KinCore

PDB: 4O0S — 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%	4O0SA

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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	4O0SA	O14965	126	391	403.0	ADN:500	Type1	Inactive	DFGin	6.0576	16.5586	BLAminus	-149.62, -178.05	57.82, 65.99	-83.76, 4.5	260.08, 87.32	-48.25, -52.63	out-out	out	10.5115	Saltbr-out	4.1117	HRD-in	-67.13, -53.86	77.45, -15.34	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9445	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-80.39, -35.33	APE9-dihe-na	-145.46, 176.17	APE8-dihe-in	-59.32, 141.88	APE8-rot-out	196.74	APE67-dihe-in	-51.21, -41.15	-95.86, -1.7	APE12-dist-in	12.4771	APE11-dist-in	13.4802	APE10-dist-out	10.7317	APE9-dist-out	11.0274	None	None	None	XRAY	2.5	0.238	0.25	A	282.0	265.0	1	26	25	1	[[133, 383]]	1.0	4o0s	CAMK_AURKA_HUMAN	CAMK	7.4e-80	273.9	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: 4O0S — 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%	4O0SA

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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	4O0SA	O14965	126	391	403.0	ADN:500	Type1	Inactive	DFGin	6.0576	16.5586	BLAminus	-149.62, -178.05	57.82, 65.99	-83.76, 4.5	260.08, 87.32	-48.25, -52.63	out-out	out	10.5115	Saltbr-out	4.1117	HRD-in	-67.13, -53.86	77.45, -15.34	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9445	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-80.39, -35.33	APE9-dihe-na	-145.46, 176.17	APE8-dihe-in	-59.32, 141.88	APE8-rot-out	196.74	APE67-dihe-in	-51.21, -41.15	-95.86, -1.7	APE12-dist-in	12.4771	APE11-dist-in	13.4802	APE10-dist-out	10.7317	APE9-dist-out	11.0274	None	None	None	XRAY	2.5	0.238	0.25	A	282.0	265.0	1	26	25	1	[[133, 383]]	1.0	4o0s	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	7.4e-80	273.9	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: 4O0S — 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