KinCore

Ligand: P1E

Total number of chains: 5

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	2	40.0%	6YVYD
DFGin	ABAminus	1	20.0%	6YVYA
DFGin	BLAminus	1	20.0%	6YVYB
None	None	1	20.0%	3H3CA

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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	PTK2	FAK1_HUMAN	6YVYA	Q05397	412	686	1052.0	P1E:701	Type1	Inactive	DFGin	6.9228	16.0582	ABAminus	-123.33, 0.59	-123.32, 123.05	-122.83, 25.97	286.06, 70.66	-56.13, -41.38	in-out	in	8.8676	Saltbr-out	4.1655	HRD-in	-73.46, -49.62	72.4, 1.81	out-in-in	SNCoii	in-in	ActLoopNT-in	2.901	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-63.5, 136.03	APE9-dihe-in	-79.34, 137.37	APE8-dihe-in	-82.93, 65.49	APE8-rot-na	31.34	APE67-dihe-in	-64.99, -13.14	-47.78, -44.49	APE12-dist-na	999.0	APE11-dist-na	9.4194	APE10-dist-na	11.9719	APE9-dist-in	7.6121	None	None	None	XRAY	1.918	0.215	0.235	A	282.0	265.0	10	29	19	10	[[422, 678]]	1.0	6yvy	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYB	Q05397	415	686	1052.0	P1E:701	Type1	Inactive	DFGin	6.7597	16.1535	BLAminus	-125.37, -159.56	46.15, 75.22	-98.8, 22.63	289.45, 61.98	-103.7, -1.46	in-in	in	8.0824	Saltbr-in	2.8838	HRD-in	-68.13, -50.71	78.23, -5.43	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 141.05	APE8-dihe-in	-81.82, 62.53	APE8-rot-na	30.96	APE67-dihe-in	-65.78, -13.58	-48.49, -45.83	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.2796	None	None	None	XRAY	1.918	0.215	0.235	B	282.0	257.0	15	29	14	15	[[422, 678]]	1.0	6yvy	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYC	Q05397	411	686	1052.0	P1E:802	Type1	Inactive	DFGin	6.9905	16.3619	None	-69.66, 178.7	-62.98, 133.91	-77.95, 999.0	300.74, 174.12	999.0, 999.0	in-in	in	7.5264	Saltbr-in	2.7334	HRD-in	-68.55, -50.55	78.07, -8.24	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 138.77	APE8-dihe-in	-81.84, 60.78	APE8-rot-na	33.33	APE67-dihe-in	-67.16, -11.03	-46.06, -44.71	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.1877	None	None	None	XRAY	1.918	0.215	0.235	C	282.0	258.0	18	29	11	18	[[422, 678]]	1.0	6yvy	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYD	Q05397	415	686	1052.0	P1E:701	Type1	Inactive	DFGin	7.055	14.8699	None	-121.81, -169.66	55.51, 105.08	-131.24, 999.0	291.45, 85.32	999.0, 999.0	in-out	in	7.9916	Saltbr-out	4.5329	HRD-in	-68.69, -50.74	77.4, -7.55	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_niiai	APEdist_aaao	APE10-dihe-none	999.0, 145.59	APE9-dihe-in	-72.33, 140.74	APE8-dihe-in	-81.37, 62.58	APE8-rot-na	30.99	APE67-dihe-in	-64.82, -12.74	-48.02, -45.17	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.3029	None	None	None	XRAY	1.918	0.215	0.235	D	282.0	255.0	17	29	12	17	[[422, 678]]	1.0	6yvy	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2B	FAK2_HUMAN	3H3CA	Q14289	416	692	1009.0	P1E:999	Type1	Inactive	None	14.5399	14.3031	None	-72.29, 173.5	-83.79, -75.33	-27.66, 138.67	168.27, 88.28	84.71, 2.13	in-out	in	9.2748	Saltbr-out	4.0671	HRD-out	-102.14, 121.26	-94.56, 14.11	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	25.0, 70.6	APE9-dihe-in	-85.64, 154.22	APE8-dihe-in	-82.06, 67.49	APE8-rot-na	30.84	APE67-dihe-in	-69.88, -12.73	-41.52, -48.14	APE12-dist-na	999.0	APE11-dist-na	16.7821	APE10-dist-na	16.0004	APE9-dist-in	7.6667	None	None	None	XRAY	2.0	0.225	0.273	A	277.0	263.0	14	29	15	14	[[425, 681]]	1.0	3h3c	TYR_PTK2B_HUMAN	TYR	2.4e-92	314.8	2.0	260.0	259.0	566	567	568	570	572	457	474	478	546	548	547	549.0	607	595	590	589	588	587	586	585	584	503	Protein-tyrosine kinase 2-beta

Ligand: P1E

Total number of chains: 5

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	2	40.0%	6YVYD
DFGin	ABAminus	1	20.0%	6YVYA
DFGin	BLAminus	1	20.0%	6YVYB
None	None	1	20.0%	3H3CA

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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	PTK2	FAK1_HUMAN	6YVYA	Q05397	412	686	1052.0	P1E:701	Type1	Inactive	DFGin	6.9228	16.0582	ABAminus	-123.33, 0.59	-123.32, 123.05	-122.83, 25.97	286.06, 70.66	-56.13, -41.38	in-out	in	8.8676	Saltbr-out	4.1655	HRD-in	-73.46, -49.62	72.4, 1.81	out-in-in	SNCoii	in-in	ActLoopNT-in	2.901	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-63.5, 136.03	APE9-dihe-in	-79.34, 137.37	APE8-dihe-in	-82.93, 65.49	APE8-rot-na	31.34	APE67-dihe-in	-64.99, -13.14	-47.78, -44.49	APE12-dist-na	999.0	APE11-dist-na	9.4194	APE10-dist-na	11.9719	APE9-dist-in	7.6121	None	None	None	XRAY	1.918	0.215	0.235	A	282.0	265.0	10	29	19	10	[[422, 678]]	1.0	6yvy	Homo sapiens	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYB	Q05397	415	686	1052.0	P1E:701	Type1	Inactive	DFGin	6.7597	16.1535	BLAminus	-125.37, -159.56	46.15, 75.22	-98.8, 22.63	289.45, 61.98	-103.7, -1.46	in-in	in	8.0824	Saltbr-in	2.8838	HRD-in	-68.13, -50.71	78.23, -5.43	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 141.05	APE8-dihe-in	-81.82, 62.53	APE8-rot-na	30.96	APE67-dihe-in	-65.78, -13.58	-48.49, -45.83	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.2796	None	None	None	XRAY	1.918	0.215	0.235	B	282.0	257.0	15	29	14	15	[[422, 678]]	1.0	6yvy	Homo sapiens	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYC	Q05397	411	686	1052.0	P1E:802	Type1	Inactive	DFGin	6.9905	16.3619	None	-69.66, 178.7	-62.98, 133.91	-77.95, 999.0	300.74, 174.12	999.0, 999.0	in-in	in	7.5264	Saltbr-in	2.7334	HRD-in	-68.55, -50.55	78.07, -8.24	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_nniai	APEdist_aaao	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 138.77	APE8-dihe-in	-81.84, 60.78	APE8-rot-na	33.33	APE67-dihe-in	-67.16, -11.03	-46.06, -44.71	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.1877	None	None	None	XRAY	1.918	0.215	0.235	C	282.0	258.0	18	29	11	18	[[422, 678]]	1.0	6yvy	Homo sapiens	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2	FAK1_HUMAN	6YVYD	Q05397	415	686	1052.0	P1E:701	Type1	Inactive	DFGin	7.055	14.8699	None	-121.81, -169.66	55.51, 105.08	-131.24, 999.0	291.45, 85.32	999.0, 999.0	in-out	in	7.9916	Saltbr-out	4.5329	HRD-in	-68.69, -50.74	77.4, -7.55	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_niiai	APEdist_aaao	APE10-dihe-none	999.0, 145.59	APE9-dihe-in	-72.33, 140.74	APE8-dihe-in	-81.37, 62.58	APE8-rot-na	30.99	APE67-dihe-in	-64.82, -12.74	-48.02, -45.17	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-out	8.3029	None	None	None	XRAY	1.918	0.215	0.235	D	282.0	255.0	17	29	12	17	[[422, 678]]	1.0	6yvy	Homo sapiens	TYR_PTK2_HUMAN	TYR	3.6e-93	317.6	1.0	260.0	260.0	563	564	565	567	569	454	471	475	543	545	544	546.0	604	592	587	586	585	584	583	582	581	500	Focal adhesion kinase 1
TYR	PTK2B	FAK2_HUMAN	3H3CA	Q14289	416	692	1009.0	P1E:999	Type1	Inactive	None	14.5399	14.3031	None	-72.29, 173.5	-83.79, -75.33	-27.66, 138.67	168.27, 88.28	84.71, 2.13	in-out	in	9.2748	Saltbr-out	4.0671	HRD-out	-102.14, 121.26	-94.56, 14.11	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	25.0, 70.6	APE9-dihe-in	-85.64, 154.22	APE8-dihe-in	-82.06, 67.49	APE8-rot-na	30.84	APE67-dihe-in	-69.88, -12.73	-41.52, -48.14	APE12-dist-na	999.0	APE11-dist-na	16.7821	APE10-dist-na	16.0004	APE9-dist-in	7.6667	None	None	None	XRAY	2.0	0.225	0.273	A	277.0	263.0	14	29	15	14	[[425, 681]]	1.0	3h3c	Homo sapiens	TYR_PTK2B_HUMAN	TYR	2.4e-92	314.8	2.0	260.0	259.0	566	567	568	570	572	457	474	478	546	548	547	549.0	607	595	590	589	588	587	586	585	584	503	Protein-tyrosine kinase 2-beta

Ligand: P1E

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