KinCore

Ligand: RK5

Total number of chains: 2

Active chains: 1

Total number of genes: 2

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

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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	7AKLA	Q13627	148	481	763.0	RK5:501	Type1	Active	DFGin	7.3	14.425	BLAminus	-122.02, 174.03	72.11, 83.92	-100.72, 31.09	288.14, 76.27	-72.0, -23.45	in-in	in	8.638	Saltbr-in	2.745	HRD-in	-60.22, -54.09	78.11, -4.59	in-in-in	SNCiii	in-in	ActLoopNT-in	2.794	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-144.03, 174.13	APE9-dihe-na	72.3, 150.01	APE8-dihe-in	-71.28, 141.43	APE8-rot-in	296.39	APE67-dihe-in	-55.01, -28.18	-52.85, -51.29	APE12-dist-in	12.783	APE11-dist-in	11.183	APE10-dist-in	6.726	APE9-dist-in	3.081	None	PTR321	PTR321	XRAY	2.0	0.169	0.21	A	359	330	4	0	0	0	[[159, 479]]	1.0	7akl	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	DYRK2	DYRK2_HUMAN	7AKFA	Q92630	146	535	601.0	RK5:60601	Type1	Inactive	DFGin	6.785	14.751	BLAminus	-116.54, -178.37	61.83, 93.06	-112.09, 28.57	283.6, 77.78	-86.48, 0.57	in-in	in	8.763	Saltbr-in	2.658	HRD-in	-67.66, -54.85	75.7, 9.17	in-in-out	SNCiio	in-out	ActLoopNT-in	2.989	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-135.94, 166.25	APE9-dihe-na	63.8, 156.1	APE8-dihe-in	-67.55, 128.45	APE8-rot-out	225.46	APE67-dihe-in	-65.91, -25.18	-38.34, -48.5	APE12-dist-in	12.873	APE11-dist-in	11.166	APE10-dist-in	6.714	APE9-dist-in	3.342	None	SEP232,PTR382,SEP458	SEP232,PTR382,SEP458	XRAY	2.6	0.192	0.259	A	429	390	0	0	0	0	[[222, 535]]	1.0	7akf	CMGC_DYRK2_HUMAN	CMGC	1.5e-98	335.8	1	301	301	367	368	369	371	373	251	266	270	345	347	346	348	404	392	387	386	385	384	383	382	381	302	Dual specificity tyrosine-phosphorylation-regulated kinase 2

Ligand: RK5

Total number of chains: 2

Active chains: 1

Total number of genes: 2

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

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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	7AKLA	Q13627	148	481	763.0	RK5:501	Type1	Active	DFGin	7.3	14.425	BLAminus	-122.02, 174.03	72.11, 83.92	-100.72, 31.09	288.14, 76.27	-72.0, -23.45	in-in	in	8.638	Saltbr-in	2.745	HRD-in	-60.22, -54.09	78.11, -4.59	in-in-in	SNCiii	in-in	ActLoopNT-in	2.794	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-144.03, 174.13	APE9-dihe-na	72.3, 150.01	APE8-dihe-in	-71.28, 141.43	APE8-rot-in	296.39	APE67-dihe-in	-55.01, -28.18	-52.85, -51.29	APE12-dist-in	12.783	APE11-dist-in	11.183	APE10-dist-in	6.726	APE9-dist-in	3.081	None	PTR321	PTR321	XRAY	2.0	0.169	0.21	A	359	330	4	0	0	0	[[159, 479]]	1.0	7akl	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	DYRK2	DYRK2_HUMAN	7AKFA	Q92630	146	535	601.0	RK5:60601	Type1	Inactive	DFGin	6.785	14.751	BLAminus	-116.54, -178.37	61.83, 93.06	-112.09, 28.57	283.6, 77.78	-86.48, 0.57	in-in	in	8.763	Saltbr-in	2.658	HRD-in	-67.66, -54.85	75.7, 9.17	in-in-out	SNCiio	in-out	ActLoopNT-in	2.989	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-135.94, 166.25	APE9-dihe-na	63.8, 156.1	APE8-dihe-in	-67.55, 128.45	APE8-rot-out	225.46	APE67-dihe-in	-65.91, -25.18	-38.34, -48.5	APE12-dist-in	12.873	APE11-dist-in	11.166	APE10-dist-in	6.714	APE9-dist-in	3.342	None	SEP232,PTR382,SEP458	SEP232,PTR382,SEP458	XRAY	2.6	0.192	0.259	A	429	390	0	0	0	0	[[222, 535]]	1.0	7akf	Homo sapiens	CMGC_DYRK2_HUMAN	CMGC	1.5e-98	335.8	1	301	301	367	368	369	371	373	251	266	270	345	347	346	348	404	392	387	386	385	384	383	382	381	302	Dual specificity tyrosine-phosphorylation-regulated kinase 2

Ligand: RK5

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