KinCore

Ligand: RHH

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%	7AK2A

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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
CMGC	DYRK1A	DYR1A_HUMAN	7AK2A	Q13627	148	481	763.0	RHH:60501	Type1	Inactive	DFGin	7.291	14.851	BLAminus	-115.74, 169.98	74.14, 90.39	-102.75, 24.02	288.48, 76.67	-68.21, -33.16	in-in	in	8.772	Saltbr-in	2.761	HRD-in	-65.68, -50.14	75.59, 4.1	in-in-out	SNCiio	in-out	ActLoopNT-in	2.874	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-126.73, 160.37	APE9-dihe-na	71.52, 143.92	APE8-dihe-in	-64.68, 134.05	APE8-rot-out	173.39	APE67-dihe-in	-55.51, -27.41	-48.64, -56.18	APE12-dist-in	11.739	APE11-dist-in	10.424	APE10-dist-in	6.918	APE9-dist-in	3.112	None	PTR321	PTR321	XRAY	2.1	0.198	0.231	A	359	331	3	0	0	0	[[159, 479]]	1.0	7ak2	CMGC_DYRK1A_HUMAN	CMGC	8.2e-91	310.2	1	301	301	306	307	308	310	312	188	203	207	284	286	285	287	343	331	326	325	324	323	322	321	320	239	Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC	DYRK1A	DYR1A_HUMAN	7AK2B	Q13627	148	481	763.0	RHH:60501	Type1	Inactive	DFGin	7.283	14.688	BLAminus	-117.62, 169.19	72.17, 91.09	-105.5, 27.65	285.34, 74.8	-80.26, -16.76	in-in	in	8.738	Saltbr-in	2.729	HRD-in	-64.18, -49.57	76.66, 4.04	in-in-out	SNCiio	in-out	ActLoopNT-in	2.868	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-140.09, 173.48	APE9-dihe-na	74.34, 146.62	APE8-dihe-in	-67.4, 134.77	APE8-rot-out	184.21	APE67-dihe-in	-56.53, -28.03	-46.83, -54.27	APE12-dist-in	12.704	APE11-dist-in	11.103	APE10-dist-in	6.668	APE9-dist-in	3.152	None	PTR321	PTR321	XRAY	2.1	0.198	0.231	B	359	327	7	0	0	0	[[159, 479]]	1.0	7ak2	CMGC_DYRK1A_HUMAN	CMGC	8.2e-91	310.2	1	301	301	306	307	308	310	312	188	203	207	284	286	285	287	343	331	326	325	324	323	322	321	320	239	Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: RHH

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%	7AK2A

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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	DYRK1A	DYR1A_HUMAN	7AK2A	Q13627	148	481	763.0	RHH:60501	Type1	Inactive	DFGin	7.291	14.851	BLAminus	-115.74, 169.98	74.14, 90.39	-102.75, 24.02	288.48, 76.67	-68.21, -33.16	in-in	in	8.772	Saltbr-in	2.761	HRD-in	-65.68, -50.14	75.59, 4.1	in-in-out	SNCiio	in-out	ActLoopNT-in	2.874	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-126.73, 160.37	APE9-dihe-na	71.52, 143.92	APE8-dihe-in	-64.68, 134.05	APE8-rot-out	173.39	APE67-dihe-in	-55.51, -27.41	-48.64, -56.18	APE12-dist-in	11.739	APE11-dist-in	10.424	APE10-dist-in	6.918	APE9-dist-in	3.112	None	PTR321	PTR321	XRAY	2.1	0.198	0.231	A	359	331	3	0	0	0	[[159, 479]]	1.0	7ak2	Homo sapiens	CMGC_DYRK1A_HUMAN	CMGC	8.2e-91	310.2	1	301	301	306	307	308	310	312	188	203	207	284	286	285	287	343	331	326	325	324	323	322	321	320	239	Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC	DYRK1A	DYR1A_HUMAN	7AK2B	Q13627	148	481	763.0	RHH:60501	Type1	Inactive	DFGin	7.283	14.688	BLAminus	-117.62, 169.19	72.17, 91.09	-105.5, 27.65	285.34, 74.8	-80.26, -16.76	in-in	in	8.738	Saltbr-in	2.729	HRD-in	-64.18, -49.57	76.66, 4.04	in-in-out	SNCiio	in-out	ActLoopNT-in	2.868	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-140.09, 173.48	APE9-dihe-na	74.34, 146.62	APE8-dihe-in	-67.4, 134.77	APE8-rot-out	184.21	APE67-dihe-in	-56.53, -28.03	-46.83, -54.27	APE12-dist-in	12.704	APE11-dist-in	11.103	APE10-dist-in	6.668	APE9-dist-in	3.152	None	PTR321	PTR321	XRAY	2.1	0.198	0.231	B	359	327	7	0	0	0	[[159, 479]]	1.0	7ak2	Homo sapiens	CMGC_DYRK1A_HUMAN	CMGC	8.2e-91	310.2	1	301	301	306	307	308	310	312	188	203	207	284	286	285	287	343	331	326	325	324	323	322	321	320	239	Dual specificity tyrosine-phosphorylation-regulated kinase 1A

Ligand: RHH

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