KinCore

Ligand: ODH

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	4BDCA

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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
CAMK	CHEK2	CHK2_HUMAN	4BDCA	O96017	210	512	543.0	ODH:1513	Type1	Inactive	DFGin	6.8094	14.7096	BLAminus	-121.85, 179.33	58.65, 81.14	-99.04, 25.33	285.47, 81.08	-60.15, -42.76	in-none	in	9.8736	Saltbr-none	999.0	HRD-in	-63.39, -48.96	72.38, -9.76	none-in-out	SNCnio	in-out	ActLoopNT-in	3.0032	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-65.73, -25.1	APE9-dihe-na	-88.24, 177.42	APE8-dihe-in	-91.65, 130.28	APE8-rot-in	280.04	APE67-dihe-in	-46.0, -49.87	-76.43, 30.07	APE12-dist-out	25.5638	APE11-dist-out	27.5547	APE10-dist-out	29.7408	APE9-dist-out	32.6052	None	None	None	XRAY	3.0	0.17	0.213	A	329.0	283.0	20	27	26	1	[[220, 486]]	1.0	4bdc	CAMK_CHEK2_HUMAN	CAMK	2.1e-85	292.1	1.0	256.0	256.0	367	368	369	371	373	249	273	277	344	346	345	347.0	409	394	389	388	387	386	385	384	383	302	Serine/threonine-protein kinase Chk2

Ligand: ODH

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	4BDCA

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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
CAMK	CHEK2	CHK2_HUMAN	4BDCA	O96017	210	512	543.0	ODH:1513	Type1	Inactive	DFGin	6.8094	14.7096	BLAminus	-121.85, 179.33	58.65, 81.14	-99.04, 25.33	285.47, 81.08	-60.15, -42.76	in-none	in	9.8736	Saltbr-none	999.0	HRD-in	-63.39, -48.96	72.38, -9.76	none-in-out	SNCnio	in-out	ActLoopNT-in	3.0032	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-65.73, -25.1	APE9-dihe-na	-88.24, 177.42	APE8-dihe-in	-91.65, 130.28	APE8-rot-in	280.04	APE67-dihe-in	-46.0, -49.87	-76.43, 30.07	APE12-dist-out	25.5638	APE11-dist-out	27.5547	APE10-dist-out	29.7408	APE9-dist-out	32.6052	None	None	None	XRAY	3.0	0.17	0.213	A	329.0	283.0	20	27	26	1	[[220, 486]]	1.0	4bdc	Homo sapiens	CAMK_CHEK2_HUMAN	CAMK	2.1e-85	292.1	1.0	256.0	256.0	367	368	369	371	373	249	273	277	344	346	345	347.0	409	394	389	388	387	386	385	384	383	302	Serine/threonine-protein kinase Chk2

Ligand: ODH

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