KinCore

PDB: 5WAL — TYR TYK2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	1	100.0%	5WALA

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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	5WALA	P29597	890	1176	1187.0	9ZS:61201	Type1	Inactive	DFGin	7.181	13.6984	ABAminus	-97.25, -15.9	-129.26, 145.58	-139.57, 26.94	290.86, 91.28	-60.49, -34.49	in-in	in	8.1858	Saltbr-in	2.7952	HRD-in	-78.43, -50.76	68.0, 1.52	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8064	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-102.25, 6.21	APE9-dihe-in	-66.75, 134.63	APE8-dihe-in	-82.22, 67.92	APE8-rot-na	22.08	APE67-dihe-in	-76.18, -11.03	-54.12, -29.65	APE12-dist-na	9.8359	APE11-dist-na	12.9188	APE10-dist-na	9.4664	APE9-dist-in	6.6126	C936A,Q969A,E971A,K972A,D1023N,C1142A	None	None	XRAY	2.45	0.185	0.243	A	302.0	285.0	2	31	29	2	[[589, 868], [897, 1171]]	2.0	5wal	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

PDB: 5WAL — TYR TYK2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	1	100.0%	5WALA

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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	5WALA	P29597	890	1176	1187.0	9ZS:61201	Type1	Inactive	DFGin	7.181	13.6984	ABAminus	-97.25, -15.9	-129.26, 145.58	-139.57, 26.94	290.86, 91.28	-60.49, -34.49	in-in	in	8.1858	Saltbr-in	2.7952	HRD-in	-78.43, -50.76	68.0, 1.52	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8064	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-102.25, 6.21	APE9-dihe-in	-66.75, 134.63	APE8-dihe-in	-82.22, 67.92	APE8-rot-na	22.08	APE67-dihe-in	-76.18, -11.03	-54.12, -29.65	APE12-dist-na	9.8359	APE11-dist-na	12.9188	APE10-dist-na	9.4664	APE9-dist-in	6.6126	C936A,Q969A,E971A,K972A,D1023N,C1142A	None	None	XRAY	2.45	0.185	0.243	A	302.0	285.0	2	31	29	2	[[589, 868], [897, 1171]]	2.0	5wal	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

PDB: 5WAL — TYR TYK2_HUMAN

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