KinCore

Ligand: HVB

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	6QAHA

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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
CMGC	MAPK1	MK01_HUMAN	6QAHA	P28482	11	357	360.0	HVB:402,HVB:403	Allosteric,Allosteric	Inactive	DFGin	6.758	16.168	BLAminus	-136.73, 179.29	62.82, 76.94	-93.86, 22.86	290.05, 77.22	-60.46, -27.45	in-out	in	9.988	Saltbr-out	4.096	HRD-in	-76.02, -51.2	74.22, -0.2	out-in-out	SNCoio	in-out	ActLoopNT-in	2.792	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-88.29, -39.06	APE9-dihe-na	-75.24, 163.73	APE8-dihe-in	-59.27, 129.3	APE8-rot-in	308.42	APE67-dihe-in	-64.98, -18.58	-56.47, -46.56	APE12-dist-out	14.087	APE11-dist-in	10.975	APE10-dist-in	6.655	APE9-dist-in	4.407	None	None	CME161	XRAY	1.58	0.182	0.212	A	368	340	1	0	0	0	[[25, 313]]	1.0	6qah	CMGC_MAPK1_HUMAN	CMGC	9.9e-86	293.6	1	301	301	166	167	168	170	172	54	71	75	146	148	147	149	210	197	192	191	190	189	188	187	186	106	Mitogen-activated protein kinase 1
TKL	ACVR1	ACVR1_HUMAN	5S7HA	Q04771	201	499	509.0	LU8:501,LU8:507,LU8:508,HVB:509,HVB:510	Type1,Allosteric,Allosteric,Allosteric,Allosteric	Inactive	DFGin	8.4	13.349	BLAminus	-122.03, 161.2	75.68, 88.77	-99.68, 25.56	301.4, 178.71	-69.41, -15.19	in-out	in	9.284	Saltbr-out	6.112	HRD-in	-74.82, -53.78	79.5, -0.11	out-in-out	SNCoio	in-out	ActLoopNT-in	2.955	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nooi	APE10-dihe-na	-124.66, 158.62	APE9-dihe-na	-71.55, -178.8	APE8-dihe-in	-67.44, 125.65	APE8-rot-in	300.35	APE67-dihe-in	-57.2, -30.23	-61.33, -40.16	APE12-dist-none	999.0	APE11-dist-out	6.417	APE10-dist-out	9.333	APE9-dist-in	3.616	Q207D	None	None	XRAY	1.3	0.158	0.18	A	301	284	15	0	0	12	[[207, 497]]	1.0	5s7h	TKL_ACVR1_HUMAN	TKL	1.9e-85	292.5	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: HVB

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	6QAHA

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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
CMGC	MAPK1	MK01_HUMAN	6QAHA	P28482	11	357	360.0	HVB:402,HVB:403	Allosteric,Allosteric	Inactive	DFGin	6.758	16.168	BLAminus	-136.73, 179.29	62.82, 76.94	-93.86, 22.86	290.05, 77.22	-60.46, -27.45	in-out	in	9.988	Saltbr-out	4.096	HRD-in	-76.02, -51.2	74.22, -0.2	out-in-out	SNCoio	in-out	ActLoopNT-in	2.792	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-88.29, -39.06	APE9-dihe-na	-75.24, 163.73	APE8-dihe-in	-59.27, 129.3	APE8-rot-in	308.42	APE67-dihe-in	-64.98, -18.58	-56.47, -46.56	APE12-dist-out	14.087	APE11-dist-in	10.975	APE10-dist-in	6.655	APE9-dist-in	4.407	None	None	CME161	XRAY	1.58	0.182	0.212	A	368	340	1	0	0	0	[[25, 313]]	1.0	6qah	Homo sapiens	CMGC_MAPK1_HUMAN	CMGC	9.9e-86	293.6	1	301	301	166	167	168	170	172	54	71	75	146	148	147	149	210	197	192	191	190	189	188	187	186	106	Mitogen-activated protein kinase 1
TKL	ACVR1	ACVR1_HUMAN	5S7HA	Q04771	201	499	509.0	LU8:501,LU8:507,LU8:508,HVB:509,HVB:510	Type1,Allosteric,Allosteric,Allosteric,Allosteric	Inactive	DFGin	8.4	13.349	BLAminus	-122.03, 161.2	75.68, 88.77	-99.68, 25.56	301.4, 178.71	-69.41, -15.19	in-out	in	9.284	Saltbr-out	6.112	HRD-in	-74.82, -53.78	79.5, -0.11	out-in-out	SNCoio	in-out	ActLoopNT-in	2.955	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nooi	APE10-dihe-na	-124.66, 158.62	APE9-dihe-na	-71.55, -178.8	APE8-dihe-in	-67.44, 125.65	APE8-rot-in	300.35	APE67-dihe-in	-57.2, -30.23	-61.33, -40.16	APE12-dist-none	999.0	APE11-dist-out	6.417	APE10-dist-out	9.333	APE9-dist-in	3.616	Q207D	None	None	XRAY	1.3	0.158	0.18	A	301	284	15	0	0	12	[[207, 497]]	1.0	5s7h	Homo sapiens	TKL_ACVR1_HUMAN	TKL	1.9e-85	292.5	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: HVB

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