KinCore

Ligand: A1A3C

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	9D8FA

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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	ACVR1	ACVR1_HUMAN	9D8FA	Q04771	193	499	509.0	A1A3C:608	Type1	Inactive	DFGin	7.319	13.378	BLAminus	-128.66, 164.64	72.87, 86.41	-100.74, 20.77	306.08, 179.38	-70.71, -15.71	in-out	in	9.123	Saltbr-out	5.266	HRD-in	-77.6, -50.3	78.68, -1.87	out-in-in	SNCoii	in-in	ActLoopNT-in	2.998	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-95.63, -21.01	APE9-dihe-na	-90.14, -153.44	APE8-dihe-in	-88.84, 122.95	APE8-rot-in	297.07	APE67-dihe-in	-54.58, -31.52	-56.69, -42.93	APE12-dist-in	11.791	APE11-dist-in	12.192	APE10-dist-in	6.259	APE9-dist-in	3.789	None	None	None	XRAY	1.86	0.187	0.223	A	317	307	0	0	0	0	[[207, 497]]	1.0	9d8f	TKL_ACVR1_HUMAN	TKL	2.2e-85	292.3	2	267	266	353	354	355	357	359	235	248	252	333	335	334	336	403	385	380	379	378	377	376	375	374	284	Activin receptor type-1
TKL	ACVR1	ACVR1_HUMAN	9D8FB	Q04771	200	499	509.0	A1A3C:606	Type1	Inactive	DFGin	7.398	13.213	BLAminus	-125.37, 164.88	73.85, 83.9	-100.55, 21.31	302.03, 2.88	-74.3, -19.34	in-out	in	8.893	Saltbr-out	5.062	HRD-in	-75.68, -49.36	71.42, 0.82	out-in-in	SNCoii	in-in	ActLoopNT-in	2.887	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-90.91, 161.07	APE9-dihe-na	99.85, -170.3	APE8-dihe-in	-94.7, 121.59	APE8-rot-in	300.47	APE67-dihe-in	-54.39, -30.52	-51.8, -45.77	APE12-dist-in	11.878	APE11-dist-in	12.499	APE10-dist-in	6.442	APE9-dist-in	3.891	None	None	None	XRAY	1.86	0.187	0.223	B	317	300	0	0	0	0	[[207, 497]]	1.0	9d8f	TKL_ACVR1_HUMAN	TKL	2.2e-85	292.3	2	267	266	353	354	355	357	359	235	248	252	333	335	334	336	403	385	380	379	378	377	376	375	374	284	Activin receptor type-1

Ligand: A1A3C

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	9D8FA

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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	ACVR1	ACVR1_HUMAN	9D8FA	Q04771	193	499	509.0	A1A3C:608	Type1	Inactive	DFGin	7.319	13.378	BLAminus	-128.66, 164.64	72.87, 86.41	-100.74, 20.77	306.08, 179.38	-70.71, -15.71	in-out	in	9.123	Saltbr-out	5.266	HRD-in	-77.6, -50.3	78.68, -1.87	out-in-in	SNCoii	in-in	ActLoopNT-in	2.998	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-95.63, -21.01	APE9-dihe-na	-90.14, -153.44	APE8-dihe-in	-88.84, 122.95	APE8-rot-in	297.07	APE67-dihe-in	-54.58, -31.52	-56.69, -42.93	APE12-dist-in	11.791	APE11-dist-in	12.192	APE10-dist-in	6.259	APE9-dist-in	3.789	None	None	None	XRAY	1.86	0.187	0.223	A	317	307	0	0	0	0	[[207, 497]]	1.0	9d8f	Homo sapiens	TKL_ACVR1_HUMAN	TKL	2.2e-85	292.3	2	267	266	353	354	355	357	359	235	248	252	333	335	334	336	403	385	380	379	378	377	376	375	374	284	Activin receptor type-1
TKL	ACVR1	ACVR1_HUMAN	9D8FB	Q04771	200	499	509.0	A1A3C:606	Type1	Inactive	DFGin	7.398	13.213	BLAminus	-125.37, 164.88	73.85, 83.9	-100.55, 21.31	302.03, 2.88	-74.3, -19.34	in-out	in	8.893	Saltbr-out	5.062	HRD-in	-75.68, -49.36	71.42, 0.82	out-in-in	SNCoii	in-in	ActLoopNT-in	2.887	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-90.91, 161.07	APE9-dihe-na	99.85, -170.3	APE8-dihe-in	-94.7, 121.59	APE8-rot-in	300.47	APE67-dihe-in	-54.39, -30.52	-51.8, -45.77	APE12-dist-in	11.878	APE11-dist-in	12.499	APE10-dist-in	6.442	APE9-dist-in	3.891	None	None	None	XRAY	1.86	0.187	0.223	B	317	300	0	0	0	0	[[207, 497]]	1.0	9d8f	Homo sapiens	TKL_ACVR1_HUMAN	TKL	2.2e-85	292.3	2	267	266	353	354	355	357	359	235	248	252	333	335	334	336	403	385	380	379	378	377	376	375	374	284	Activin receptor type-1

Ligand: A1A3C

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