KinCore

Ligand: OND

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%	6PK6A

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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
CMGC	PRP4K	PRP4K_HUMAN	6PK6A	Q13523	668	1005	1007.0	OND:1102	Type1	Inactive	DFGin	6.2435	14.3665	BLAminus	-129.14, 178.29	58.69, 90.15	-100.68, 26.6	295.02, 86.44	-71.14, -23.92	in-in	in	8.9411	Saltbr-in	2.5812	HRD-in	-65.46, -52.97	68.11, 22.97	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8631	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioi	APE10-dihe-na	-66.39, 136.15	APE9-dihe-na	78.75, 140.8	APE8-dihe-in	-51.09, 131.73	APE8-rot-in	295.49	APE67-dihe-in	-61.15, -25.28	-51.44, -46.39	APE12-dist-out	15.3302	APE11-dist-in	11.4353	APE10-dist-out	8.429	APE9-dist-in	3.1859	None	PTR849	PTR849	XRAY	2.1	0.19	0.216	A	351.0	338.0	0	26	26	0	[[687, 1003]]	1.0	6pk6	CMGC_PRP4K_HUMAN	CMGC	1.8e-82	282.8	1.0	301.0	301.0	833	834	835	837	839	717	732	736	812	814	813	815.0	871	859	854	853	852	851	850	849	848	768	Serine/threonine-protein kinase PRP4 homolog

Ligand: OND

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%	6PK6A

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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
CMGC	PRP4K	PRP4K_HUMAN	6PK6A	Q13523	668	1005	1007.0	OND:1102	Type1	Inactive	DFGin	6.2435	14.3665	BLAminus	-129.14, 178.29	58.69, 90.15	-100.68, 26.6	295.02, 86.44	-71.14, -23.92	in-in	in	8.9411	Saltbr-in	2.5812	HRD-in	-65.46, -52.97	68.11, 22.97	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8631	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioi	APE10-dihe-na	-66.39, 136.15	APE9-dihe-na	78.75, 140.8	APE8-dihe-in	-51.09, 131.73	APE8-rot-in	295.49	APE67-dihe-in	-61.15, -25.28	-51.44, -46.39	APE12-dist-out	15.3302	APE11-dist-in	11.4353	APE10-dist-out	8.429	APE9-dist-in	3.1859	None	PTR849	PTR849	XRAY	2.1	0.19	0.216	A	351.0	338.0	0	26	26	0	[[687, 1003]]	1.0	6pk6	Homo sapiens	CMGC_PRP4K_HUMAN	CMGC	1.8e-82	282.8	1.0	301.0	301.0	833	834	835	837	839	717	732	736	812	814	813	815.0	871	859	854	853	852	851	850	849	848	768	Serine/threonine-protein kinase PRP4 homolog

Ligand: OND

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