KinCore

Ligand: 0C5

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	2	100.0%	3UOJA

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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	AURKA	AURKA_HUMAN	3UOJA	O14965	127	389	403.0	0C5:1	Type1	Inactive	DFGinter	6.25	8.652	None	-89.03, -64.22	49.6, -140.48	55.65, -113.8	181.43, 6.66	-48.52, 138.84	out-out	out	12.901	Saltbr-out	10.167	HRD-out	77.34, -11.89	-40.57, 125.77	out-out-out	SNCooo	out-out	ActLoopNT-out	16.765	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oioo	APE10-dihe-na	98.97, 1.26	APE9-dihe-na	-102.25, -2.44	APE8-dihe-out	-61.85, -58.87	APE8-rot-out	33.31	APE67-dihe-in	-56.59, -30.78	-67.25, -33.49	APE12-dist-out	15.388	APE11-dist-in	12.589	APE10-dist-out	17.417	APE9-dist-out	14.292	T287D	None	None	XRAY	2.9	0.227	0.274	A	279	263	0	0	0	0	[[133, 383]]	1.0	3uoj	CAMK_AURKA_HUMAN	CAMK	8.7e-80	273.7	1	256	256	273	274	275	277	279	162	181	185	253	255	254	256	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	3UOJB	O14965	127	389	403.0	0C5:2	Type1	Inactive	DFGinter	6.264	8.645	None	-88.87, -64.57	49.7, -140.5	55.59, -113.73	181.06, 6.55	-48.5, 138.54	out-out	out	12.909	Saltbr-out	10.148	HRD-out	77.24, -11.84	-40.35, 125.95	out-out-out	SNCooo	out-out	ActLoopNT-out	16.76	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oioo	APE10-dihe-na	98.86, 1.29	APE9-dihe-na	-101.95, -2.75	APE8-dihe-out	-62.17, -58.93	APE8-rot-out	33.01	APE67-dihe-in	-57.8, -30.14	-66.39, -33.04	APE12-dist-out	15.387	APE11-dist-in	12.586	APE10-dist-out	17.416	APE9-dist-out	14.289	T287D	None	None	XRAY	2.9	0.227	0.274	B	279	263	0	0	0	0	[[133, 383]]	1.0	3uoj	CAMK_AURKA_HUMAN	CAMK	8.7e-80	273.7	1	256	256	273	274	275	277	279	162	181	185	253	255	254	256	311	299	294	293	292	291	290	289	288	211	Aurora kinase A

Ligand: 0C5

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	2	100.0%	3UOJA

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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_HUMAN	3UOJA	O14965	127	389	403.0	0C5:1	Type1	Inactive	DFGinter	6.25	8.652	None	-89.03, -64.22	49.6, -140.48	55.65, -113.8	181.43, 6.66	-48.52, 138.84	out-out	out	12.901	Saltbr-out	10.167	HRD-out	77.34, -11.89	-40.57, 125.77	out-out-out	SNCooo	out-out	ActLoopNT-out	16.765	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oioo	APE10-dihe-na	98.97, 1.26	APE9-dihe-na	-102.25, -2.44	APE8-dihe-out	-61.85, -58.87	APE8-rot-out	33.31	APE67-dihe-in	-56.59, -30.78	-67.25, -33.49	APE12-dist-out	15.388	APE11-dist-in	12.589	APE10-dist-out	17.417	APE9-dist-out	14.292	T287D	None	None	XRAY	2.9	0.227	0.274	A	279	263	0	0	0	0	[[133, 383]]	1.0	3uoj	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	8.7e-80	273.7	1	256	256	273	274	275	277	279	162	181	185	253	255	254	256	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	3UOJB	O14965	127	389	403.0	0C5:2	Type1	Inactive	DFGinter	6.264	8.645	None	-88.87, -64.57	49.7, -140.5	55.59, -113.73	181.06, 6.55	-48.5, 138.54	out-out	out	12.909	Saltbr-out	10.148	HRD-out	77.24, -11.84	-40.35, 125.95	out-out-out	SNCooo	out-out	ActLoopNT-out	16.76	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oioo	APE10-dihe-na	98.86, 1.29	APE9-dihe-na	-101.95, -2.75	APE8-dihe-out	-62.17, -58.93	APE8-rot-out	33.01	APE67-dihe-in	-57.8, -30.14	-66.39, -33.04	APE12-dist-out	15.387	APE11-dist-in	12.586	APE10-dist-out	17.416	APE9-dist-out	14.289	T287D	None	None	XRAY	2.9	0.227	0.274	B	279	263	0	0	0	0	[[133, 383]]	1.0	3uoj	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	8.7e-80	273.7	1	256	256	273	274	275	277	279	162	181	185	253	255	254	256	311	299	294	293	292	291	290	289	288	211	Aurora kinase A

Ligand: 0C5

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