KinCore

Ligand: 3TA

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%	3THBA

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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	3THBA	P53350	42	328	603.0	3TA:1	Type1	Inactive	DFGin	5.7628	14.2461	BLAminus	-135.92, -170.43	55.15, 75.45	-87.11, 14.2	290.23, 88.06	-65.07, -8.71	in-in	in	9.1247	Saltbr-in	3.5491	HRD-in	-66.85, -49.24	73.84, -10.07	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9833	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_ioio	APE10-dihe-na	-91.42, 101.79	APE9-dihe-na	126.02, 172.43	APE8-dihe-in	-121.57, 103.22	APE8-rot-out	68.36	APE67-dihe-out	-75.15, -60.09	-61.3, 157.38	APE12-dist-in	11.5794	APE11-dist-out	7.5519	APE10-dist-in	7.7464	APE9-dist-out	8.6498	T210V	None	None	XRAY	2.5	0.253	0.286	A	333.0	287.0	0	28	28	0	[[53, 305]]	1.0	3thb	CAMK_PLK1_HUMAN	CAMK	1.7e-78	269.4	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: 3TA

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%	3THBA

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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	3THBA	P53350	42	328	603.0	3TA:1	Type1	Inactive	DFGin	5.7628	14.2461	BLAminus	-135.92, -170.43	55.15, 75.45	-87.11, 14.2	290.23, 88.06	-65.07, -8.71	in-in	in	9.1247	Saltbr-in	3.5491	HRD-in	-66.85, -49.24	73.84, -10.07	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9833	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_ioio	APE10-dihe-na	-91.42, 101.79	APE9-dihe-na	126.02, 172.43	APE8-dihe-in	-121.57, 103.22	APE8-rot-out	68.36	APE67-dihe-out	-75.15, -60.09	-61.3, 157.38	APE12-dist-in	11.5794	APE11-dist-out	7.5519	APE10-dist-in	7.7464	APE9-dist-out	8.6498	T210V	None	None	XRAY	2.5	0.253	0.286	A	333.0	287.0	0	28	28	0	[[53, 305]]	1.0	3thb	Homo sapiens	CAMK_PLK1_HUMAN	CAMK	1.7e-78	269.4	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: 3TA

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