KinCore

PDB: 5OS6 — CAMK AURKA_HUMAN

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%	5OS6A

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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	5OS6A	O14965	127	391	403.0	ADP:401,A7Q:404	ATPlike,Allosteric	Inactive	DFGin	6.0291	15.7815	BLAminus	-126.13, -169.53	51.73, 76.81	-92.36, 19.58	272.42, 79.82	-57.78, -34.45	in-in	in	9.2445	Saltbr-in	2.995	HRD-in	-81.41, -52.88	69.05, 4.37	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0404	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-77.03, -70.53	APE9-dihe-na	-90.32, -115.88	APE8-dihe-in	-84.85, 141.6	APE8-rot-out	180.13	APE67-dihe-in	-64.32, -26.41	-86.27, 0.74	APE12-dist-in	12.2131	APE11-dist-in	10.8263	APE10-dist-out	10.7401	APE9-dist-out	10.9916	None	TPO288	TPO288	XRAY	2.2	0.216	0.277	A	265.0	265.0	0	26	26	0	[[133, 383]]	1.0	5os6	CAMK_AURKA_HUMAN	CAMK	7.2e-79	270.6	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A

PDB: 5OS6 — CAMK AURKA_HUMAN

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%	5OS6A

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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	5OS6A	O14965	127	391	403.0	ADP:401,A7Q:404	ATPlike,Allosteric	Inactive	DFGin	6.0291	15.7815	BLAminus	-126.13, -169.53	51.73, 76.81	-92.36, 19.58	272.42, 79.82	-57.78, -34.45	in-in	in	9.2445	Saltbr-in	2.995	HRD-in	-81.41, -52.88	69.05, 4.37	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0404	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-77.03, -70.53	APE9-dihe-na	-90.32, -115.88	APE8-dihe-in	-84.85, 141.6	APE8-rot-out	180.13	APE67-dihe-in	-64.32, -26.41	-86.27, 0.74	APE12-dist-in	12.2131	APE11-dist-in	10.8263	APE10-dist-out	10.7401	APE9-dist-out	10.9916	None	TPO288	TPO288	XRAY	2.2	0.216	0.277	A	265.0	265.0	0	26	26	0	[[133, 383]]	1.0	5os6	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	7.2e-79	270.6	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A

PDB: 5OS6 — CAMK AURKA_HUMAN

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