KinCore

Ligand: A1H5G

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	8S6IA

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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	CDKL2	CDKL2_HUMAN	8S6IA	Q92772	1	305	493.0	A1H5G:60401	Type1	Inactive	DFGin	10.8992	16.6113	BLBminus	-145.81, 159.25	64.03, 52.3	-70.3, 154.63	284.81, 72.82	-94.57, 119.59	out-out	out	11.7806	Saltbr-out	8.7718	HRD-in	-68.88, -57.54	78.23, -5.1	out-out-out	SNCooo	out-out	ActLoopNT-out	10.119	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -79.88	APE9-dihe-na	-86.16, 151.19	APE8-dihe-in	-63.12, 136.66	APE8-rot-out	198.87	APE67-dihe-in	-62.07, -26.67	-105.51, 4.75	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	18.6805	APE9-dist-out	9.9971	None	None	None	XRAY	1.72	0.205	0.222	A	331.0	295.0	10	28	18	10	[[4, 287]]	1.0	8s6i	CMGC_CDKL2_HUMAN	CMGC	2.2e-79	272.8	1.0	301.0	301.0	143	144	145	147	149	33	51	55	123	125	124	126.0	184	171	166	165	164	163	162	161	160	81	Cyclin-dependent kinase-like 2

Ligand: A1H5G

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	8S6IA

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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	CDKL2	CDKL2_HUMAN	8S6IA	Q92772	1	305	493.0	A1H5G:60401	Type1	Inactive	DFGin	10.8992	16.6113	BLBminus	-145.81, 159.25	64.03, 52.3	-70.3, 154.63	284.81, 72.82	-94.57, 119.59	out-out	out	11.7806	Saltbr-out	8.7718	HRD-in	-68.88, -57.54	78.23, -5.1	out-out-out	SNCooo	out-out	ActLoopNT-out	10.119	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -79.88	APE9-dihe-na	-86.16, 151.19	APE8-dihe-in	-63.12, 136.66	APE8-rot-out	198.87	APE67-dihe-in	-62.07, -26.67	-105.51, 4.75	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	18.6805	APE9-dist-out	9.9971	None	None	None	XRAY	1.72	0.205	0.222	A	331.0	295.0	10	28	18	10	[[4, 287]]	1.0	8s6i	Homo sapiens	CMGC_CDKL2_HUMAN	CMGC	2.2e-79	272.8	1.0	301.0	301.0	143	144	145	147	149	33	51	55	123	125	124	126.0	184	171	166	165	164	163	162	161	160	81	Cyclin-dependent kinase-like 2

Ligand: A1H5G

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