KinCore

Ligand: 2QU

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%	4OBPA

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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
STE	MAP4K4	M4K4_HUMAN	4OBPA	O95819	13	310	1239.0	2QU:403	Type1	Inactive	DFGin	4.7836	13.6033	BLAminus	-128.97, 169.5	73.58, 97.9	-102.12, 12.88	285.67, 94.77	-56.69, -42.4	in-in	in	7.6876	Saltbr-in	2.7419	HRD-in	-62.61, -50.95	78.28, -17.04	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0417	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-83.6, 129.84	APE9-dihe-na	-78.54, -153.27	APE8-dihe-in	-70.63, 136.27	APE8-rot-out	187.06	APE67-dihe-in	-56.16, -28.41	-93.67, -10.95	APE12-dist-in	11.6203	APE11-dist-in	11.0033	APE10-dist-out	10.7337	APE9-dist-out	8.986	None	None	None	XRAY	2.27	0.206	0.247	A	332.0	285.0	13	28	19	9	[[25, 289]]	1.0	4obp	STE_MAP4K4_HUMAN	STE	1.7e-102	348.1	1.0	257.0	257.0	170	171	172	174	176	54	69	73	150	152	151	153.0	215	198	193	192	191	190	189	188	187	106	Mitogen-activated protein kinase kinase kinase kinase 4

Ligand: 2QU

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%	4OBPA

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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
STE	MAP4K4	M4K4_HUMAN	4OBPA	O95819	13	310	1239.0	2QU:403	Type1	Inactive	DFGin	4.7836	13.6033	BLAminus	-128.97, 169.5	73.58, 97.9	-102.12, 12.88	285.67, 94.77	-56.69, -42.4	in-in	in	7.6876	Saltbr-in	2.7419	HRD-in	-62.61, -50.95	78.28, -17.04	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0417	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-83.6, 129.84	APE9-dihe-na	-78.54, -153.27	APE8-dihe-in	-70.63, 136.27	APE8-rot-out	187.06	APE67-dihe-in	-56.16, -28.41	-93.67, -10.95	APE12-dist-in	11.6203	APE11-dist-in	11.0033	APE10-dist-out	10.7337	APE9-dist-out	8.986	None	None	None	XRAY	2.27	0.206	0.247	A	332.0	285.0	13	28	19	9	[[25, 289]]	1.0	4obp	Homo sapiens	STE_MAP4K4_HUMAN	STE	1.7e-102	348.1	1.0	257.0	257.0	170	171	172	174	176	54	69	73	150	152	151	153.0	215	198	193	192	191	190	189	188	187	106	Mitogen-activated protein kinase kinase kinase kinase 4

Ligand: 2QU

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