KinCore

Ligand: 7KG (Mivavotinib)

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%	5TR6A

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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
TYR	SYK	KSYK_HUMAN	5TR6A	P43405	362	635	635.0	7KG:60701	Type1	None	DFGin	6.42	14.4222	BLAminus	-132.48, 179.72	59.87, 74.11	-95.94, 22.5	287.39, 87.93	-67.35, -26.8	in-none	in	7.9927	Saltbr-none	999.0	HRD-in	-77.83, -50.78	68.92, 14.83	none-in-in	SNCnii	in-in	ActLoopNT-in	2.9205	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-76.28, 93.77	APE9-dihe-in	-107.16, 142.31	APE8-dihe-in	-78.63, 77.12	APE8-rot-na	32.22	APE67-dihe-in	-65.12, -14.48	-58.58, -35.04	APE12-dist-na	13.6817	APE11-dist-na	10.1638	APE10-dist-na	10.5072	APE9-dist-in	6.9749	None	None	None	XRAY	1.93	0.195	0.217	A	289.0	268.0	6	31	31	0	[[370, 628]]	1.0	5tr6	TYR_SYK_HUMAN	TYR	5.4e-90	307.1	5.0	260.0	256.0	511	512	513	515	517	402	420	424	491	493	492	494.0	554	542	537	536	535	534	533	532	531	449	Tyrosine-protein kinase SYK

Ligand: 7KG (Mivavotinib)

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%	5TR6A

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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
TYR	SYK	KSYK_HUMAN	5TR6A	P43405	362	635	635.0	7KG:60701	Type1	None	DFGin	6.42	14.4222	BLAminus	-132.48, 179.72	59.87, 74.11	-95.94, 22.5	287.39, 87.93	-67.35, -26.8	in-none	in	7.9927	Saltbr-none	999.0	HRD-in	-77.83, -50.78	68.92, 14.83	none-in-in	SNCnii	in-in	ActLoopNT-in	2.9205	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-76.28, 93.77	APE9-dihe-in	-107.16, 142.31	APE8-dihe-in	-78.63, 77.12	APE8-rot-na	32.22	APE67-dihe-in	-65.12, -14.48	-58.58, -35.04	APE12-dist-na	13.6817	APE11-dist-na	10.1638	APE10-dist-na	10.5072	APE9-dist-in	6.9749	None	None	None	XRAY	1.93	0.195	0.217	A	289.0	268.0	6	31	31	0	[[370, 628]]	1.0	5tr6	Homo sapiens	TYR_SYK_HUMAN	TYR	5.4e-90	307.1	5.0	260.0	256.0	511	512	513	515	517	402	420	424	491	493	492	494.0	554	542	537	536	535	534	533	532	531	449	Tyrosine-protein kinase SYK

Ligand: 7KG (Mivavotinib)

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