KinCore

PDB: 8TVN — TKL IRAK4_HUMAN

Total number of chains: 4

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	75.0%	8TVNC
None	None	1	25.0%	8TVND

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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
TKL	IRAK4	IRAK4_HUMAN	8TVNA	Q9NWZ3	167	459	460.0	VE9:501	Type1	Active	DFGin	6.8013	14.5814	BLAminus	-129.9, -179.17	62.87, 70.82	-90.97, 13.68	296.57, 88.9	-64.15, -18.87	in-in	in	8.9586	Saltbr-in	3.5257	HRD-in	-70.68, -50.01	73.53, -1.21	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8215	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.33, 162.7	APE9-dihe-na	136.65, 178.35	APE8-dihe-in	-105.63, 112.36	APE8-rot-in	304.38	APE67-dihe-in	-66.2, -13.47	-50.45, -42.66	APE12-dist-in	10.2672	APE11-dist-in	11.4969	APE10-dist-in	6.0672	APE9-dist-in	3.5946	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	A	307.0	282.0	11	30	24	6	[[183, 456]]	1.0	8tvn	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVNB	Q9NWZ3	164	459	460.0	VE9:501	Type1	Inactive	DFGin	6.6028	14.4763	BLAminus	-131.79, -173.84	61.55, 70.77	-94.0, 17.31	300.61, 97.59	-62.64, -29.8	in-out	in	9.1406	Saltbr-out	4.7146	HRD-in	-66.97, -49.93	68.76, 1.62	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9298	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.69, 158.15	APE9-dihe-na	141.52, -174.1	APE8-dihe-in	-109.0, 120.89	APE8-rot-in	302.22	APE67-dihe-in	-68.04, -9.84	-64.13, -33.08	APE12-dist-in	10.3621	APE11-dist-in	11.6165	APE10-dist-in	6.1182	APE9-dist-in	3.6145	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	B	307.0	286.0	10	30	24	6	[[183, 456]]	1.0	8tvn	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVNC	Q9NWZ3	164	458	460.0	VE9:501	Type1	Inactive	DFGin	6.8157	14.2711	BLAminus	-134.87, -179.71	63.14, 78.0	-99.07, 16.75	311.05, 99.83	-68.52, -20.84	in-out	in	8.9656	Saltbr-out	7.9858	HRD-in	-73.64, -49.44	78.87, -3.37	out-in-in	SNCoii	in-in	ActLoopNT-in	2.878	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-126.92, 162.63	APE9-dihe-na	133.65, -178.49	APE8-dihe-in	-106.73, 121.01	APE8-rot-in	304.08	APE67-dihe-in	-68.08, -14.0	-59.46, -35.34	APE12-dist-in	10.0153	APE11-dist-in	11.7731	APE10-dist-in	6.3704	APE9-dist-in	3.7637	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	C	307.0	286.0	9	30	24	6	[[183, 456]]	1.0	8tvn	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVND	Q9NWZ3	165	459	460.0	VE9:501	Type1	Inactive	None	999.0	999.0	None	-128.0, 174.48	59.07, 74.82	-91.46, 22.14	999.0, 999.0	-68.15, -32.2	in-in	in	8.7182	Saltbr-in	3.5248	HRD-in	-66.97, -47.07	77.91, -9.26	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7388	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.76, 163.35	APE9-dihe-na	134.11, -178.04	APE8-dihe-in	-111.72, 122.92	APE8-rot-in	303.39	APE67-dihe-in	-72.86, -10.54	-60.52, -36.73	APE12-dist-in	9.9407	APE11-dist-in	11.4617	APE10-dist-in	5.9919	APE9-dist-in	3.5874	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	D	307.0	286.0	9	30	24	6	[[183, 456]]	1.0	8tvn	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4

PDB: 8TVN — TKL IRAK4_HUMAN

Total number of chains: 4

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	75.0%	8TVNC
None	None	1	25.0%	8TVND

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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
TKL	IRAK4	IRAK4_HUMAN	8TVNA	Q9NWZ3	167	459	460.0	VE9:501	Type1	Active	DFGin	6.8013	14.5814	BLAminus	-129.9, -179.17	62.87, 70.82	-90.97, 13.68	296.57, 88.9	-64.15, -18.87	in-in	in	8.9586	Saltbr-in	3.5257	HRD-in	-70.68, -50.01	73.53, -1.21	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8215	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.33, 162.7	APE9-dihe-na	136.65, 178.35	APE8-dihe-in	-105.63, 112.36	APE8-rot-in	304.38	APE67-dihe-in	-66.2, -13.47	-50.45, -42.66	APE12-dist-in	10.2672	APE11-dist-in	11.4969	APE10-dist-in	6.0672	APE9-dist-in	3.5946	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	A	307.0	282.0	11	30	24	6	[[183, 456]]	1.0	8tvn	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVNB	Q9NWZ3	164	459	460.0	VE9:501	Type1	Inactive	DFGin	6.6028	14.4763	BLAminus	-131.79, -173.84	61.55, 70.77	-94.0, 17.31	300.61, 97.59	-62.64, -29.8	in-out	in	9.1406	Saltbr-out	4.7146	HRD-in	-66.97, -49.93	68.76, 1.62	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9298	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.69, 158.15	APE9-dihe-na	141.52, -174.1	APE8-dihe-in	-109.0, 120.89	APE8-rot-in	302.22	APE67-dihe-in	-68.04, -9.84	-64.13, -33.08	APE12-dist-in	10.3621	APE11-dist-in	11.6165	APE10-dist-in	6.1182	APE9-dist-in	3.6145	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	B	307.0	286.0	10	30	24	6	[[183, 456]]	1.0	8tvn	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVNC	Q9NWZ3	164	458	460.0	VE9:501	Type1	Inactive	DFGin	6.8157	14.2711	BLAminus	-134.87, -179.71	63.14, 78.0	-99.07, 16.75	311.05, 99.83	-68.52, -20.84	in-out	in	8.9656	Saltbr-out	7.9858	HRD-in	-73.64, -49.44	78.87, -3.37	out-in-in	SNCoii	in-in	ActLoopNT-in	2.878	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-126.92, 162.63	APE9-dihe-na	133.65, -178.49	APE8-dihe-in	-106.73, 121.01	APE8-rot-in	304.08	APE67-dihe-in	-68.08, -14.0	-59.46, -35.34	APE12-dist-in	10.0153	APE11-dist-in	11.7731	APE10-dist-in	6.3704	APE9-dist-in	3.7637	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	C	307.0	286.0	9	30	24	6	[[183, 456]]	1.0	8tvn	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	8TVND	Q9NWZ3	165	459	460.0	VE9:501	Type1	Inactive	None	999.0	999.0	None	-128.0, 174.48	59.07, 74.82	-91.46, 22.14	999.0, 999.0	-68.15, -32.2	in-in	in	8.7182	Saltbr-in	3.5248	HRD-in	-66.97, -47.07	77.91, -9.26	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7388	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.76, 163.35	APE9-dihe-na	134.11, -178.04	APE8-dihe-in	-111.72, 122.92	APE8-rot-in	303.39	APE67-dihe-in	-72.86, -10.54	-60.52, -36.73	APE12-dist-in	9.9407	APE11-dist-in	11.4617	APE10-dist-in	5.9919	APE9-dist-in	3.5874	None	TPO342,TPO345,SEP346	TPO342,TPO345,SEP346	XRAY	1.95	0.208	0.242	D	307.0	286.0	9	30	24	6	[[183, 456]]	1.0	8tvn	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5.0	266.0	262.0	328	329	330	332	334	213	233	237	308	310	309	311.0	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4

PDB: 8TVN — TKL IRAK4_HUMAN

Total number of chains: 0

Active chains: 0

Total number of genes: 0

Spatial label	Dihedral label	Number of Chains	Percent	Representative

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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