KinCore

Ligand: C9R

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%	6JUUA

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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	6JUUA	Q9NYL2	8	299	800.0	C9R:401	Type1.5_Back	Inactive	DFGin	6.5449	12.5212	BLAplus	-115.43, 157.64	70.58, 18.67	-63.52, -23.08	56.3, 81.41	-96.97, -0.08	out-out	out	17.0312	Saltbr-out	18.8425	HRD-in	-69.4, -60.75	82.42, -9.38	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4432	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioo	APE10-dihe-na	-60.51, -41.04	APE9-dihe-na	-59.26, -31.61	APE8-dihe-out	-82.47, -8.82	APE8-rot-in	313.39	APE67-dihe-in	-57.15, -29.55	-56.71, -35.8	APE12-dist-out	15.6625	APE11-dist-in	13.2716	APE10-dist-out	18.1465	APE9-dist-out	12.192	None	None	None	XRAY	1.903	0.168	0.21	A	310.0	292.0	0	26	26	0	[[16, 262]]	1.0	6juu	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: C9R

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%	6JUUA

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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	6JUUA	Q9NYL2	8	299	800.0	C9R:401	Type1.5_Back	Inactive	DFGin	6.5449	12.5212	BLAplus	-115.43, 157.64	70.58, 18.67	-63.52, -23.08	56.3, 81.41	-96.97, -0.08	out-out	out	17.0312	Saltbr-out	18.8425	HRD-in	-69.4, -60.75	82.42, -9.38	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4432	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oioo	APE10-dihe-na	-60.51, -41.04	APE9-dihe-na	-59.26, -31.61	APE8-dihe-out	-82.47, -8.82	APE8-rot-in	313.39	APE67-dihe-in	-57.15, -29.55	-56.71, -35.8	APE12-dist-out	15.6625	APE11-dist-in	13.2716	APE10-dist-out	18.1465	APE9-dist-out	12.192	None	None	None	XRAY	1.903	0.168	0.21	A	310.0	292.0	0	26	26	0	[[16, 262]]	1.0	6juu	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: C9R

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