3NIC

dna binding and cleavage by the giy-yig endonuclease r.eco29ki inactive variant y49f

• Total interactions analyzed: 120
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 237
  • Norm. En. per Res.: -3.7325
• Hub Node: C(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-H	-97.6339	-15.4637	-771.499	-884.5966	237	53	18	28059	8	61	82
B-D	-117.8418	-19.5085	-716.624	-853.9743	229	56	19	27563	7	60	76
C-G	-60.9092	36.3135	-713.317	-737.9127	217	48	19	27077	4	57	77
C-H	0.0	14.1796	-81.3495	-67.1699	37	6	1	2727	0	16	14
D-E	-9.3004	-12.0486	-60.9134	-82.2624	41	8	3	3449	1	16	15
E-F	-77.2429	33.3795	-736.251	-780.1144	229	64	20	28022	4	55	73
G-H	0.0	0.0	-0.1135	-0.1135	4	0	0	27	0	0	0

Interface residues

• A-H: 9117CB5.4302, ALA132A, ALA132H, ALA143A, ALA143H, ALA144A, ALA144H, ALA167A, ALA167H, ALA171A, ALA171H, ALA173A, ALA173H, ALA25A, ALA25H, ALA46A, ALA46H, ALA83A, ALA97H, ARG126A, ARG126H, ARG14A, ARG14H, ARG169A, ARG169H, ARG203A, ARG203H, ARG27A, ARG27H, ARG42A, ARG42H, ARG86A, ARG86H, ARG89A, ARG89H, ARG8A, ARG8H, ARG96H, ASN154A, ASN154H, ASN15A, ASN15H, ASN162A, ASN162H, ASN3A, ASN3H, ASP136A, ASP136H, ASP158A, ASP158H, ASP16A, ASP16H, ASP176A, ASP24A, ASP24H, ASP7A, ASP7H, ASP92A, ASP92H, CYS121H, CYS125A, CYS125H, CYS190A, GLN172A, GLN172H, GLN206H, GLN44A, GLN44H, GLN87A, GLN87H, GLU10A, GLU10H, GLU131A, GLU131H, GLU142A, GLU142H, GLU20A, GLU20H, GLU41A, GLU41H, GLY134A, GLY134H, GLY159A, GLY159H, GLY161H, GLY166A, GLY166H, GLY168A, GLY168H, GLY192A, GLY192H, GLY31A, GLY31H, GLY45A, GLY45H, GLY47A, GLY47H, GLY84A, GLY84H, GLY98A, GLY98H, HIS11A, HIS11H, HIS2A, HIS2A5, HIS2H, HIS35A, HIS35H, 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, 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, SER102A, SER102H, SER124A, SER124H, SER135A, SER135H, SER139A, SER139H, SER175H, SER17A, SER17H, SER36A, SER36H, SER88A, SER88H, SER91A, SER99A, SER99H, SER9A, SER9H, THR133A, THR133H, THR140A, THR140H, THR155A, THR155H, THR191A, THR191H, THR32A, THR32H, THR54H, TRP153A, TRP153H, TRP85A, TRP85H, TYR13A, TYR13H, TYR149H, TYR207H, TYR52H, TYR71A, TYR71H, TYR76H, VAL128A, VAL128H, VAL12A, VAL12H, VAL141A, VAL141H, VAL156A, VAL156H, VAL157A, VAL157H, VAL26A, VAL26H, VAL34A, VAL34H, VAL48A, VAL48H, VAL81A
• B-D: ALA132B, ALA132D, ALA143B, ALA143D, ALA144B, ALA144D, ALA167B, ALA167D, ALA171B, ALA171D, ALA173B, ALA173D, ALA25B, ALA25D, ALA46B, ALA46D, ALA83B, ALA97B, ALA97D, ARG126B, ARG126D, ARG14B, ARG14D, ARG169B, ARG169D, ARG203B, ARG203D, ARG27B, ARG27D, ARG42B, ARG42D, ARG86B, ARG86D, ARG89B, ARG89D, ARG8B, ARG8D, ASN154B, ASN154D, ASN15B, ASN15D, ASN162B, ASN162D, ASN3B, ASN3D, ASP136B, ASP136D, ASP158B, ASP158D, ASP16B, ASP16D, ASP24B, ASP24D, ASP7B, ASP7D, CYS125B, CYS125D, CYS190D, GLN172B, GLN172D, GLN206D, GLN44B, GLN44D, GLN87B, GLN87D, GLU10B, GLU10D, GLU131B, GLU131D, GLU142B, GLU142D, GLU20B, GLU20D, GLU41B, GLU41D, GLY134B, GLY134D, GLY159B, GLY159D, GLY161D, GLY166B, GLY166D, GLY168B, GLY168D, GLY192B, GLY192D, GLY31B, GLY31D, GLY45B, GLY45D, GLY47B, GLY47D, GLY84B, GLY98B, GLY98D, HIS11B, HIS11D, HIS163B, HIS163D, HIS2B, HIS2D, HIS35B, HIS35D, ILE129B, ILE129D, ILE138B, ILE138D, ILE146B, ILE146D, ILE148B, ILE148D, ILE22B, ILE22D, ILE90B, ILE90D, LEU101B, LEU101D, LEU145B, LEU152B, LEU152D, LEU19B, LEU19D, LEU21B, LEU21D, LEU37B, LEU37D, LYS147B, LYS147D, LYS150B, LYS150D, LYS210D, LYS23B, LYS23D, LYS4B, LYS4D, LYS5B, LYS5D, LYS79B, LYS79D, MET137B, MET137D, PHE123D, PHE127B, PHE127D, PHE130B, PHE130D, PHE170B, PHE170D, PHE18B, PHE18D, PHE28B, PHE28D, PHE29B, PHE29D, PHE43B, PHE43D, PHE6B, PHE6D, PRO151B, PRO151D, PRO165B, PRO165D, PRO33B, PRO33D, PRO38B, PRO38D, PRO39B, PRO39D, PRO40B, PRO40D, PRO82B, SER102B, SER102D, SER124B, SER124D, SER135B, SER135D, SER139B, SER139D, SER17B, SER17D, SER36B, SER36D, SER88B, SER88D, SER91B, SER91D, SER99B, SER99D, SER9B, SER9D, THR133B, THR133D, THR140B, THR140D, THR155B, THR155D, THR191B, THR191D, THR32B, THR32D, TRP153B, TRP153D, TRP85B, TRP85D, TYR13B, TYR13D, TYR149D, TYR207D, TYR71B, TYR71D, TYR76D, VAL128B, VAL128D, VAL12B, VAL12D, VAL141B, VAL141D, VAL156B, VAL156D, VAL157B, VAL157D, VAL26B, VAL26D, VAL34B, VAL34D, VAL48B, VAL48D, VAL81B
• C-G: ALA132C, ALA132G, ALA143C, ALA143G, ALA144C, ALA144G, ALA167C, ALA167G, ALA171C, ALA171G, ALA173C, ALA173G, ALA25C, ALA25G, ALA46C, ALA46G, ALA83C, ALA97C, ARG126C, ARG126G, ARG14C, ARG14G, ARG169C, ARG169G, ARG203G, ARG27C, ARG27G, ARG42C, ARG42G, ARG86C, ARG86G, ARG89C, ARG89G, ARG8C, ARG8G, ASN154C, ASN154G, ASN15C, ASN15G, ASN162C, ASN162G, ASN3C, ASN3G, ASP136C, ASP136G, ASP158G, ASP16C, ASP16G, ASP24C, ASP24G, ASP7C, ASP7G, CYS121G, CYS125C, CYS125G, GLN172C, GLN172G, GLN206G, GLN44C, GLN44G, GLN87C, GLN87G, GLU10C, GLU10G, GLU131C, GLU131G, GLU142C, GLU142G, GLU20C, GLU20G, GLU41C, GLU41G, GLY134C, GLY134G, GLY166C, GLY166G, GLY168C, GLY168G, GLY192C, GLY192G, GLY31C, GLY31G, GLY45C, GLY45G, GLY47C, GLY47G, GLY84C, GLY84G, GLY98C, GLY98G, HIS11C, HIS11G, HIS163C, HIS163G, HIS2C, HIS2G, HIS35C, HIS35G, ILE129C, ILE129G, ILE138C, ILE138G, ILE146C, ILE146G, ILE148C, ILE148G, ILE22C, ILE22G, ILE90G, LEU101C, LEU101G, LEU145C, LEU145G, LEU19C, LEU19G, LEU21C, LEU21G, LEU37C, LEU37G, LYS147C, LYS147G, LYS150C, LYS150G, LYS210C, LYS23C, LYS23G, LYS4C, LYS4G, LYS5C, LYS5G, LYS79C, LYS79G, MET137C, MET137G, PHE123C, PHE123G, PHE127C, PHE127G, PHE130C, PHE130G, PHE170C, PHE170G, PHE18C, PHE18G, PHE28C, PHE28G, PHE29C, PHE29G, PHE43C, PHE43G, PHE6C, PHE6G, PRO151C, PRO151G, PRO165C, PRO165G, PRO33C, PRO33G, PRO38C, PRO38G, PRO39C, PRO39G, PRO40C, PRO40G, PRO82C, PRO82G, SER102C, SER102G, SER124C, SER124G, SER135C, SER135G, SER139C, SER139G, SER17C, SER17G, SER36C, SER36G, SER88C, SER88G, SER99C, SER99G, SER9C, SER9G, THR133C, THR133G, THR140C, THR140G, THR155C, THR155G, THR191C, THR191G, THR32C, THR32G, TRP85C, TRP85G, TYR13C, TYR13G, TYR207G, TYR71C, TYR71G, VAL128C, VAL128G, VAL12C, VAL12G, VAL141C, VAL141G, VAL156C, VAL156G, VAL26C, VAL26G, VAL34C, VAL34G, VAL48C, VAL48G, VAL81C, VAL81G
• C-H: ALA70C, ARG203H, ARG65C, ARG68C, ASN67C, ASN72C, ASP61C, GLN206C, GLN206H, GLU196H, GLU201H, GLU202H, GLU62C, HIS194H, ILE180H, ILE200H, ILE66C, LEU73C, LYS174H, LYS205C, LYS210C, LYS69C, PHE199H, PHE208C, PRO182H, PRO197H, PRO74C, SER195H, SER209C, SER64C, TYR149C, TYR198H, TYR207C, TYR63C, TYR71C, VAL179H, VAL193H
• D-E: ALA173E, ALA70D, ARG203E, ARG65D, ARG68D, ASN67D, ASN72D, ASP176E, ASP61D, GLN206E, GLU196E, GLU201E, GLU202E, GLU62D, HIS194E, ILE148D, ILE180E, ILE200E, ILE66D, LEU59E, LEU73D, LYS150D, LYS205D, LYS205E, LYS210D, LYS69D, PHE199E, PHE208D, PRO151D, PRO197E, PRO74D, SER195E, SER209D, SER58E, TYR149D, TYR198E, TYR207D, TYR57E, TYR63D, VAL179E, VAL193E
• E-F: ALA132E, ALA132F, ALA143E, ALA143F, ALA144E, ALA144F, ALA167E, ALA167F, ALA171E, ALA171F, ALA173E, ALA173F, ALA25E, ALA25F, ALA46E, ALA46F, ALA83F, ALA97E, ALA97F, ARG126E, ARG126F, ARG14E, ARG14F, ARG169E, ARG169F, ARG203E, ARG27E, ARG27F, ARG42E, ARG42F, ARG86E, ARG86F, ARG89E, ARG89F, ARG8E, ARG8F, ASN154E, ASN154F, ASN15E, ASN15F, ASN162E, ASN162F, ASN3E, ASN3F, ASP122F, ASP136E, ASP136F, ASP158E, ASP16E, ASP16F, ASP24E, ASP24F, ASP7E, ASP7F, CYS121E, CYS121F, CYS125E, CYS125F, GLN172E, GLN172F, GLN206E, GLN44E, GLN44F, GLN87E, GLN87F, GLU10E, GLU10F, GLU131E, GLU131F, GLU142E, GLU142F, GLU20E, GLU20F, GLU41E, GLU41F, GLY134E, GLY134F, GLY166E, GLY166F, GLY168E, GLY168F, GLY192E, GLY192F, GLY1E, GLY31E, GLY31F, GLY45E, GLY45F, GLY47E, GLY47F, GLY84E, GLY84F, GLY98E, GLY98F, HIS11E, HIS11F, HIS163E, HIS163F, HIS2E, HIS2F, HIS35E, HIS35F, ILE129E, ILE129F, ILE138E, ILE138F, ILE146E, ILE146F, ILE148E, ILE148F, ILE22E, ILE22F, ILE90F, LEU101E, LEU101F, LEU120F, LEU145E, LEU145F, LEU152E, LEU19E, LEU19F, LEU21E, LEU21F, LEU37E, LEU37F, LYS147E, LYS147F, LYS150E, LYS150F, LYS210F, LYS23E, LYS23F, LYS4E, LYS4F, LYS5E, LYS5F, LYS79E, LYS79F, MET137E, MET137F, PHE123E, PHE123F, PHE127E, PHE127F, PHE130E, PHE130F, PHE170E, PHE170F, PHE18E, PHE18F, PHE28E, PHE28F, PHE29E, PHE29F, PHE43E, PHE43F, PHE6E, PHE6F, PRO151E, PRO151F, PRO165E, PRO165F, PRO33E, PRO33F, PRO38E, PRO38F, PRO39E, PRO39F, PRO40E, PRO40F, PRO82E, PRO82F, SER102E, SER102F, SER124E, SER124F, SER135E, SER135F, SER139E, SER139F, SER17E, SER17F, SER36E, SER36F, SER88E, SER88F, SER91F, SER99E, SER99F, SER9E, SER9F, THR133E, THR133F, THR140E, THR140F, THR155E, THR155F, THR191E, THR191F, THR32E, THR32F, THR54F, TRP85E, TRP85F, TYR13E, TYR13F, TYR149E, TYR149F, TYR207E, TYR52F, TYR71E, TYR71F, VAL128E, VAL128F, VAL12E, VAL12F, VAL141E, VAL141F, VAL156E, VAL157E, VAL26E, VAL26F, VAL34E, VAL34F, VAL48E, VAL48F, VAL77F, VAL81E, VAL81F
• G-H: ASN117H, ASP92G, HIS93G, SER116H