KinCore

Ligand: 7XO

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBtrans	3	75.0%	5X2AB
DFGin	BLAminus	1	25.0%	5X26A

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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
TYR	EGFR	EGFR_HUMAN	5X26A	P00533	697	1020	1210.0	7XO:1101	Type1	None	DFGin	6.188	14.935	BLAminus	-153.57, -170.14	58.63, 70.59	-94.54, 18.38	292.51, 110.93	-60.72, -39.59	in-in	in	8.548	Saltbr-in	3.317	HRD-in	-64.24, -45.47	69.82, 6.31	in-in-none	SNCiin	in-none	ActLoopNT-in	2.835	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 125.99	APE8-dihe-in	-94.19, 95.15	APE8-rot-na	32.94	APE67-dihe-in	-63.12, -36.92	-65.94, -42.42	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.448	L858R	None	None	XRAY	2.951	0.197	0.222	A	327	302	9	0	0	9	[[712, 970]]	1.0	5x26	TYR_EGFR_HUMAN	TYR	1.1e-86	296.4	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
TYR	EGFR	EGFR_HUMAN	5X2AC	P00533	700	1015	1210.0	7XO:1104	Type1	Inactive	DFGin	5.504	16.539	BLBtrans	-121.56, -177.75	69.47, 12.59	-60.5, 141.21	167.5, 68.5	89.76, -35.23	out-out	out	13.565	Saltbr-out	13.137	HRD-in	-66.9, -48.76	80.92, -13.83	out-out-out	SNCooo	out-out	ActLoopNT-out	7.021	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 137.32	APE8-dihe-in	-80.48, 64.62	APE8-rot-na	38.22	APE67-dihe-in	-72.09, -6.11	-53.33, -40.48	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.214	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	C	331	303	13	0	0	13	[[712, 970]]	1.0	5x2a	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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
TYR	EGFR	EGFR_HUMAN	5X2AB	P00533	700	1022	1210.0	7XO:1105,ANP:1106	Type1,ATPlike	Inactive	DFGin	5.521	16.379	BLBtrans	-118.08, 178.13	68.28, 22.21	-63.57, 132.1	161.37, 67.84	99.95, -15.3	out-out	out	13.892	Saltbr-out	13.505	HRD-in	-67.87, -49.57	81.65, -13.01	out-out-out	SNCooo	out-out	ActLoopNT-out	6.364	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-63.35, -22.61	APE9-dihe-in	-95.03, 108.56	APE8-dihe-in	-83.98, 72.85	APE8-rot-na	21.28	APE67-dihe-in	-71.39, -9.89	-59.75, -39.3	APE12-dist-na	15.726	APE11-dist-na	13.245	APE10-dist-na	9.274	APE9-dist-in	7.568	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	B	331	322	0	0	0	0	[[712, 970]]	1.0	5x2a	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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
TYR	EGFR	EGFR_HUMAN	5X2AA	P00533	700	1011	1210.0	7XO:1107,ANP:1108	Type1,Allosteric	Inactive	DFGin	5.565	16.303	BLBtrans	-120.52, 179.71	70.51, 14.21	-61.87, 136.6	165.52, 70.66	90.66, -18.93	out-out	out	13.778	Saltbr-out	13.104	HRD-in	-79.48, -46.8	73.07, -8.08	out-out-none	SNCoon	out-none	ActLoopNT-out	6.728	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 152.51	APE8-dihe-in	-84.48, 76.35	APE8-rot-na	26.1	APE67-dihe-in	-71.21, -12.48	-60.14, -38.61	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.762	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	A	331	297	13	0	0	13	[[712, 970]]	1.0	5x2a	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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: 7XO

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBtrans	3	75.0%	5X2AB
DFGin	BLAminus	1	25.0%	5X26A

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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
TYR	EGFR	EGFR_HUMAN	5X26A	P00533	697	1020	1210.0	7XO:1101	Type1	None	DFGin	6.188	14.935	BLAminus	-153.57, -170.14	58.63, 70.59	-94.54, 18.38	292.51, 110.93	-60.72, -39.59	in-in	in	8.548	Saltbr-in	3.317	HRD-in	-64.24, -45.47	69.82, 6.31	in-in-none	SNCiin	in-none	ActLoopNT-in	2.835	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 125.99	APE8-dihe-in	-94.19, 95.15	APE8-rot-na	32.94	APE67-dihe-in	-63.12, -36.92	-65.94, -42.42	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.448	L858R	None	None	XRAY	2.951	0.197	0.222	A	327	302	9	0	0	9	[[712, 970]]	1.0	5x26	Homo sapiens	TYR_EGFR_HUMAN	TYR	1.1e-86	296.4	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
TYR	EGFR	EGFR_HUMAN	5X2AC	P00533	700	1015	1210.0	7XO:1104	Type1	Inactive	DFGin	5.504	16.539	BLBtrans	-121.56, -177.75	69.47, 12.59	-60.5, 141.21	167.5, 68.5	89.76, -35.23	out-out	out	13.565	Saltbr-out	13.137	HRD-in	-66.9, -48.76	80.92, -13.83	out-out-out	SNCooo	out-out	ActLoopNT-out	7.021	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 137.32	APE8-dihe-in	-80.48, 64.62	APE8-rot-na	38.22	APE67-dihe-in	-72.09, -6.11	-53.33, -40.48	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.214	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	C	331	303	13	0	0	13	[[712, 970]]	1.0	5x2a	Homo sapiens	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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
TYR	EGFR	EGFR_HUMAN	5X2AB	P00533	700	1022	1210.0	7XO:1105,ANP:1106	Type1,ATPlike	Inactive	DFGin	5.521	16.379	BLBtrans	-118.08, 178.13	68.28, 22.21	-63.57, 132.1	161.37, 67.84	99.95, -15.3	out-out	out	13.892	Saltbr-out	13.505	HRD-in	-67.87, -49.57	81.65, -13.01	out-out-out	SNCooo	out-out	ActLoopNT-out	6.364	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-63.35, -22.61	APE9-dihe-in	-95.03, 108.56	APE8-dihe-in	-83.98, 72.85	APE8-rot-na	21.28	APE67-dihe-in	-71.39, -9.89	-59.75, -39.3	APE12-dist-na	15.726	APE11-dist-na	13.245	APE10-dist-na	9.274	APE9-dist-in	7.568	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	B	331	322	0	0	0	0	[[712, 970]]	1.0	5x2a	Homo sapiens	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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
TYR	EGFR	EGFR_HUMAN	5X2AA	P00533	700	1011	1210.0	7XO:1107,ANP:1108	Type1,Allosteric	Inactive	DFGin	5.565	16.303	BLBtrans	-120.52, 179.71	70.51, 14.21	-61.87, 136.6	165.52, 70.66	90.66, -18.93	out-out	out	13.778	Saltbr-out	13.104	HRD-in	-79.48, -46.8	73.07, -8.08	out-out-none	SNCoon	out-none	ActLoopNT-out	6.728	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 152.51	APE8-dihe-in	-84.48, 76.35	APE8-rot-na	26.1	APE67-dihe-in	-71.21, -12.48	-60.14, -38.61	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.762	T790M,V948R	None	None	XRAY	1.85	0.176	0.219	A	331	297	13	0	0	13	[[712, 970]]	1.0	5x2a	Homo sapiens	TYR_EGFR_HUMAN	TYR	6.3e-88	300.5	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: 7XO

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