KinCore

Ligand: 9HB

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	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

Ligand: 9HB

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%	5O1SA

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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	RPS6KA3-2	KS6A3_MOUSE	5O1SA	P18654	415	712	740.0	9HB:802,9HB:803	Allosteric,Type1	Inactive	DFGin	6.9597	14.3377	BLAminus	-123.09, 179.41	48.53, 81.77	-90.66, 18.51	296.23, 58.17	-59.0, -20.36	in-in	in	8.7072	Saltbr-in	2.6863	HRD-in	-79.13, -49.77	77.14, -16.1	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0126	ActLoopCT-out	nonTYR	APEdihe_aannn	APEdist_ooon	APE10-dihe-na	-95.95, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 999.0	APE8-rot-none	999.0	APE67-dihe-none	999.0, -151.49	999.0, 999.0	APE12-dist-out	18.9964	APE11-dist-out	18.2505	APE10-dist-out	22.8101	APE9-dist-none	999.0	None	None	None	XRAY	1.9	0.209	0.241	A	364.0	290.0	8	28	25	3	[[68, 327], [422, 679]]	2.0	5o1s	Mus musculus	CAMK_RPS6KA3-2_MOUSE	CAMK	8.4e-87	296.8	1.0	256.0	256.0	560	561	562	564	566	451	463	467	536	538	537	539.0	600	588	583	582	581	580	579	578	577	494	Ribosomal protein S6 kinase alpha-3

Ligand: 9HB

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%	5O1SA

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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	RPS6KA3-2	KS6A3_MOUSE	5O1SA	P18654	415	712	740.0	9HB:802,9HB:803	Allosteric,Type1	Inactive	DFGin	6.9597	14.3377	BLAminus	-123.09, 179.41	48.53, 81.77	-90.66, 18.51	296.23, 58.17	-59.0, -20.36	in-in	in	8.7072	Saltbr-in	2.6863	HRD-in	-79.13, -49.77	77.14, -16.1	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0126	ActLoopCT-out	nonTYR	APEdihe_aannn	APEdist_ooon	APE10-dihe-na	-95.95, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 999.0	APE8-rot-none	999.0	APE67-dihe-none	999.0, -151.49	999.0, 999.0	APE12-dist-out	18.9964	APE11-dist-out	18.2505	APE10-dist-out	22.8101	APE9-dist-none	999.0	None	None	None	XRAY	1.9	0.209	0.241	A	364.0	290.0	8	28	25	3	[[68, 327], [422, 679]]	2.0	5o1s	Mus musculus	CAMK_RPS6KA3-2_MOUSE	CAMK	8.4e-87	296.8	1.0	256.0	256.0	560	561	562	564	566	451	463	467	536	538	537	539.0	600	588	583	582	581	580	579	578	577	494	Ribosomal protein S6 kinase alpha-3