KinCore

Ligand: AK7

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: AK7

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%	3DJ7A

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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	AURKA	AURKA_MOUSE	3DJ7A	P97477	117	379	395.0	AK7:60001	Type1.5_Front	Inactive	DFGin	6.747	16.2637	BLAminus	-136.71, 173.78	65.51, 86.14	-100.61, 22.92	284.54, 84.94	-64.18, -29.0	out-out	out	11.1438	Saltbr-out	7.5015	HRD-in	-76.06, -47.14	68.45, -12.93	out-in-out	SNCoio	in-out	ActLoopNT-in	2.8447	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -39.63	APE9-dihe-na	-153.17, -157.42	APE8-dihe-in	-67.83, 166.09	APE8-rot-out	60.32	APE67-dihe-in	-43.83, -37.54	-88.19, -6.99	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	8.6443	APE9-dist-out	10.4942	N164G,K218R,M280L	None	None	XRAY	2.8	0.269	0.296	A	272.0	257.0	6	26	20	6	[[124, 374]]	1.0	3dj7	Mus musculus	CAMK_AURKA_MOUSE	CAMK	4.9e-80	274.5	1.0	256.0	256.0	264	265	266	268	270	153	172	176	244	246	245	247.0	302	290	285	284	283	282	281	280	279	202	Aurora kinase A

Ligand: AK7

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%	3DJ7A

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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	AURKA	AURKA_MOUSE	3DJ7A	P97477	117	379	395.0	AK7:60001	Type1.5_Front	Inactive	DFGin	6.747	16.2637	BLAminus	-136.71, 173.78	65.51, 86.14	-100.61, 22.92	284.54, 84.94	-64.18, -29.0	out-out	out	11.1438	Saltbr-out	7.5015	HRD-in	-76.06, -47.14	68.45, -12.93	out-in-out	SNCoio	in-out	ActLoopNT-in	2.8447	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -39.63	APE9-dihe-na	-153.17, -157.42	APE8-dihe-in	-67.83, 166.09	APE8-rot-out	60.32	APE67-dihe-in	-43.83, -37.54	-88.19, -6.99	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	8.6443	APE9-dist-out	10.4942	N164G,K218R,M280L	None	None	XRAY	2.8	0.269	0.296	A	272.0	257.0	6	26	20	6	[[124, 374]]	1.0	3dj7	Mus musculus	CAMK_AURKA_MOUSE	CAMK	4.9e-80	274.5	1.0	256.0	256.0	264	265	266	268	270	153	172	176	244	246	245	247.0	302	290	285	284	283	282	281	280	279	202	Aurora kinase A