KinCore

Ligand: BK4

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	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

Ligand: BK4

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
None	None	1	100.0%	3T3VA

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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	CDPK1	Q9BJF5_TOXGO	3T3VA	Q9BJF5	45	507	507.0	BK4:701	Type1	Inactive	None	11.6499	17.4657	None	-104.93, 154.36	80.37, 15.76	-58.71, 133.95	249.3, 101.13	86.72, -15.52	out-out	out	14.2999	Saltbr-out	15.3369	HRD-in	-87.69, -60.12	80.76, -34.12	out-out-out	SNCooo	out-out	ActLoopNT-out	5.6063	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_iooo	APE10-dihe-na	-61.83, 122.03	APE9-dihe-na	86.38, -4.93	APE8-dihe-out	-62.9, -38.59	APE8-rot-out	55.06	APE67-dihe-in	-61.62, -32.18	-61.6, -36.25	APE12-dist-in	13.8589	APE11-dist-out	15.8643	APE10-dist-out	18.3256	APE9-dist-out	11.5947	None	None	None	XRAY	2.04	0.199	0.24	A	484.0	453.0	0	27	27	0	[[51, 308]]	1.0	3t3v	Toxoplasma gondii	CAMK_CDPK1_TOXGO	CAMK	4.6e-90	307.7	1.0	256.0	256.0	194	195	196	198	200	80	99	103	171	173	172	174.0	232	221	216	215	214	213	212	211	210	129	non-specific serine/threonine protein kinase

Ligand: BK4

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
None	None	1	100.0%	3T3VA

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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	CDPK1	Q9BJF5_TOXGO	3T3VA	Q9BJF5	45	507	507.0	BK4:701	Type1	Inactive	None	11.6499	17.4657	None	-104.93, 154.36	80.37, 15.76	-58.71, 133.95	249.3, 101.13	86.72, -15.52	out-out	out	14.2999	Saltbr-out	15.3369	HRD-in	-87.69, -60.12	80.76, -34.12	out-out-out	SNCooo	out-out	ActLoopNT-out	5.6063	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_iooo	APE10-dihe-na	-61.83, 122.03	APE9-dihe-na	86.38, -4.93	APE8-dihe-out	-62.9, -38.59	APE8-rot-out	55.06	APE67-dihe-in	-61.62, -32.18	-61.6, -36.25	APE12-dist-in	13.8589	APE11-dist-out	15.8643	APE10-dist-out	18.3256	APE9-dist-out	11.5947	None	None	None	XRAY	2.04	0.199	0.24	A	484.0	453.0	0	27	27	0	[[51, 308]]	1.0	3t3v	Toxoplasma gondii	CAMK_CDPK1_TOXGO	CAMK	4.6e-90	307.7	1.0	256.0	256.0	194	195	196	198	200	80	99	103	171	173	172	174.0	232	221	216	215	214	213	212	211	210	129	non-specific serine/threonine protein kinase