KinCore

Ligand: 0X6

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	4GIIA

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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	TYK2-2	TYK2_HUMAN	4GIIA	P29597	890	1176	1187.0	0X6:61201	Type1	Inactive	DFGin	6.4923	13.9575	None	-81.38, -98.04	-79.43, 140.5	-122.16, 30.13	291.74, 87.83	-62.78, -33.65	in-in	in	8.2134	Saltbr-in	2.7437	HRD-in	-76.73, -46.7	63.15, 9.59	in-in-out	SNCiio	in-out	ActLoopNT-in	2.974	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-89.05, 4.42	APE9-dihe-in	-63.44, 130.54	APE8-dihe-in	-78.88, 64.67	APE8-rot-na	24.5	APE67-dihe-in	-75.7, -5.4	-49.65, -33.9	APE12-dist-na	9.9046	APE11-dist-na	13.0115	APE10-dist-na	9.594	APE9-dist-in	6.6565	C936A,Q969A,E971A,K972A,D1023N,C1142A	None	None	XRAY	2.31	0.221	0.252	A	302.0	287.0	0	31	31	0	[[589, 868], [897, 1171]]	2.0	4gii	TYR_TYK2-2_HUMAN	TYR	3.6e-81	278.3	2.0	260.0	259.0	1040	1041	1042	1044	1046	930	947	951	1020	1022	1021	1023.0	1083	1071	1066	1065	1064	1063	1062	1061	1060	979	Non-receptor tyrosine-protein kinase TYK2

Ligand: 0X6

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	4GIIA

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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	TYK2-2	TYK2_HUMAN	4GIIA	P29597	890	1176	1187.0	0X6:61201	Type1	Inactive	DFGin	6.4923	13.9575	None	-81.38, -98.04	-79.43, 140.5	-122.16, 30.13	291.74, 87.83	-62.78, -33.65	in-in	in	8.2134	Saltbr-in	2.7437	HRD-in	-76.73, -46.7	63.15, 9.59	in-in-out	SNCiio	in-out	ActLoopNT-in	2.974	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-89.05, 4.42	APE9-dihe-in	-63.44, 130.54	APE8-dihe-in	-78.88, 64.67	APE8-rot-na	24.5	APE67-dihe-in	-75.7, -5.4	-49.65, -33.9	APE12-dist-na	9.9046	APE11-dist-na	13.0115	APE10-dist-na	9.594	APE9-dist-in	6.6565	C936A,Q969A,E971A,K972A,D1023N,C1142A	None	None	XRAY	2.31	0.221	0.252	A	302.0	287.0	0	31	31	0	[[589, 868], [897, 1171]]	2.0	4gii	Homo sapiens	TYR_TYK2-2_HUMAN	TYR	3.6e-81	278.3	2.0	260.0	259.0	1040	1041	1042	1044	1046	930	947	951	1020	1022	1021	1023.0	1083	1071	1066	1065	1064	1063	1062	1061	1060	979	Non-receptor tyrosine-protein kinase TYK2

Ligand: 0X6

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