KinCore

Ligand: TBK

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	2	100.0%	7BCMA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
TYR	DDR1	DDR1_HUMAN	7BCMA	Q08345	604	909	913.0	TBK:1001	Type2	Inactive	DFGout	13.008	10.093	BBAminus	-144.68, -175.9	-143.48, 102.2	-83.62, 3.62	287.6, 81.94	81.32, -168.03	in-in	in	8.656	Saltbr-in	3.009	HRD-in	-65.71, -55.98	87.34, -19.67	in-out-in	SNCioi	out-in	ActLoopNT-out	18.307	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-80.26, 137.51	APE9-dihe-in	-123.82, 128.63	APE8-dihe-in	-86.21, 69.22	APE8-rot-na	27.2	APE67-dihe-in	-71.43, -12.52	-62.93, -34.22	APE12-dist-na	13.45	APE11-dist-na	10.503	APE10-dist-na	6.276	APE9-dist-in	7.552	None	None	None	XRAY	2.3	0.246	0.308	A	315	273	33	0	0	0	[[610, 907]]	1.0	7bcm	TYR_DDR1_HUMAN	TYR	1.5e-92	315.5	1	260	260	783	784	785	787	789	655	672	676	763	765	764	766	825	813	808	807	806	805	804	803	802	702	Epithelial discoidin domain-containing receptor 1
TYR	DDR1	DDR1_HUMAN	7BCMB	Q08345	604	911	913.0	TBK:1001	Type2	Inactive	DFGout	12.873	10.003	BBAminus	-131.16, -172.17	-135.77, 109.56	-94.04, -4.34	282.79, 103.01	90.67, -179.36	in-out	in	8.369	Saltbr-out	3.617	HRD-in	-62.88, -55.49	80.94, -21.01	out-out-in	SNCooi	out-in	ActLoopNT-out	18.345	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-73.26, 139.25	APE9-dihe-in	-129.42, 124.32	APE8-dihe-in	-81.31, 68.14	APE8-rot-na	36.31	APE67-dihe-in	-65.99, -20.67	-66.61, -29.37	APE12-dist-na	13.249	APE11-dist-na	10.653	APE10-dist-na	5.986	APE9-dist-in	7.524	None	None	None	XRAY	2.3	0.246	0.308	B	315	266	42	0	0	0	[[610, 907]]	1.0	7bcm	TYR_DDR1_HUMAN	TYR	1.5e-92	315.5	1	260	260	783	784	785	787	789	655	672	676	763	765	764	766	825	813	808	807	806	805	804	803	802	702	Epithelial discoidin domain-containing receptor 1

Ligand: TBK

Total number of chains: 3

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	2	66.7%	7BCMA
DFGout	None	1	33.3%	7BDOA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
TYR	DDR1	DDR1_HUMAN	7BCMA	Q08345	604	909	913.0	TBK:1001	Type2	Inactive	DFGout	13.008	10.093	BBAminus	-144.68, -175.9	-143.48, 102.2	-83.62, 3.62	287.6, 81.94	81.32, -168.03	in-in	in	8.656	Saltbr-in	3.009	HRD-in	-65.71, -55.98	87.34, -19.67	in-out-in	SNCioi	out-in	ActLoopNT-out	18.307	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-80.26, 137.51	APE9-dihe-in	-123.82, 128.63	APE8-dihe-in	-86.21, 69.22	APE8-rot-na	27.2	APE67-dihe-in	-71.43, -12.52	-62.93, -34.22	APE12-dist-na	13.45	APE11-dist-na	10.503	APE10-dist-na	6.276	APE9-dist-in	7.552	None	None	None	XRAY	2.3	0.246	0.308	A	315	273	33	0	0	0	[[610, 907]]	1.0	7bcm	Homo sapiens	TYR_DDR1_HUMAN	TYR	1.5e-92	315.5	1	260	260	783	784	785	787	789	655	672	676	763	765	764	766	825	813	808	807	806	805	804	803	802	702	Epithelial discoidin domain-containing receptor 1
TYR	DDR1	DDR1_HUMAN	7BCMB	Q08345	604	911	913.0	TBK:1001	Type2	Inactive	DFGout	12.873	10.003	BBAminus	-131.16, -172.17	-135.77, 109.56	-94.04, -4.34	282.79, 103.01	90.67, -179.36	in-out	in	8.369	Saltbr-out	3.617	HRD-in	-62.88, -55.49	80.94, -21.01	out-out-in	SNCooi	out-in	ActLoopNT-out	18.345	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-73.26, 139.25	APE9-dihe-in	-129.42, 124.32	APE8-dihe-in	-81.31, 68.14	APE8-rot-na	36.31	APE67-dihe-in	-65.99, -20.67	-66.61, -29.37	APE12-dist-na	13.249	APE11-dist-na	10.653	APE10-dist-na	5.986	APE9-dist-in	7.524	None	None	None	XRAY	2.3	0.246	0.308	B	315	266	42	0	0	0	[[610, 907]]	1.0	7bcm	Homo sapiens	TYR_DDR1_HUMAN	TYR	1.5e-92	315.5	1	260	260	783	784	785	787	789	655	672	676	763	765	764	766	825	813	808	807	806	805	804	803	802	702	Epithelial discoidin domain-containing receptor 1
CMGC	MAPK14	MK14_MOUSE	7BDOA	P47811	5	353	360.0	TBK:401	Type2	Inactive	DFGout	13.274	10.612	None	-140.45, -176.17	-147.11, 100.95	-81.65, 173.27	306.65, 120.36	-120.47, 69.03	in-out	in	9.678	Saltbr-out	5.522	HRD-in	-63.13, -55.95	75.66, -10.3	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 128.1	APE8-dihe-out	-57.45, -51.16	APE8-rot-in	302.29	APE67-dihe-in	-59.24, -31.49	-45.26, -36.63	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	10.812	None	None	None	XRAY	2.7	0.241	0.287	A	361	332	17	0	0	12	[[24, 308]]	1.0	7bdo	Mus musculus	CMGC_MAPK14_MOUSE	CMGC	2e-85	292.7	1	301	301	167	168	169	171	173	53	71	75	147	149	148	150	205	192	187	186	185	184	183	182	181	107	Mitogen-activated protein kinase 14

Ligand: TBK

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	1	100.0%	7BDOA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
CMGC	MAPK14	MK14_MOUSE	7BDOA	P47811	5	353	360.0	TBK:401	Type2	Inactive	DFGout	13.274	10.612	None	-140.45, -176.17	-147.11, 100.95	-81.65, 173.27	306.65, 120.36	-120.47, 69.03	in-out	in	9.678	Saltbr-out	5.522	HRD-in	-63.13, -55.95	75.66, -10.3	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 128.1	APE8-dihe-out	-57.45, -51.16	APE8-rot-in	302.29	APE67-dihe-in	-59.24, -31.49	-45.26, -36.63	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	10.812	None	None	None	XRAY	2.7	0.241	0.287	A	361	332	17	0	0	12	[[24, 308]]	1.0	7bdo	Mus musculus	CMGC_MAPK14_MOUSE	CMGC	2e-85	292.7	1	301	301	167	168	169	171	173	53	71	75	147	149	148	150	205	192	187	186	185	184	183	182	181	107	Mitogen-activated protein kinase 14