118D, ASP122B, ASP122D, ASP142B, ASP142D, ASP82B, ASP82D, GLN106B, GLN106D, GLN127B, GLN127D, GLN153B, GLN153D, GLN86B, GLN86D, GLU111B, GLU111D, GLU114B, GLU114D, GLU116B, GLU116D, GLU120B, GLU120D, GLU121B, GLU121D, GLU128B, GLU128D, GLU138B, GLU138D, GLU146B, GLU146D, GLU150B, GLU150D, GLU84B, GLU84D, GLU92B, GLU92D, GLU98B, GLU98D, GLY102B, GLY102D, GLY109B, GLY109D, GLY123B, GLY123D, GLY134B, GLY134D, HIS115B, HIS115D, HIS155D, ILE104B, ILE104D, ILE108B, ILE108D, ILE124B, ILE124D, ILE125B, ILE125D, ILE135B, ILE135D, ILE137B, ILE137D, ILE151B, ILE151D, ILE79B, ILE79D, ILE97B, ILE97D, LEU100B, LEU100D, LEU107B, LEU107D, LEU112B, LEU112D, LEU113B, LEU113D, LEU119B, LEU119D, LEU129B, LEU129D, LEU133B, LEU133D, LEU187B, LEU187D, LEU76B, LEU76D, LEU78B, LEU78D, LEU83B, LEU83D, LEU87B, LEU87D, LYS131B, LYS131D, LYS136B, LYS136D, LYS147B, LYS147D, LYS90B, LYS90D, LYS94B, LYS94D, LYS99B, LYS99D, MET117B, MET117D, MET149B, MET149D, MET96B, MET96D, PHE130B, PHE130D, SER105B, SER105D, SER141B, SER141D, SER95B, THR101B, THR101D, THR103B, THR103D, THR139B, THR139D, THR140B, THR140D, THR152B, THR152D, THR75B, THR75D, TYR110B, TYR110D, TYR157B, TYR157D, TYR184B, TYR184D, TYR80B, TYR80D, VAL126B, VAL126D, VAL154B, VAL154D, VAL70B, VAL70D, VAL93B, VAL93D
• C-E: ALA132C, ALA132E, ALA85E, ARG156C, ARG156E, ASN188C, ASN188E, ASN71C, ASN71E, ASN88C, ASN88E, ASP118C, ASP118E, ASP122C, ASP122E, ASP142C, ASP142E, ASP82C, ASP82E, ASP89E, GLN106C, GLN106E, GLN127C, GLN127E, GLN153C, GLN153E, GLN86C, GLN86E, GLU111C, GLU111E, GLU114C, GLU114E, GLU116C, GLU116E, GLU120C, GLU120E, GLU121C, GLU121E, GLU128C, GLU128E, GLU138C, GLU138E, GLU146C, GLU146E, GLU150C, GLU150E, GLU84C, GLU84E, GLU92C, GLU92E, GLU98C, GLU98E, GLY102C, GLY102E, GLY109C, GLY109E, GLY123C, GLY123E, GLY134C, GLY134E, GLY81C, GLY81E, HIS115C, HIS115E, HIS155C, HIS155E, ILE104C, ILE104E, ILE108C, ILE108E, ILE124C, ILE124E, ILE125C, ILE125E, ILE135C, ILE135E, ILE137C, ILE137E, ILE151C, ILE151E, ILE79C, ILE79E, ILE97C, ILE97E, LEU100C, LEU100E, LEU107C, LEU107E, LEU112C, LEU112E, LEU113C, LEU113E, LEU119C, LEU119E, LEU129C, LEU129E, LEU133C, LEU133E, LEU158E, LEU76C, LEU76E, LEU78C, LEU78E, LEU83C, LEU83E, LEU87C, LEU87E, LYS131C, LYS131E, LYS136C, LYS136E, LYS90C, LYS90E, LYS94C, LYS94E, LYS99C, LYS99E, MET117C, MET117E, MET149C, MET149E, MET96C, MET96E, PHE130C, PHE130E, SER105C, SER105E, SER141C, SER141E, SER95E, THR101C, THR101E, THR103C, THR103E, THR139C, THR139E, THR140C, THR140E, THR152C, THR152E, THR75C, THR75E, TYR110C, TYR110E, TYR157C, TYR157E, TYR184C, TYR184E, TYR80C, TYR80E, VAL126C, VAL126E, VAL154C, VAL154E, VAL70C, VAL70E, VAL93C, VAL93E
• C-G: ALA85C, ASN88C, ASP142G, ASP176G, ASP89C, GLN153G, GLN180G, GLN86C, GLN86G, GLU138G, GLU146G, GLU177G, GLU84C, GLU92C, GLU98C, ILE125C, LEU100G, LEU173G, LEU87C, LYS90C, LYS94C, LYS99C, MET149G, MET96G, PHE145G, PRO91C, SER141G, THR143G, THR174G, TYR110C, TYR184G, VAL181G, VAL93G
• C-H: ALA85C, ARG156C, ARG2C, ASN188C, ASN189C, ASN211H, ASN88C, ASP191C, ASP209H, ASP82C, ASP89C, GLN26H, GLN86C, GLU10H, GLU210H, GLU43H, GLU58C, GLU84C, GLY53C, LEU158C, LEU208H, LEU214H, LEU54C, LEU78C, LEU7H, LEU8H, LYS160C, LYS162C, LYS33H, LYS52C, LYS55C, LYS77C, PHE212H, SER159C, SER215H, THR57C, TYR157C, TYR213H, VAL190C
• D-E: ALA169D, ALA169E, ALA29D, ALA29E, ARG198D, ARG198E, ASN168D, ASN168E, ASP142D, ASP142E, ASP176D, ASP176E, ASP24D, ASP24E, ASP64D, ASP64E, CYS170D, CYS170E, GLN180D, GLN197D, GLN197E, GLN201D, GLN201E, GLN26D, GLN26E, GLN37D, GLN37E, GLU138D, GLU138E, GLU146D, GLU146E, GLU175D, GLU175E, GLU177D, GLU177E, GLU196D, GLU196E, GLY67D, GLY67E, HIS30D, HIS30E, ILE144D, ILE144E, ILE167D, ILE167E, ILE22D, ILE22E, ILE35D, ILE35E, ILE65D, ILE65E, LEU173D, LEU173E, LEU195D, LEU195E, LEU31D, LEU31E, LEU34D, LEU34E, LEU66D, LEU66E, LYS147E, LYS23D, LYS23E, LYS33D, LYS33E, PHE145D, PHE145E, PHE28D, PHE28E, SER141D, SER141E, SER27D, SER27E, THR139D, THR139E, THR140D, THR140E, THR143D, THR143E, THR171D, THR171E, THR174D, THR174E, THR21E, THR63D, THR63E, TYR172D, TYR172E, TYR36D, TYR36E, TYR68D, TYR68E, VAL178D, VAL178E, VAL199D, VAL199E, VAL200D, VAL25D, VAL25E, VAL32D, VAL32E, VAL61D, VAL61E, VAL62D, VAL62E
• D-H: LYS55D, LYS55H
• F-H: ALA132F, ALA132H, ALA85H, ARG156F, ARG156H, ASN188F, ASN188H, ASN71F, ASN71H, ASN88F, ASN88H, ASP118F, ASP118H, ASP122F, ASP122H, ASP142F, ASP142H, ASP82F, ASP82H, ASP89F, ASP89H, GLN106F, GLN106H, GLN127F, GLN127H, GLN153F, GLN153H, GLN86F, GLN86H, GLU111F, GLU111H, GLU114F, GLU114H, GLU116F, GLU116H, GLU120F, GLU120H, GLU121F, GLU121H, GLU128F, GLU128H, GLU138F, GLU138H, GLU146F, GLU146H, GLU150F, GLU150H, GLU84F, GLU84H, GLU92F, GLU92H, GLU98F, GLU98H, GLY102F, GLY102H, GLY109F, GLY109H, GLY123F, GLY123H, GLY134F, GLY134H, GLY81F, GLY81H, HIS115F, HIS115H, HIS155F, HIS155H, ILE104F, ILE104H, ILE108F, ILE108H, ILE124F, ILE124H, ILE125F, ILE125H, ILE135F, ILE135H, ILE137F, ILE137H, ILE151F, ILE151H, ILE79F, ILE79H, ILE97F, ILE97H, LEU100F, LEU100H, LEU107F, LEU107H, LEU112F, LEU112H, LEU113F, LEU113H, LEU119F, LEU119H, LEU129F, LEU129H, LEU133F, LEU133H, LEU187H, LEU76F, LEU76H, LEU78F, LEU78H, LEU83F, LEU83H, LEU87F, LEU87H, LYS131F, LYS131H, LYS136F, LYS136H, LYS147F, LYS147H, LYS90F, LYS90H, LYS94F, LYS94H, LYS99F, LYS99H, MET117F, MET117H, MET149F, MET149H, MET96F, MET96H, PHE130F, PHE130H, SER105F, SER105H, SER141F, SER141H, THR101F, THR101H, THR103F, THR103H, THR139F, THR139H, THR140F, THR140H, THR152F, THR152H, THR75F, THR75H, TYR110F, TYR110H, TYR157F, TYR157H, TYR184F, TYR184H, TYR80F, TYR80H, VAL126F, VAL126H, VAL154F, VAL154H, VAL70F, VAL70H, VAL93F, VAL93H
• G-H: ALA169G, ALA169H, ALA29G, ALA29H, ARG198G, ARG198H, ASN168G, ASN168H, ASP142G, ASP142H, ASP176G, ASP176H, ASP24G, ASP24H, ASP64G, ASP64H, CYS170G, CYS170H, GLN197G, GLN197H, GLN201G, GLN201H, GLN26G, GLN26H, GLN37G, GLN37H, GLU146G, GLU146H, GLU175G, GLU175H, GLU177G, GLU177H, GLU196G, GLU196H, GLY67G, GLY67H, HIS30G, HIS30H, ILE144G, ILE144H, ILE167G, ILE167H, ILE22G, ILE35G, ILE35H, ILE65G, ILE65H, LEU173G, LEU173H, LEU195G, LEU195H, LEU31G, LEU31H, LEU34G, LEU34H, LEU66G, LEU66H, LYS147G, LYS147H, LYS23G, LYS33G, LYS33H, PHE145G, PHE145H, PHE28G, PHE28H, SER141G, SER141H, SER27G, SER27H, THR139G, THR139H, THR140G, THR140H, THR143G, THR143H, THR171G, THR171H, THR174G, THR174H, THR63G, THR63H, TYR172G, TYR172H, TYR36G, TYR36H, TYR68G, TYR68H, VAL178G, VAL178H, VAL199G, VAL199H, VAL200G, VAL200H, VAL25G, VAL25H, VAL32G, VAL32H, VAL61G, VAL61H, VAL62G, VAL62H