KinCore

PDB: 6JUT — TKL M3K20_HUMAN

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%	6JUTA

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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	6JUTA	Q9NYL2	8	304	800.0	C9O:401	Type1.5_Back	Inactive	DFGin	6.1481	12.6624	BLAplus	-114.7, 160.54	66.2, 27.22	-75.05, -8.98	54.77, 76.79	-98.32, -6.07	out-out	out	13.2896	Saltbr-out	13.7244	HRD-in	-61.65, -58.69	73.8, -5.87	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1187	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_iioo	APE10-dihe-na	-57.82, 127.21	APE9-dihe-na	91.36, -5.91	APE8-dihe-out	-116.32, -16.6	APE8-rot-in	301.48	APE67-dihe-in	-58.74, -27.01	-46.23, -39.09	APE12-dist-in	10.7442	APE11-dist-in	13.6307	APE10-dist-out	16.8001	APE9-dist-out	12.098	None	None	None	XRAY	2.1	0.181	0.222	A	310.0	297.0	0	26	26	0	[[16, 262]]	1.0	6jut	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

PDB: 6JUT — TKL M3K20_HUMAN

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%	6JUTA

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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	6JUTA	Q9NYL2	8	304	800.0	C9O:401	Type1.5_Back	Inactive	DFGin	6.1481	12.6624	BLAplus	-114.7, 160.54	66.2, 27.22	-75.05, -8.98	54.77, 76.79	-98.32, -6.07	out-out	out	13.2896	Saltbr-out	13.7244	HRD-in	-61.65, -58.69	73.8, -5.87	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1187	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_iioo	APE10-dihe-na	-57.82, 127.21	APE9-dihe-na	91.36, -5.91	APE8-dihe-out	-116.32, -16.6	APE8-rot-in	301.48	APE67-dihe-in	-58.74, -27.01	-46.23, -39.09	APE12-dist-in	10.7442	APE11-dist-in	13.6307	APE10-dist-out	16.8001	APE9-dist-out	12.098	None	None	None	XRAY	2.1	0.181	0.222	A	310.0	297.0	0	26	26	0	[[16, 262]]	1.0	6jut	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

PDB: 6JUT — TKL M3K20_HUMAN

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