KinCore

Ligand: 1BR

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	1	100.0%	4I4FA

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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	4I4FA	Q05397	415	686	1052.0	1BR:702	Type3	Inactive	DFGout	13.6738	8.1778	None	-137.25, -178.53	-131.85, 30.21	-146.33, 163.88	55.94, 90.52	-101.82, 157.06	out-out	out	10.6177	Saltbr-out	6.1915	HRD-out	-98.84, 110.46	-92.47, -29.67	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_niiai	APEdist_aaao	APE10-dihe-none	999.0, 158.93	APE9-dihe-in	-71.56, 140.23	APE8-dihe-in	-82.88, 69.99	APE8-rot-na	31.14	APE67-dihe-in	-67.42, -12.73	-49.69, -43.58	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	18.6139	APE9-dist-out	8.7775	None	None	None	XRAY	1.75	0.188	0.228	A	281.0	255.0	17	29	15	14	[[422, 678]]	1.0	4i4f	TYR_PTK2_HUMAN	TYR	3.5e-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

Ligand: 1BR

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	1	100.0%	4I4FA

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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	4I4FA	Q05397	415	686	1052.0	1BR:702	Type3	Inactive	DFGout	13.6738	8.1778	None	-137.25, -178.53	-131.85, 30.21	-146.33, 163.88	55.94, 90.52	-101.82, 157.06	out-out	out	10.6177	Saltbr-out	6.1915	HRD-out	-98.84, 110.46	-92.47, -29.67	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_niiai	APEdist_aaao	APE10-dihe-none	999.0, 158.93	APE9-dihe-in	-71.56, 140.23	APE8-dihe-in	-82.88, 69.99	APE8-rot-na	31.14	APE67-dihe-in	-67.42, -12.73	-49.69, -43.58	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	18.6139	APE9-dist-out	8.7775	None	None	None	XRAY	1.75	0.188	0.228	A	281.0	255.0	17	29	15	14	[[422, 678]]	1.0	4i4f	Homo sapiens	TYR_PTK2_HUMAN	TYR	3.5e-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

Ligand: 1BR

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