KinCore

Ligand: 85V

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: 85V

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%	5UFUA

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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	PRKAA1	AAPK1_MOUSE	5UFUA	Q5EG47	20	559	559.0	STU:60601,85V:60602	Type1,Allosteric	Inactive	DFGin	7.217	14.2462	BLAminus	-131.5, 162.6	65.85, 93.86	-99.38, 24.57	280.79, 65.36	-57.61, -46.84	in-in	in	9.7642	Saltbr-in	2.7483	HRD-out	-69.82, 100.36	-85.07, 166.65	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7449	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiio	APE10-dihe-na	-90.3, 155.77	APE9-dihe-na	100.05, 157.58	APE8-dihe-in	-52.88, 143.31	APE8-rot-out	164.19	APE67-dihe-in	-65.21, -41.11	-61.15, -33.48	APE12-dist-in	7.5744	APE11-dist-in	11.0949	APE10-dist-in	5.1302	APE9-dist-out	6.066	None	TPO183	TPO183	XRAY	3.45	0.195	0.238	A	503.0	249.0	0	27	27	0	[[27, 279]]	1.0	5ufu	Mus musculus	CAMK_PRKAA1_MOUSE	CAMK	3.9e-89	304.5	1.0	256.0	256.0	167	168	169	171	173	56	75	79	147	149	148	150.0	207	194	189	188	187	186	185	184	183	105	5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligand: 85V

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%	5UFUA

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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	PRKAA1	AAPK1_MOUSE	5UFUA	Q5EG47	20	559	559.0	STU:60601,85V:60602	Type1,Allosteric	Inactive	DFGin	7.217	14.2462	BLAminus	-131.5, 162.6	65.85, 93.86	-99.38, 24.57	280.79, 65.36	-57.61, -46.84	in-in	in	9.7642	Saltbr-in	2.7483	HRD-out	-69.82, 100.36	-85.07, 166.65	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7449	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiio	APE10-dihe-na	-90.3, 155.77	APE9-dihe-na	100.05, 157.58	APE8-dihe-in	-52.88, 143.31	APE8-rot-out	164.19	APE67-dihe-in	-65.21, -41.11	-61.15, -33.48	APE12-dist-in	7.5744	APE11-dist-in	11.0949	APE10-dist-in	5.1302	APE9-dist-out	6.066	None	TPO183	TPO183	XRAY	3.45	0.195	0.238	A	503.0	249.0	0	27	27	0	[[27, 279]]	1.0	5ufu	Mus musculus	CAMK_PRKAA1_MOUSE	CAMK	3.9e-89	304.5	1.0	256.0	256.0	167	168	169	171	173	56	75	79	147	149	148	150.0	207	194	189	188	187	186	185	184	183	105	5'-AMP-activated protein kinase catalytic subunit alpha-1