KinCore

Ligand: A1ILN

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9GHRA

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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	DFG-Asp_rot_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Asp χ1,χ2	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
TYR	EGFR	EGFR_HUMAN	9GHRA	P00533	697	1020	1210.0	A1ILN:1101	Type1	Active	DFGin	5.811	14.367	BLAminus	DFGAsp-rot-in	-146.4002, -167.2653	58.3044, 80.8868	196.3097, -3.6216	-94.9431, 28.7671	297.5172, 90.5914	-61.7917, -27.4761	in-in	in	8.39	Saltbr-in	2.359	HRD-in	-75.2043, -46.7109	68.7328, 5.3871	in-in-in	SNCiii	in-in	ActLoopNT-in	2.91	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-66.2415, 112.7156	APE9-dihe-in	-128.6613, 140.6859	APE8-dihe-in	-63.5706, 102.9341	APE8-rot-na	334.8103	APE67-dihe-in	-73.5874, -6.1483	-61.8367, -41.5776	APE12-dist-na	11.724	APE11-dist-na	9.79	APE10-dist-na	10.316	APE9-dist-in	6.179	None	None	None	XRAY	2.1	0.182	0.202	A	333	305	4	0	0	0	[[712, 970]]	1.0	9ghr	TYR_EGFR_HUMAN	TYR	1.1e-87	299.7	3	259	257	854	855	856	858	860	745	762	766	834	836	835	837	896	884	879	878	877	876	875	874	873	791	Epidermal growth factor receptor

Ligand: A1ILN

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9GHRA

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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	DFG-Asp_rot_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Asp χ1,χ2	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
TYR	EGFR	EGFR_HUMAN	9GHRA	P00533	697	1020	1210.0	A1ILN:1101	Type1	Active	DFGin	5.811	14.367	BLAminus	DFGAsp-rot-in	-146.4002, -167.2653	58.3044, 80.8868	196.3097, -3.6216	-94.9431, 28.7671	297.5172, 90.5914	-61.7917, -27.4761	in-in	in	8.39	Saltbr-in	2.359	HRD-in	-75.2043, -46.7109	68.7328, 5.3871	in-in-in	SNCiii	in-in	ActLoopNT-in	2.91	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-66.2415, 112.7156	APE9-dihe-in	-128.6613, 140.6859	APE8-dihe-in	-63.5706, 102.9341	APE8-rot-na	334.8103	APE67-dihe-in	-73.5874, -6.1483	-61.8367, -41.5776	APE12-dist-na	11.724	APE11-dist-na	9.79	APE10-dist-na	10.316	APE9-dist-in	6.179	None	None	None	XRAY	2.1	0.182	0.202	A	333	305	4	0	0	0	[[712, 970]]	1.0	9ghr	Homo sapiens	TYR_EGFR_HUMAN	TYR	1.1e-87	299.7	3	259	257	854	855	856	858	860	745	762	766	834	836	835	837	896	884	879	878	877	876	875	874	873	791	Epidermal growth factor receptor

Ligand: A1ILN

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	DFG-Asp_rot_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Asp χ1,χ2	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