KinCore

Ligand: 79C

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%	5TA8A

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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
CAMK	PLK1	PLK1_HUMAN	5TA8A	P53350	37	330	603.0	79C:402	Type1	Inactive	DFGin	5.5977	14.3108	BLAminus	-141.08, -172.7	51.52, 90.37	-96.67, 41.3	290.69, 89.43	-72.33, -19.61	in-in	in	9.1072	Saltbr-in	2.7273	HRD-in	-66.37, -49.24	72.53, -11.97	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8816	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_ioio	APE10-dihe-na	-88.19, 81.36	APE9-dihe-na	134.61, 175.47	APE8-dihe-in	-125.29, 109.1	APE8-rot-out	49.04	APE67-dihe-out	-73.09, -62.08	-71.65, 169.34	APE12-dist-in	10.8099	APE11-dist-out	7.4727	APE10-dist-in	7.1878	APE9-dist-out	8.6926	None	None	None	XRAY	2.6	0.185	0.247	A	358.0	294.0	0	28	28	0	[[53, 305]]	1.0	5ta8	CAMK_PLK1_HUMAN	CAMK	2.2e-78	269.1	1.0	256.0	256.0	193	194	195	197	199	82	101	105	173	175	174	176.0	233	221	216	215	214	213	212	211	210	131	Serine/threonine-protein kinase PLK1

Ligand: 79C

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%	5TA8A

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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
CAMK	PLK1	PLK1_HUMAN	5TA8A	P53350	37	330	603.0	79C:402	Type1	Inactive	DFGin	5.5977	14.3108	BLAminus	-141.08, -172.7	51.52, 90.37	-96.67, 41.3	290.69, 89.43	-72.33, -19.61	in-in	in	9.1072	Saltbr-in	2.7273	HRD-in	-66.37, -49.24	72.53, -11.97	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8816	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_ioio	APE10-dihe-na	-88.19, 81.36	APE9-dihe-na	134.61, 175.47	APE8-dihe-in	-125.29, 109.1	APE8-rot-out	49.04	APE67-dihe-out	-73.09, -62.08	-71.65, 169.34	APE12-dist-in	10.8099	APE11-dist-out	7.4727	APE10-dist-in	7.1878	APE9-dist-out	8.6926	None	None	None	XRAY	2.6	0.185	0.247	A	358.0	294.0	0	28	28	0	[[53, 305]]	1.0	5ta8	Homo sapiens	CAMK_PLK1_HUMAN	CAMK	2.2e-78	269.1	1.0	256.0	256.0	193	194	195	197	199	82	101	105	173	175	174	176.0	233	221	216	215	214	213	212	211	210	131	Serine/threonine-protein kinase PLK1

Ligand: 79C

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