3SR2

crystal structure of human xlf-xrcc4 complex

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 214
  • Norm. En. per Res.: -4.5472
• Hub Node: C(3)

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	0.0	-27.1665	-43.6773	-70.8438	85	33	4	9807	3	24	18
B-C	-6.8353	6.7987	74.2713	74.2347	53	41	5	4913	2	21	8
B-H	-10.0238	-3.204	-21.0751	-34.3029	37	17	0	1827	0	5	7
C-D	-20.9209	-50.6652	-846.638	-918.224	212	89	40	37847	3	56	52
C-G	-6.8261	5.4449	-62.0818	-63.4629	36	14	8	2969	0	7	8
C-H	0.0	-5.7133	-7.8381	-13.5514	21	0	0	602	0	11	3
D-F	0.0	0.0	-0.7066	-0.7066	11	0	0	96	0	2	3
E-F	0.0	6.2758	-95.3662	-89.0904	87	33	4	9908	3	25	19
F-G	-20.6249	3.3989	-128.268	-145.494	52	11	4	5734	4	16	10
G-H	-41.4771	-47.974	-883.64	-973.0911	214	94	38	38536	4	58	52

Interface residues

• A-B: ALA120A, ALA120B, ALA135A, ALA135B, ALA139A, ALA42B, ARG124A, ARG124B, ARG7A, ARG7B, ASN118A, ASN118B, ASN137A, ASN137B, ASP132A, ASP132B, ASP38A, ASP38B, CYS128A, CYS128B, CYS130A, CYS130B, GLN138A, GLN138B, GLU117A, GLU117B, GLU121A, GLU121B, GLU125A, GLU125B, GLU136A, GLU13A, GLU13B, GLY39A, GLY39B, HIS18A, HIS18B, HIS40A, HIS40B, ILE123A, ILE123B, ILE127A, ILE127B, ILE134A, ILE134B, ILE16A, ILE16B, ILE5A, ILE5B, ILE8A, ILE8B, LEU126A, LEU126B, LEU131A, LEU131B, LEU20A, LEU20B, LYS115B, LYS140B, LYS4A, LYS4B, LYS90A, LYS90B, PHE19A, PHE19B, PRO119A, PRO119B, SER15A, SER15B, SER41A, SER41B, SER6A, SER6B, SER76A, SER76B, THR133A, THR133B, THR17A, THR17B, THR37A, THR37B, TYR129A, TYR129B, VAL122A, VAL122B
• B-C: ALA56B, ALA60B, ALA67C, ALA70C, ALA71C, ARG107B, ARG109C, ARG64C, ASN100B, ASN62C, ASP103B, ASP57B, ASP58B, CYS74C, GLN54B, GLU111C, GLU55B, GLU62B, GLU69B, GLU98B, GLY109B, GLY114C, HIS75C, LEU101B, LEU108B, LEU112C, LEU115C, LEU61C, LEU65C, LYS102B, LYS63C, LYS65B, LYS72B, LYS99B, MET59B, MET61B, PHE106B, PHE111B, PHE117C, PHE72C, PHE96B, PHE97B, PRO116C, PRO68C, PRO69C, SER105B, SER110B, SER113C, THR66C, TYR118C, TYR66B, TYR94B, VAL104B
• B-H: ARG107B, ASN112B, ASN87B, CYS93B, GLN32H, GLN6H, GLU13B, GLU2H, GLU3H, GLU91B, GLU98B, GLY-1H, GLY109B, GLY7H, ILE29H, LEU108B, LEU4H, LYS31H, LYS90B, MET10H, MET1H, PHE106B, PHE111B, PHE28H, PHE88B, PHE95B, PHE96B, PHE97B, SER0H, SER105B, SER110B, SER12B, SER89B, SER92B, THR30H, TYR94B, VAL11B
• C-D: ALA126C, ALA126D, ALA145C, ALA145D, ALA154C, ALA154D, ALA172C, ALA172D, ALA201C, ALA201D, ALA220C, ALA220D, ARG137C, ARG137D, ARG151C, ARG151D, ARG176C, ARG176D, ARG178C, ARG178D, ASN213C, ASN213D, ASP102C, ASP102D, ASP161C, ASP161D, ASP166C, ASP166D, ASP177C, ASP177D, ASP206C, ASP206D, ASP216C, ASP216D, ASP40C, ASP40D, CYS148C, CYS148D, CYS202C, CYS202D, GLN133C, GLN133D, GLN147C, GLN147D, GLN149C, GLN149D, GLN165C, GLN165D, GLN168C, GLN168D, GLN192C, GLN192D, GLN215C, GLN215D, GLN224C, GLN224D, GLN42C, GLN42D, GLN43C, GLN43D, GLU152C, GLU152D, GLU163C, GLU163D, GLU169C, GLU169D, GLU182C, GLU182D, GLU185C, GLU185D, GLU186C, GLU186D, GLU191C, GLU191D, GLU196C, GLU196D, GLU200C, GLU200D, GLY141C, GLY141D, GLY171C, GLY171D, GLY205C, GLY205D, GLY207C, GLY207D, HIS158C, HIS158D, ILE136C, ILE136D, ILE164C, ILE164D, ILE175C, ILE175D, ILE195C, ILE195D, ILE204C, ILE204D, LEU125C, LEU125D, LEU130C, LEU130D, LEU135C, LEU135D, LEU139C, LEU139D, LEU144C, LEU144D, LEU146C, LEU146D, LEU153C, LEU153D, LEU156C, LEU156D, LEU157C, LEU157D, LEU162C, LEU162D, LEU174C, LEU174D, LEU179C, LEU179D, LEU190C, LEU190D, LEU198C, LEU198D, LEU214C, LEU214D, LEU217C, LEU217D, LEU24C, LEU24D, LEU41C, LEU41D, LYS160C, LYS160D, LYS180C, LYS180D, LYS197C, LYS197D, LYS208C, LYS208D, MET140C, MET140D, MET142C, MET142D, MET159C, MET159D, MET194C, MET194D, MET212C, MET212D, MET219C, MET219D, PHE184C, PHE184D, PHE189C, PHE189D, PHE193C, PHE193D, PHE210C, PHE210D, PRO128C, PRO128D, PRO138C, PRO138D, PRO183C, PRO183D, PRO199C, PRO199D, PRO209C, PRO209D, SER127C, SER127D, SER129C, SER129D, SER132C, SER132D, SER143C, SER143D, SER170C, SER170D, SER203C, SER203D, SER39C, SER39D, THR155C, THR155D, THR173C, THR173D, THR181C, THR181D, THR222C, THR222D, THR223D, TRP13C, TRP13D, TRP45C, TYR167C, TYR167D, TYR218C, TYR218D, VAL131C, VAL131D, VAL150C, VAL150D, VAL211C, VAL211D, VAL221C, VAL221D, VAL44C, VAL44D
• C-G: ALA101C, ALA101G, ALA103C, ALA103G, ARG107C, ARG107G, ARG57C, ARG57G, ASN120C, ASN120G, ASP102C, ASP102G, ASP98C, ASP98G, CYS123C, CYS123G, CYS97C, CYS99C, CYS99G, GLN42G, GLN43G, HIS122C, HIS122G, ILE105C, ILE105G, LEU104C, LEU104G, LEU106C, LEU106G, LYS63C, MET124C, MET124G, PHE121C, PHE121G, VAL100C, VAL100G
• C-H: ALA67C, ARG64C, GLN48H, GLN56C, GLU2H, GLU3H, GLU60C, GLY-1H, HIS46H, LEU125H, LEU130H, LEU65C, LYS59C, LYS63C, MET124H, MET1H, PRO128H, SER0H, SER127H, SER129H, THR66C
• D-F: ARG107F, ASN112F, GLU2D, GLU3D, GLU91F, LYS31D, MET1D, PHE96F, SER92F, THR30D, TYR94F
• E-F: ALA120E, ALA120F, ALA135E, ALA135F, ALA139E, ALA139F, ALA42E, ALA42F, ARG124E, ARG124F, ARG7E, ARG7F, ASN118E, ASN118F, ASN137E, ASN137F, ASP132E, ASP132F, ASP38E, ASP38F, CYS128E, CYS128F, CYS130E, CYS130F, GLN138E, GLN138F, GLU117E, GLU121E, GLU121F, GLU125E, GLU125F, GLU136E, GLU13E, GLU13F, GLY39E, GLY39F, HIS18E, HIS18F, HIS40E, HIS40F, ILE123E, ILE123F, ILE127E, ILE127F, ILE134E, ILE134F, ILE16E, ILE16F, ILE5E, ILE5F, ILE8E, ILE8F, LEU126E, LEU126F, LEU131E, LEU131F, LEU20E, LEU20F, LYS115E, LYS140E, LYS140F, LYS4E, LYS4F, LYS90E, LYS90F, PHE19E, PHE19F, PRO119E, PRO119F, SER15E, SER15F, SER41E, SER41F, SER6E, SER6F, SER76E, SER76F, THR133E, THR133F, THR17E, THR17F, THR37E, THR37F, TYR129E, TYR129F, VAL122E, VAL122F
• F-G: ALA56F, ALA60F, ALA67G, ALA71G, ARG107F, ARG109G, ARG64G, ASN100F, ASN62G, ASP103F, ASP57F, ASP58F, GLN54F, GLU111G, GLU51F, GLU55F, GLU62F, GLU69F, GLU98F, GLY109F, GLY114G, HIS75G, LEU101F, LEU108F, LEU112G, LEU115G, LEU61G, LEU65G, LEU70F, LYS102F, LYS59G, LYS63G, LYS65F, LYS99F, MET59F, MET61F, PHE106F, PHE117G, PHE72G, PHE96F, PHE97F, PRO116G, PRO68G, SER105F, SER110F, SER113G, THR66G, TYR118G, TYR66F, TYR84F, TYR94F, VAL104F
• G-H: ALA126G, ALA126H, ALA145G, ALA145H, ALA154G, ALA154H, ALA172G, ALA172H, ALA201G, ALA201H, ALA220G, ALA220H, ARG137G, ARG137H, ARG151G, ARG151H, ARG176G, ARG176H, ARG178G, ARG178H, ASN187G, ASN213G, ASN213H, ASP102G, ASP102H, ASP161G, ASP161H, ASP166G, ASP166H, ASP177G, ASP177H, ASP206G, ASP206H, ASP216G, ASP216H, ASP40G, ASP40H, CYS148G, CYS148H, CYS202G, CYS202H, GLN133G, GLN133H, GLN147G, GLN147H, GLN149G, GLN149H, GLN165G, GLN165H, GLN168G, GLN168H, GLN192G, GLN192H, GLN215G, GLN215H, GLN224G, GLN224H, GLN42G, GLN42H, GLN43G, GLN43H, GLU152G, GLU152H, GLU163G, GLU163H, GLU169G, GLU169H, GLU182G, GLU182H, GLU185G, GLU185H, GLU186G, GLU186H, GLU191G, GLU191H, GLU196G, GLU196H, GLU200G, GLU200H, GLY141G, GLY141H, GLY171G, GLY171H, GLY205G, GLY205H, GLY207G, GLY207H, HIS158G, HIS158H, ILE136G, ILE136H, ILE164G, ILE164H, ILE175G, ILE175H, ILE195G, ILE195H, ILE204G, ILE204H, LEU125G, LEU125H, LEU130G, LEU130H, LEU135G, LEU135H, LEU139G, LEU139H, LEU144G, LEU144H, LEU146G, LEU146H, LEU153G, LEU153H, LEU156G, LEU156H, LEU157G, LEU157H, LEU162G, LEU162H, LEU174G, LEU174H, LEU179G, LEU179H, LEU190G, LEU190H, LEU198G, LEU198H, LEU214G, LEU214H, LEU217G, LEU217H, LEU24G, LEU24H, LEU41G, LEU41H, LYS160G, LYS160H, LYS180G, LYS180H, LYS197G, LYS197H, LYS208G, LYS208H, MET140G, MET140H, MET142G, MET142H, MET159G, MET159H, MET194G, MET194H, MET212G, MET212H, MET219G, MET219H, PHE184G, PHE184H, PHE189G, PHE189H, PHE193G, PHE193H, PHE210G, PHE210H, PRO128G, PRO128H, PRO138G, PRO138H, PRO183G, PRO183H, PRO199G, PRO199H, PRO209G, PRO209H, SER127G, SER127H, SER129G, SER129H, SER132G, SER132H, SER143G, SER143H, SER170G, SER170H, SER203G, SER203H, SER39G, SER39H, THR155G, THR155H, THR173G, THR173H, THR181G, THR181H, THR222G, THR222H, THR223G, THR223H, TRP13G, TRP15H, TRP45G, TYR167G, TYR167H, TYR218G, TYR218H, VAL131G, VAL131H, VAL150G, VAL150H, VAL211G, VAL211H, VAL221G, VAL221H, VAL44G, VAL44H