KinCore

Ligand: A1L30

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9J9DA

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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
TKL	TGFBR1	TGFR1_HUMAN	9J9DA	P36897	202	502	503.0	A1L30:701	Type1	None	DFGin	5.9671	12.4549	BLAminus	-128.65, -173.5	51.95, 67.83	-91.44, 10.62	307.73, 2.77	-64.11, -26.42	in-in	in	8.0195	Saltbr-in	2.8069	HRD-in	-76.64, -51.57	79.18, -0.61	in-in-none	SNCiin	in-none	ActLoopNT-in	2.9198	ActLoopCT-none	nonTYR	APEdihe_aaiii	APEdist_niii	APE10-dihe-na	-92.35, -34.47	APE9-dihe-na	-89.02, -159.15	APE8-dihe-in	-77.18, 122.97	APE8-rot-in	307.18	APE67-dihe-in	-57.12, -34.57	-60.97, -41.48	APE12-dist-none	999.0	APE11-dist-in	12.1448	APE10-dist-in	6.1626	APE9-dist-in	4.0669	None	None	None	XRAY	1.337	0.191	0.209	A	306.0	296.0	5	32	30	2	[[205, 494]]	1.0	9j9d	TKL_TGFBR1_HUMAN	TKL	3.3e-85	291.7	3.0	266.0	264.0	350	351	352	354	356	232	245	249	330	332	331	333.0	400	382	377	376	375	374	373	372	371	281	TGF-beta receptor type-1

Ligand: A1L30

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9J9DA

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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
TKL	TGFBR1	TGFR1_HUMAN	9J9DA	P36897	202	502	503.0	A1L30:701	Type1	None	DFGin	5.9671	12.4549	BLAminus	-128.65, -173.5	51.95, 67.83	-91.44, 10.62	307.73, 2.77	-64.11, -26.42	in-in	in	8.0195	Saltbr-in	2.8069	HRD-in	-76.64, -51.57	79.18, -0.61	in-in-none	SNCiin	in-none	ActLoopNT-in	2.9198	ActLoopCT-none	nonTYR	APEdihe_aaiii	APEdist_niii	APE10-dihe-na	-92.35, -34.47	APE9-dihe-na	-89.02, -159.15	APE8-dihe-in	-77.18, 122.97	APE8-rot-in	307.18	APE67-dihe-in	-57.12, -34.57	-60.97, -41.48	APE12-dist-none	999.0	APE11-dist-in	12.1448	APE10-dist-in	6.1626	APE9-dist-in	4.0669	None	None	None	XRAY	1.337	0.191	0.209	A	306.0	296.0	5	32	30	2	[[205, 494]]	1.0	9j9d	Homo sapiens	TKL_TGFBR1_HUMAN	TKL	3.3e-85	291.7	3.0	266.0	264.0	350	351	352	354	356	232	245	249	330	332	331	333.0	400	382	377	376	375	374	373	372	371	281	TGF-beta receptor type-1

Ligand: A1L30

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