KinCore

Ligand: 11G

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%	4I6BA

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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	4I6BA	Q9NYY3	71	355	685.0	11G:401	Type1	Inactive	DFGin	5.8518	14.9353	BLAminus	-134.56, -163.76	55.52, 80.17	-89.06, 19.76	294.04, 89.31	-44.82, -31.06	in-in	in	9.4125	Saltbr-in	2.8023	HRD-in	-73.49, -52.03	76.48, -3.64	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7852	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iiio	APE10-dihe-na	-83.75, 124.04	APE9-dihe-na	53.51, -153.67	APE8-dihe-in	-130.71, 84.12	APE8-rot-out	183.58	APE67-dihe-out	-74.13, -36.74	-76.62, 168.87	APE12-dist-in	13.1012	APE11-dist-in	11.3729	APE10-dist-in	6.3231	APE9-dist-out	7.4081	C83S,V87T,A119S,A216S,C259A,C291S,L335T	None	None	XRAY	1.8	0.234	0.29	A	308.0	285.0	0	28	28	0	[[82, 334]]	1.0	4i6b	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: 11G

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%	4I6BA

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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	4I6BA	Q9NYY3	71	355	685.0	11G:401	Type1	Inactive	DFGin	5.8518	14.9353	BLAminus	-134.56, -163.76	55.52, 80.17	-89.06, 19.76	294.04, 89.31	-44.82, -31.06	in-in	in	9.4125	Saltbr-in	2.8023	HRD-in	-73.49, -52.03	76.48, -3.64	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7852	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iiio	APE10-dihe-na	-83.75, 124.04	APE9-dihe-na	53.51, -153.67	APE8-dihe-in	-130.71, 84.12	APE8-rot-out	183.58	APE67-dihe-out	-74.13, -36.74	-76.62, 168.87	APE12-dist-in	13.1012	APE11-dist-in	11.3729	APE10-dist-in	6.3231	APE9-dist-out	7.4081	C83S,V87T,A119S,A216S,C259A,C291S,L335T	None	None	XRAY	1.8	0.234	0.29	A	308.0	285.0	0	28	28	0	[[82, 334]]	1.0	4i6b	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: 11G

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