KinCore

Ligand: AD6

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: AD6

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	2	100.0%	2VGPB

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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	AURKBA	AUKBA_XENLA	2VGPA	Q6DE08	88	356	361.0	AD6:1357	Type1	Inactive	DFGin	5.449	15.891	ABAminus	-98.3, -33.69	-126.95, 134.94	-124.01, 35.67	285.65, 84.26	-61.41, -32.04	out-out	out	10.762	Saltbr-out	5.952	HRD-in	-76.86, -54.63	73.7, 5.15	out-in-in	SNCoii	in-in	ActLoopNT-in	2.97	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-153.89, 166.18	APE9-dihe-na	114.03, -139.03	APE8-dihe-in	-137.76, 134.4	APE8-rot-in	302.62	APE67-dihe-in	-68.68, -14.97	-37.15, -59.6	APE12-dist-in	8.28	APE11-dist-in	10.956	APE10-dist-in	5.356	APE9-dist-in	3.514	None	TPO248	TPO248	XRAY	1.7	0.208	0.243	A	284	266	3	0	0	0	[[93, 343]]	1.0	2vgp	Xenopus laevis	CAMK_AURKBA_XENLA	CAMK	2.5e-77	265.6	1	256	256	233	234	235	237	239	122	141	145	213	215	214	216	271	259	254	253	252	251	250	249	248	171	Aurora kinase B-A
CAMK	AURKBA	AUKBA_XENLA	2VGPB	Q6DE08	78	355	361.0	AD6:1356	Type1	Inactive	DFGin	5.859	15.987	ABAminus	-105.69, -38.32	-114.16, 121.11	-114.2, 30.35	282.27, 78.52	-64.28, -21.51	out-out	out	10.998	Saltbr-out	5.808	HRD-in	-76.18, -52.02	74.91, -0.98	out-in-in	SNCoii	in-in	ActLoopNT-in	2.963	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.19, 163.44	APE9-dihe-na	125.86, -148.39	APE8-dihe-in	-139.78, 135.67	APE8-rot-in	306.38	APE67-dihe-in	-62.24, -22.22	-42.75, -57.14	APE12-dist-in	7.943	APE11-dist-in	10.793	APE10-dist-in	5.269	APE9-dist-in	3.582	None	TPO248	TPO248	XRAY	1.7	0.208	0.243	B	284	278	0	0	0	0	[[93, 343]]	1.0	2vgp	Xenopus laevis	CAMK_AURKBA_XENLA	CAMK	2.5e-77	265.6	1	256	256	233	234	235	237	239	122	141	145	213	215	214	216	271	259	254	253	252	251	250	249	248	171	Aurora kinase B-A

Ligand: AD6

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	2	100.0%	2VGPB

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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	AURKBA	AUKBA_XENLA	2VGPA	Q6DE08	88	356	361.0	AD6:1357	Type1	Inactive	DFGin	5.449	15.891	ABAminus	-98.3, -33.69	-126.95, 134.94	-124.01, 35.67	285.65, 84.26	-61.41, -32.04	out-out	out	10.762	Saltbr-out	5.952	HRD-in	-76.86, -54.63	73.7, 5.15	out-in-in	SNCoii	in-in	ActLoopNT-in	2.97	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-153.89, 166.18	APE9-dihe-na	114.03, -139.03	APE8-dihe-in	-137.76, 134.4	APE8-rot-in	302.62	APE67-dihe-in	-68.68, -14.97	-37.15, -59.6	APE12-dist-in	8.28	APE11-dist-in	10.956	APE10-dist-in	5.356	APE9-dist-in	3.514	None	TPO248	TPO248	XRAY	1.7	0.208	0.243	A	284	266	3	0	0	0	[[93, 343]]	1.0	2vgp	Xenopus laevis	CAMK_AURKBA_XENLA	CAMK	2.5e-77	265.6	1	256	256	233	234	235	237	239	122	141	145	213	215	214	216	271	259	254	253	252	251	250	249	248	171	Aurora kinase B-A
CAMK	AURKBA	AUKBA_XENLA	2VGPB	Q6DE08	78	355	361.0	AD6:1356	Type1	Inactive	DFGin	5.859	15.987	ABAminus	-105.69, -38.32	-114.16, 121.11	-114.2, 30.35	282.27, 78.52	-64.28, -21.51	out-out	out	10.998	Saltbr-out	5.808	HRD-in	-76.18, -52.02	74.91, -0.98	out-in-in	SNCoii	in-in	ActLoopNT-in	2.963	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.19, 163.44	APE9-dihe-na	125.86, -148.39	APE8-dihe-in	-139.78, 135.67	APE8-rot-in	306.38	APE67-dihe-in	-62.24, -22.22	-42.75, -57.14	APE12-dist-in	7.943	APE11-dist-in	10.793	APE10-dist-in	5.269	APE9-dist-in	3.582	None	TPO248	TPO248	XRAY	1.7	0.208	0.243	B	284	278	0	0	0	0	[[93, 343]]	1.0	2vgp	Xenopus laevis	CAMK_AURKBA_XENLA	CAMK	2.5e-77	265.6	1	256	256	233	234	235	237	239	122	141	145	213	215	214	216	271	259	254	253	252	251	250	249	248	171	Aurora kinase B-A