KinCore

Ligand: 1C7

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%	4I6FA

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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	PLK2	PLK2_HUMAN	4I6FA	Q9NYY3	71	355	685.0	1C7:401	Type1	Inactive	DFGin	6.4836	14.9978	BLAminus	-142.4, -159.6	46.66, 77.31	-93.62, 46.7	280.93, 90.94	-92.83, -15.19	in-in	in	9.1714	Saltbr-in	3.2705	HRD-in	-75.1, -42.09	65.35, 5.05	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7813	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iiio	APE10-dihe-na	-72.07, 132.67	APE9-dihe-na	51.18, -147.47	APE8-dihe-in	-143.37, 86.63	APE8-rot-out	173.45	APE67-dihe-out	-81.72, -36.81	-61.94, 167.48	APE12-dist-in	13.0131	APE11-dist-in	11.1084	APE10-dist-in	6.3605	APE9-dist-out	7.7477	C83S,V87T,A119S,A216S,C259A,C291S,L335T	None	None	XRAY	2.9	0.235	0.321	A	308.0	285.0	0	28	28	0	[[82, 334]]	1.0	4i6f	CAMK_PLK2_HUMAN	CAMK	2.6e-82	281.9	1.0	256.0	256.0	222	223	224	226	228	111	130	134	202	204	203	205.0	262	250	245	244	243	242	241	240	239	160	Serine/threonine-protein kinase PLK2

Ligand: 1C7

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%	4I6FA

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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	PLK2	PLK2_HUMAN	4I6FA	Q9NYY3	71	355	685.0	1C7:401	Type1	Inactive	DFGin	6.4836	14.9978	BLAminus	-142.4, -159.6	46.66, 77.31	-93.62, 46.7	280.93, 90.94	-92.83, -15.19	in-in	in	9.1714	Saltbr-in	3.2705	HRD-in	-75.1, -42.09	65.35, 5.05	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7813	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iiio	APE10-dihe-na	-72.07, 132.67	APE9-dihe-na	51.18, -147.47	APE8-dihe-in	-143.37, 86.63	APE8-rot-out	173.45	APE67-dihe-out	-81.72, -36.81	-61.94, 167.48	APE12-dist-in	13.0131	APE11-dist-in	11.1084	APE10-dist-in	6.3605	APE9-dist-out	7.7477	C83S,V87T,A119S,A216S,C259A,C291S,L335T	None	None	XRAY	2.9	0.235	0.321	A	308.0	285.0	0	28	28	0	[[82, 334]]	1.0	4i6f	Homo sapiens	CAMK_PLK2_HUMAN	CAMK	2.6e-82	281.9	1.0	256.0	256.0	222	223	224	226	228	111	130	134	202	204	203	205.0	262	250	245	244	243	242	241	240	239	160	Serine/threonine-protein kinase PLK2

Ligand: 1C7

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