3MX4

dna binding and cleavage by the giy-yig endonuclease r.eco29ki inactive variant e142q

• Total interactions analyzed: 120
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 242
  • Norm. En. per Res.: -3.7928
• 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-G	-2.9516	-17.9151	-54.4948	-75.3615	44	1	2	2420	2	15	13
A-H	-67.4122	8.8622	-748.909	-807.459	235	49	18	28051	7	54	75
B-E	-91.0781	-22.7907	-803.982	-917.8508	242	64	17	29652	7	61	68
B-F	-4.5275	-2.7082	-47.8162	-55.052	47	6	2	2595	0	19	17
C-G	-109.9275	-51.3385	-692.84	-854.106	226	50	19	26870	6	50	73
D-F	-82.8437	-30.0217	-687.678	-800.5433	222	45	18	25681	5	50	65
E-F	-16.3795	8.3776	-124.374	-132.3759	69	8	1	5401	6	34	22
G-H	0.0	0.0	-0.0142	-0.0142	5	0	0	14	0	0	0

Interface residues

• A-G: ALA144G, ALA171A, ALA173A, ALA70G, ARG27G, ARG65G, ARG68G, ASN67G, ASN72G, CYS190A, GLN206A, GLU196A, GLU201A, GLU202A, GLU20G, GLU62G, GLY192A, HIS194A, ILE148G, ILE22G, ILE66G, LEU145G, LEU73G, LYS147G, LYS150G, LYS174A, LYS205A, LYS210A, LYS23G, LYS69G, PHE199A, PHE29G, PRO197A, PRO74G, SER195A, SER209A, SER30G, SER64G, THR191A, TYR149G, TYR198A, TYR63G, VAL193A, VAL26G
• A-H: 4119CB4.0399, ALA132A, ALA132H, ALA143A, ALA143H, ALA144A, ALA144H, ALA167A, ALA167H, ALA171A, ALA171H, ALA173A, ALA173H, ALA25A, ALA25H, ALA46A, ALA46H, ALA97A, ALA97H, ARG126A, ARG126H, ARG14A, ARG14H, ARG169A, ARG169H, ARG203A, ARG203H, ARG27A, ARG27H, ARG42A, ARG42H, ARG86A, ARG86H, ARG89A, ARG8A, ARG8H, ASN154A, ASN154H, ASN15A, ASN15H, ASN162A, ASN162H, ASN212A, ASN3A, ASN3H, ASP136A, ASP136H, ASP158A, ASP158H, ASP16A, ASP16H, ASP176A, ASP24A, ASP24H, ASP7A, ASP7H, ASP92A, CYS121A, CYS125A, CYS125H, GLN142A, GLN142H, GLN172A, GLN172H, GLN206A, GLN206H, GLN44A, GLN44H, GLN87A, GLN87H, GLU10A, GLU10H, GLU131A, GLU131H, GLU20A, GLU20H, GLU41A, GLU41H, GLY134A, GLY134H, GLY159A, GLY166A, GLY166H, GLY168A, GLY168H, GLY192A, GLY192H, GLY31A, GLY31H, GLY45A, GLY45H, GLY47A, GLY47H, GLY84A, GLY84H, GLY98A, GLY98H, HIS11A, HIS11H, HIS2A, HIS2A5, HIS2H, HIS35A, HIS35H, ILE105A, ILE105H, ILE129A, ILE129H, ILE138A, ILE138H, ILE146A, ILE146H, ILE148A, ILE148H, ILE22A, ILE22H, ILE90A, ILE90H, LEU101A, LEU101H, LEU145A, LEU145H, LEU152A, LEU152H, LEU19A, LEU19H, LEU21A, LEU21H, LEU37A, LEU37H, LYS147A, LYS147H, LYS150A, LYS150H, LYS210H, LYS23A, LYS23H, LYS4A, LYS4H, LYS5A, LYS5H, LYS79A, LYS79H, MET137A, MET137H, PHE123A, PHE123H, PHE127A, PHE127H, PHE130A, PHE130H, PHE170A, PHE170H, PHE18A, PHE18H, PHE28A, PHE28H, PHE29A, PHE29H, PHE43A, PHE43H, PHE6A, PHE6H, PRO151A, PRO151H, PRO165A, PRO165H, PRO33A, PRO33H, PRO38A, PRO38H, PRO39A, PRO39H, PRO40A, PRO40H, PRO82A, PRO82H, SER102A, SER102H, SER124A, SER124H, SER135A, SER135H, SER139A, SER139H, SER17A, SER17H, SER209H, SER36A, SER36H, SER88A, SER88H, SER91A, SER99A, SER99H, SER9A, SER9H, THR133A, THR133H, THR140A, THR140H, THR155A, THR155H, THR191A, THR191H, THR32A, THR32H, TRP153A, TRP85A, TRP85H, TYR13A, TYR13H, TYR149H, TYR207H, TYR52A, TYR71A, TYR71H, VAL128A, VAL128H, VAL12A, VAL12H, VAL141A, VAL141H, VAL156A, VAL156H, VAL157A, VAL157H, VAL26A, VAL26H, VAL34A, VAL34H, VAL48A, VAL48H, VAL81A, VAL81H
• B-E: ALA132B, ALA132E, ALA143B, ALA143E, ALA144B, ALA144E, ALA167B, ALA167E, ALA171B, ALA171E, ALA173B, ALA173E, ALA25B, ALA25E, ALA46B, ALA46E, ALA97B, ALA97E, ARG126B, ARG126E, ARG14B, ARG14E, ARG169B, ARG169E, ARG203E, ARG27B, ARG27E, ARG42B, ARG42E, ARG86B, ARG86E, ARG89B, ARG89E, ARG8B, ARG8E, ASN154B, ASN154E, ASN15B, ASN15E, ASN162B, ASN162E, ASN212B, ASN3B, ASN3E, ASP122B, ASP136B, ASP136E, ASP158B, ASP158E, ASP16B, ASP16E, ASP24B, ASP24E, ASP7B, ASP7E, ASP92B, ASP92E, CYS121B, CYS125B, CYS125E, GLN142B, GLN142E, GLN172B, GLN172E, GLN206B, GLN206E, GLN44B, GLN44E, GLN87B, GLN87E, GLU10B, GLU10E, GLU131B, GLU131E, GLU20B, GLU20E, GLU41B, GLU41E, GLY134B, GLY134E, GLY159E, GLY166B, GLY166E, GLY168B, GLY168E, GLY192B, GLY192E, GLY1E, GLY31B, GLY31E, GLY45B, GLY45E, GLY47B, GLY47E, GLY84B, GLY84E, GLY98B, GLY98E, HIS11B, HIS11E, HIS2B, HIS2E, HIS35B, HIS35E, HIS93E, ILE105B, ILE105E, ILE129B, ILE129E, ILE138B, ILE138E, ILE146B, ILE146E, ILE148B, ILE148E, ILE22B, ILE22E, ILE90B, LEU101B, LEU101E, LEU120B, LEU145B, LEU145E, LEU152E, LEU19B, LEU19E, LEU21B, LEU21E, LEU37B, LEU37E, LYS147B, LYS147E, LYS150B, LYS150E, LYS210B, LYS23B, LYS23E, LYS4B, LYS4E, LYS5B, LYS5E, LYS79B, LYS79E, MET137B, MET137E, PHE123B, PHE123E, PHE127B, PHE127E, PHE130B, PHE130E, PHE170B, PHE170E, PHE18B, PHE18E, PHE28B, PHE28E, PHE29B, PHE29E, PHE43B, PHE43E, PHE6B, PHE6E, PRO151B, PRO151E, PRO165B, PRO165E, PRO33B, PRO33E, PRO38B, PRO38E, PRO39B, PRO39E, PRO40B, PRO40E, PRO82B, PRO82E, SER102B, SER102E, SER124B, SER124E, SER135B, SER135E, SER139B, SER139E, SER17B, SER17E, SER209E, SER36B, SER36E, SER88B, SER88E, SER91B, SER91E, SER99B, SER99E, SER9B, SER9E, THR133B, THR133E, THR140B, THR140E, THR155B, THR155E, THR191B, THR191E, THR214B, THR32B, THR32E, THR54B, TRP153B, TRP153E, TRP85B, TRP85E, TYR13B, TYR13E, TYR149E, TYR207B, TYR207E, TYR52B, TYR52E, TYR71B, TYR71E, TYR76B, VAL128B, VAL128E, VAL12B, VAL12E, VAL141B, VAL141E, VAL156B, VAL156E, VAL157E, VAL26B, VAL26E, VAL34B, VAL34E, VAL48B, VAL48E, VAL77B, VAL81B, VAL81E
• B-F: ALA132B, ARG65F, ARG68F, ARG89B, ARG96B, ASN117F, ASP119F, ASP178F, ASP61F, ASP92B, GLN87B, GLU131B, GLU188F, GLU196F, GLU201F, GLU62F, GLU94B, GLY134B, GLY183F, GLY55F, HIS181F, HIS194F, HIS56F, HIS93B, ILE180F, ILE200F, ILE90B, LEU118F, LEU59F, LYS174F, PRO182F, PRO197F, SER116F, SER135B, SER58F, SER64F, SER88B, SER91B, THR115F, THR133B, THR95B, TRP177F, TRP85B, TYR198F, TYR57F, TYR60F, VAL179F
• C-G: ALA132C, ALA132G, ALA143C, ALA143G, ALA144C, ALA144G, ALA167C, ALA167G, ALA171C, ALA171G, ALA173C, ALA173G, ALA25C, ALA25G, ALA46C, ALA46G, ALA70C, ALA83G, ARG126C, ARG126G, ARG14C, ARG14G, ARG169C, ARG169G, ARG203C, ARG203G, ARG27C, ARG27G, ARG42C, ARG42G, ARG86C, ARG86G, ARG89C, ARG89G, ARG8C, ARG8G, ARG96C, ASN154C, ASN154G, ASN15C, ASN15G, ASN162C, ASN162G, ASN3G, ASP122C, ASP136C, ASP136G, ASP158C, ASP158G, ASP16C, ASP16G, ASP176C, ASP24C, ASP24G, ASP7C, ASP7G, ASP92C, CYS121C, CYS125C, CYS125G, GLN142C, GLN142G, GLN172C, GLN172G, GLN206C, GLN44C, GLN44G, GLN87C, GLN87G, GLU10C, GLU10G, GLU131C, GLU131G, GLU20C, GLU20G, GLU41C, GLU41G, GLY134C, GLY134G, GLY159C, GLY159G, GLY161C, GLY166C, GLY166G, GLY168C, GLY168G, GLY192C, GLY192G, GLY31C, GLY31G, GLY45C, GLY45G, GLY47C, GLY47G, GLY84G, GLY98C, GLY98G, HIS11C, HIS11G, HIS2G, HIS35C, HIS35G, ILE105G, ILE129C, ILE129G, ILE138C, ILE138G, ILE146C, ILE146G, ILE148C, ILE22C, ILE22G, ILE90C, ILE90G, LEU101C, LEU101G, LEU145C, LEU145G, LEU152C, LEU152G, LEU19C, LEU19G, LEU21C, LEU21G, LEU37C, LYS147C, LYS147G, LYS150C, LYS150G, LYS23C, LYS23G, LYS4C, LYS4G, LYS5C, LYS5G, LYS79C, LYS79G, MET137C, MET137G, PHE123C, PHE127C, PHE127G, PHE130C, PHE130G, PHE160C, PHE170C, PHE170G, PHE18C, PHE18G, PHE28C, PHE28G, PHE29C, PHE29G, PHE43C, PHE43G, PHE6C, PHE6G, PRO151C, PRO151G, PRO165C, PRO165G, PRO33C, PRO33G, PRO38C, PRO39C, PRO39G, PRO40C, PRO40G, PRO82G, SER102C, SER102G, SER124C, SER135C, SER135G, SER139C, SER139G, SER175C, SER17C, SER17G, SER36C, SER88C, SER88G, SER91C, SER91G, SER99C, SER99G, SER9C, SER9G, THR133C, THR133G, THR140C, THR140G, THR155C, THR155G, THR191C, THR191G, THR32C, THR32G, THR54C, TRP153C, TRP85C, TRP85G, TYR13C, TYR13G, TYR149C, TYR207C, TYR52C, TYR71C, TYR76C, VAL128C, VAL128G, VAL12C, VAL12G, VAL141C, VAL141G, VAL156C, VAL156G, VAL157C, VAL157G, VAL26C, VAL26G, VAL34C, VAL34G, VAL48C, VAL48G, VAL81G
• D-F: ALA132D, ALA132F, ALA143D, ALA143F, ALA144D, ALA144F, ALA167D, ALA167F, ALA171D, ALA171F, ALA173D, ALA173F, ALA25D, ALA25F, ALA46D, ALA46F, ALA83F, ALA97D, ARG126D, ARG126F, ARG14D, ARG14F, ARG169D, ARG169F, ARG203D, ARG203F, ARG27D, ARG27F, ARG42D, ARG42F, ARG86D, ARG86F, ARG89D, ARG89F, ARG8D, ARG8F, ASN154D, ASN154F, ASN15D, ASN15F, ASN162D, ASN162F, ASN212D, ASN3F, ASP136D, ASP136F, ASP158D, ASP158F, ASP16D, ASP16F, ASP176D, ASP24D, ASP24F, ASP7D, ASP7F, ASP92F, CYS121D, CYS125D, CYS125F, GLN142D, GLN142F, GLN172D, GLN172F, GLN206D, GLN44D, GLN44F, GLN87D, GLN87F, GLU10D, GLU10F, GLU131D, GLU131F, GLU20D, GLU20F, GLU41D, GLU41F, GLY134D, GLY134F, GLY159D, GLY159F, GLY161D, GLY166D, GLY166F, GLY168D, GLY168F, GLY192D, GLY192F, GLY31D, GLY31F, GLY45D, GLY45F, GLY47D, GLY47F, GLY84D, GLY84F, GLY98D, HIS11D, HIS11F, HIS2F, HIS35D, HIS35F, ILE129D, ILE129F, ILE138D, ILE138F, ILE146D, ILE146F, ILE148D, ILE22D, ILE22F, ILE90D, ILE90F, LEU101D, LEU101F, LEU145D, LEU145F, LEU152D, LEU19D, LEU19F, LEU21D, LEU21F, LEU37D, LYS147D, LYS147F, LYS150D, LYS150F, LYS210D, LYS23D, LYS23F, LYS4F, LYS5D, LYS5F, LYS79D, LYS79F, MET137D, MET137F, PHE123D, PHE127D, PHE127F, PHE130D, PHE130F, PHE160D, PHE170D, PHE170F, PHE18D, PHE18F, PHE28D, PHE28F, PHE29D, PHE29F, PHE43D, PHE43F, PHE6D, PHE6F, PRO151D, PRO151F, PRO165D, PRO165F, PRO33D, PRO33F, PRO38D, PRO39D, PRO39F, PRO40D, PRO40F, PRO82F, SER102D, SER124D, SER135D, SER135F, SER139D, SER139F, SER17D, SER17F, SER36D, SER88D, SER88F, SER91D, SER91F, SER99D, SER9D, SER9F, THR133D, THR133F, THR140D, THR140F, THR155D, THR155F, THR191D, THR191F, THR32D, THR32F, THR54D, THR95D, TRP153D, TRP85D, TRP85F, TYR13D, TYR13F, TYR149D, TYR207D, TYR207F, TYR52D, TYR71D, TYR76D, VAL128D, VAL128F, VAL12D, VAL12F, VAL141D, VAL141F, VAL156D, VAL156F, VAL157D, VAL193F, VAL26D, VAL26F, VAL34D, VAL34F, VAL48D, VAL48F, VAL81F
• E-F: ALA70E, ARG14E, ARG27E, ARG65E, ARG65F, ARG68E, ARG68F, ASN15E, ASN67E, ASN67F, ASN72E, ASP16E, ASP61F, GLN206E, GLN206F, GLU196F, GLU201F, GLU202F, GLU20E, GLU62E, GLU62F, GLY55F, HIS194F, HIS56F, ILE148E, ILE22E, ILE66E, ILE66F, LEU145E, LEU19E, LEU21E, LEU59F, LEU73E, LYS147E, LYS150E, LYS174F, LYS205F, LYS210E, LYS210F, LYS23E, LYS69F, PHE18E, PHE199F, PHE208E, PHE208F, PRO197F, PRO74E, SER17E, SER195F, SER209E, SER209F, SER211F, SER30E, SER58F, SER64F, THR54F, TYR149E, TYR198F, TYR207E, TYR207F, TYR52E, TYR57F, TYR60F, TYR63E, TYR63F, TYR71E, VAL179F, VAL193F, VAL26E
• G-H: ALA167H, ARG27G, ARG68G, ILE90H, LYS69G