KinCore

Ligand: QM2

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%	6ZJFA

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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	STK17B	ST17B_HUMAN	6ZJFA	O94768	25	309	372.0	QM2:60401	Type1	Inactive	DFGin	6.14	14.3428	BLAminus	-127.61, 166.55	70.06, 82.09	-90.62, 21.05	287.4, 82.39	-60.71, -29.44	out-out	out	10.1653	Saltbr-out	4.6535	HRD-in	-75.81, -47.71	66.09, 10.71	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-118.2, 14.14	APE9-dihe-na	-49.98, 178.53	APE8-dihe-in	-66.77, 122.8	APE8-rot-in	306.93	APE67-dihe-in	-67.95, -9.14	-50.36, -43.88	APE12-dist-in	7.9456	APE11-dist-in	11.7082	APE10-dist-out	9.8338	APE9-dist-out	6.2795	None	None	None	XRAY	1.75	0.181	0.21	A	327.0	285.0	0	27	27	0	[[32, 293]]	1.0	6zjf	CAMK_STK17B_HUMAN	CAMK	1.4e-81	279.8	4.0	256.0	253.0	178	179	180	182	184	62	80	84	155	157	156	158.0	217	205	200	199	198	197	196	195	194	111	Serine/threonine-protein kinase 17B

Ligand: QM2

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%	6ZJFA

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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	STK17B	ST17B_HUMAN	6ZJFA	O94768	25	309	372.0	QM2:60401	Type1	Inactive	DFGin	6.14	14.3428	BLAminus	-127.61, 166.55	70.06, 82.09	-90.62, 21.05	287.4, 82.39	-60.71, -29.44	out-out	out	10.1653	Saltbr-out	4.6535	HRD-in	-75.81, -47.71	66.09, 10.71	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-118.2, 14.14	APE9-dihe-na	-49.98, 178.53	APE8-dihe-in	-66.77, 122.8	APE8-rot-in	306.93	APE67-dihe-in	-67.95, -9.14	-50.36, -43.88	APE12-dist-in	7.9456	APE11-dist-in	11.7082	APE10-dist-out	9.8338	APE9-dist-out	6.2795	None	None	None	XRAY	1.75	0.181	0.21	A	327.0	285.0	0	27	27	0	[[32, 293]]	1.0	6zjf	Homo sapiens	CAMK_STK17B_HUMAN	CAMK	1.4e-81	279.8	4.0	256.0	253.0	178	179	180	182	184	62	80	84	155	157	156	158.0	217	205	200	199	198	197	196	195	194	111	Serine/threonine-protein kinase 17B

Ligand: QM2

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