KinCore

Ligand: IGV

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	1	100.0%	7YAZA

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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
TKL	MAP3K20	M3K20_HUMAN	7YAZA	Q9NYL2	8	299	800.0	IGV:60401	Type1.5_Back	Inactive	DFGin	6.4886	12.9093	BLAplus	-104.08, 163.07	66.5, 24.72	-76.06, -21.05	52.57, 81.45	-94.77, 8.1	out-out	out	17.4485	Saltbr-out	19.2918	HRD-in	-74.32, -47.28	68.42, -12.2	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1429	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioo	APE10-dihe-na	-76.12, -32.07	APE9-dihe-na	-76.2, 4.92	APE8-dihe-out	-118.21, -12.07	APE8-rot-in	313.69	APE67-dihe-in	-61.46, -21.69	-54.4, -35.57	APE12-dist-out	15.6436	APE11-dist-in	13.4324	APE10-dist-out	18.5772	APE9-dist-out	11.9881	None	None	None	XRAY	2.54	0.187	0.252	A	310.0	291.0	1	26	25	1	[[16, 262]]	1.0	7yaz	TKL_MAP3K20_HUMAN	TKL	1.2e-78	270.4	2.0	266.0	265.0	150	151	152	154	156	45	53	57	130	132	131	133.0	188	176	171	170	169	168	167	166	165	83	Mitogen-activated protein kinase kinase kinase 20

Ligand: IGV

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	1	100.0%	7YAZA

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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
TKL	MAP3K20	M3K20_HUMAN	7YAZA	Q9NYL2	8	299	800.0	IGV:60401	Type1.5_Back	Inactive	DFGin	6.4886	12.9093	BLAplus	-104.08, 163.07	66.5, 24.72	-76.06, -21.05	52.57, 81.45	-94.77, 8.1	out-out	out	17.4485	Saltbr-out	19.2918	HRD-in	-74.32, -47.28	68.42, -12.2	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1429	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioo	APE10-dihe-na	-76.12, -32.07	APE9-dihe-na	-76.2, 4.92	APE8-dihe-out	-118.21, -12.07	APE8-rot-in	313.69	APE67-dihe-in	-61.46, -21.69	-54.4, -35.57	APE12-dist-out	15.6436	APE11-dist-in	13.4324	APE10-dist-out	18.5772	APE9-dist-out	11.9881	None	None	None	XRAY	2.54	0.187	0.252	A	310.0	291.0	1	26	25	1	[[16, 262]]	1.0	7yaz	Homo sapiens	TKL_MAP3K20_HUMAN	TKL	1.2e-78	270.4	2.0	266.0	265.0	150	151	152	154	156	45	53	57	130	132	131	133.0	188	176	171	170	169	168	167	166	165	83	Mitogen-activated protein kinase kinase kinase 20

Ligand: IGV

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