KinCore

Ligand: B7R

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	7QG5B

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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	7QG5A	Q9NWZ3	165	458	460.0	B7R:501	Type1	Inactive	DFGin	6.578	14.493	BLAminus	-124.15, 174.43	61.08, 84.14	-101.81, 21.99	311.05, 99.37	-64.51, -29.58	in-out	in	8.883	Saltbr-out	3.949	HRD-in	-68.99, -49.5	76.63, -2.55	out-in-in	SNCoii	in-in	ActLoopNT-in	2.889	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-120.94, 161.62	APE9-dihe-na	129.5, -173.09	APE8-dihe-in	-108.69, 116.59	APE8-rot-in	312.95	APE67-dihe-in	-65.31, -14.05	-47.57, -46.29	APE12-dist-in	9.924	APE11-dist-in	11.759	APE10-dist-in	6.402	APE9-dist-in	3.922	None	TPO345,SEP346	TPO345,SEP346	XRAY	2.3	0.249	0.275	A	308	270	24	0	0	6	[[183, 456]]	1.0	7qg5	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5	266	262	328	329	330	332	334	213	233	237	308	310	309	311	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	7QG5B	Q9NWZ3	164	458	460.0	B7R:501	Type1	Inactive	DFGin	7.058	14.383	BLAminus	-131.21, 172.38	65.67, 86.88	-104.52, 23.37	306.02, 106.65	-68.49, -29.45	in-out	in	8.804	Saltbr-out	3.918	HRD-in	-70.17, -49.03	75.63, -1.79	out-in-in	SNCoii	in-in	ActLoopNT-in	2.897	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-121.87, 162.12	APE9-dihe-na	129.84, -172.51	APE8-dihe-in	-109.04, 117.43	APE8-rot-in	313.01	APE67-dihe-in	-64.34, -13.55	-51.38, -43.59	APE12-dist-in	10.018	APE11-dist-in	11.619	APE10-dist-in	6.338	APE9-dist-in	3.971	None	TPO345,SEP346	TPO345,SEP346	XRAY	2.3	0.249	0.275	B	308	281	14	0	0	6	[[183, 456]]	1.0	7qg5	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5	266	262	328	329	330	332	334	213	233	237	308	310	309	311	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4

Ligand: B7R

Total number of chains: 3

Active chains: 1

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	100.0%	9NZLA

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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
CK1	YCK2	A0A8H6C375_CANAX	9NZLA	A0A8H6C375	37	345	491.0	A1B7R:402	Type1	Active	DFGin	6.512	14.61	BLAminus	-128.45, 175.44	71.88, 87.53	-106.56, 23.27	294.98, 93.17	-63.95, -24.39	in-in	in	7.957	Saltbr-in	2.938	HRD-in	-88.51, -48.52	69.78, 5.68	in-in-in	SNCiii	in-in	ActLoopNT-in	2.82	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-90.37, 132.22	APE9-dihe-na	143.95, -170.92	APE8-dihe-in	-106.17, 113.78	APE8-rot-in	306.99	APE67-dihe-in	-63.47, -33.28	-62.11, -29.92	APE12-dist-in	11.598	APE11-dist-in	13.417	APE10-dist-in	7.742	APE9-dist-in	4.675	None	None	None	XRAY	1.92	0.161	0.2	A	309	309	0	0	0	0	[[44, 312]]	1.0	9nzl	Candida albicans	CK1_YCK2_CANAX	CK1	4.4e-95	324.0	1	260	260	185	186	187	189	191	73	87	91	160	162	161	163	232	220	215	214	213	212	211	210	209	118	non-specific serine/threonine protein kinase
TKL	IRAK4	IRAK4_HUMAN	7QG5A	Q9NWZ3	165	458	460.0	B7R:501	Type1	Inactive	DFGin	6.578	14.493	BLAminus	-124.15, 174.43	61.08, 84.14	-101.81, 21.99	311.05, 99.37	-64.51, -29.58	in-out	in	8.883	Saltbr-out	3.949	HRD-in	-68.99, -49.5	76.63, -2.55	out-in-in	SNCoii	in-in	ActLoopNT-in	2.889	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-120.94, 161.62	APE9-dihe-na	129.5, -173.09	APE8-dihe-in	-108.69, 116.59	APE8-rot-in	312.95	APE67-dihe-in	-65.31, -14.05	-47.57, -46.29	APE12-dist-in	9.924	APE11-dist-in	11.759	APE10-dist-in	6.402	APE9-dist-in	3.922	None	TPO345,SEP346	TPO345,SEP346	XRAY	2.3	0.249	0.275	A	308	270	24	0	0	6	[[183, 456]]	1.0	7qg5	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5	266	262	328	329	330	332	334	213	233	237	308	310	309	311	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4
TKL	IRAK4	IRAK4_HUMAN	7QG5B	Q9NWZ3	164	458	460.0	B7R:501	Type1	Inactive	DFGin	7.058	14.383	BLAminus	-131.21, 172.38	65.67, 86.88	-104.52, 23.37	306.02, 106.65	-68.49, -29.45	in-out	in	8.804	Saltbr-out	3.918	HRD-in	-70.17, -49.03	75.63, -1.79	out-in-in	SNCoii	in-in	ActLoopNT-in	2.897	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-121.87, 162.12	APE9-dihe-na	129.84, -172.51	APE8-dihe-in	-109.04, 117.43	APE8-rot-in	313.01	APE67-dihe-in	-64.34, -13.55	-51.38, -43.59	APE12-dist-in	10.018	APE11-dist-in	11.619	APE10-dist-in	6.338	APE9-dist-in	3.971	None	TPO345,SEP346	TPO345,SEP346	XRAY	2.3	0.249	0.275	B	308	281	14	0	0	6	[[183, 456]]	1.0	7qg5	Homo sapiens	TKL_IRAK4_HUMAN	TKL	4.4e-84	288.1	5	266	262	328	329	330	332	334	213	233	237	308	310	309	311	369	358	353	352	351	350	349	348	347	263	Interleukin-1 receptor-associated kinase 4

Ligand: B7R

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9NZLA

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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
CK1	YCK2	A0A8H6C375_CANAX	9NZLA	A0A8H6C375	37	345	491.0	A1B7R:402	Type1	Active	DFGin	6.512	14.61	BLAminus	-128.45, 175.44	71.88, 87.53	-106.56, 23.27	294.98, 93.17	-63.95, -24.39	in-in	in	7.957	Saltbr-in	2.938	HRD-in	-88.51, -48.52	69.78, 5.68	in-in-in	SNCiii	in-in	ActLoopNT-in	2.82	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-90.37, 132.22	APE9-dihe-na	143.95, -170.92	APE8-dihe-in	-106.17, 113.78	APE8-rot-in	306.99	APE67-dihe-in	-63.47, -33.28	-62.11, -29.92	APE12-dist-in	11.598	APE11-dist-in	13.417	APE10-dist-in	7.742	APE9-dist-in	4.675	None	None	None	XRAY	1.92	0.161	0.2	A	309	309	0	0	0	0	[[44, 312]]	1.0	9nzl	Candida albicans	CK1_YCK2_CANAX	CK1	4.4e-95	324.0	1	260	260	185	186	187	189	191	73	87	91	160	162	161	163	232	220	215	214	213	212	211	210	209	118	non-specific serine/threonine protein kinase