KinCore

Ligand: IK1

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	2	100.0%	5UT3A

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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	JAK2-1	JAK2_HUMAN	5UT3A	O60674	537	808	1132.0	IK1:901	Type1	Pseudo	DFGin	7.268	13.402	None	-92.6, 177.07	-71.65, 158.85	-79.65, -10.03	26.8, 143.01	73.38, -177.18	in-na	in	9.682	Saltbr-na	999.0	HRD-in	-85.94, -61.54	97.51, -8.49	na-out-out	SNCaoo	out-out	ActLoopNT-out	10.02	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-64.63, -39.44	APE9-dihe-out	-66.05, -19.54	APE8-dihe-out	-89.06, 2.9	APE8-rot-na	290.51	APE67-dihe-out	-104.18, 27.32	-64.34, 136.22	APE12-dist-na	9.99	APE11-dist-na	11.578	APE10-dist-na	16.192	APE9-dist-out	12.996	W659A,W777A,F794H	None	None	XRAY	1.501	0.156	0.17	A	289	272	0	0	0	0	[[545, 807], [849, 1125]]	2.0	5ut3	TYR_JAK2-1_HUMAN	TYR	1.9e-64	223.4	2	260	259	698	699	700	702	704	581	597	601	670	672	671	673	735	722	717	716	715	714	713	712	711	627	Tyrosine-protein kinase JAK2
TYR	TYK2-1	TYK2_HUMAN	3ZONA	P29597	577	870	1187.0	IK1:1871	Type1	Pseudo	DFGin	7.368	12.762	None	-83.03, 173.2	-63.77, 153.55	-76.54, -5.77	26.47, 146.49	67.78, -154.99	in-na	in	9.655	Saltbr-na	999.0	HRD-in	-77.23, -57.87	87.41, -1.46	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.36	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-58.01, -48.69	APE9-dihe-out	-50.14, -31.16	APE8-dihe-out	-81.83, -2.56	APE8-rot-na	292.76	APE67-dihe-out	-91.8, 2.07	-66.27, 133.13	APE12-dist-na	10.153	APE11-dist-na	12.31	APE10-dist-na	16.62	APE9-dist-out	11.977	None	None	None	XRAY	2.15	0.217	0.268	A	335	261	33	0	0	0	[[589, 868], [897, 1171]]	2.0	3zon	TYR_TYK2-1_HUMAN	TYR	6.5e-60	208.7	2	260	259	758	759	760	762	764	642	658	662	731	733	732	734	796	782	777	776	775	774	773	772	771	688	Non-receptor tyrosine-protein kinase TYK2

Ligand: IK1

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	2	100.0%	5UT3A

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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	JAK2-1	JAK2_HUMAN	5UT3A	O60674	537	808	1132.0	IK1:901	Type1	Pseudo	DFGin	7.268	13.402	None	-92.6, 177.07	-71.65, 158.85	-79.65, -10.03	26.8, 143.01	73.38, -177.18	in-na	in	9.682	Saltbr-na	999.0	HRD-in	-85.94, -61.54	97.51, -8.49	na-out-out	SNCaoo	out-out	ActLoopNT-out	10.02	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-64.63, -39.44	APE9-dihe-out	-66.05, -19.54	APE8-dihe-out	-89.06, 2.9	APE8-rot-na	290.51	APE67-dihe-out	-104.18, 27.32	-64.34, 136.22	APE12-dist-na	9.99	APE11-dist-na	11.578	APE10-dist-na	16.192	APE9-dist-out	12.996	W659A,W777A,F794H	None	None	XRAY	1.501	0.156	0.17	A	289	272	0	0	0	0	[[545, 807], [849, 1125]]	2.0	5ut3	Homo sapiens	TYR_JAK2-1_HUMAN	TYR	1.9e-64	223.4	2	260	259	698	699	700	702	704	581	597	601	670	672	671	673	735	722	717	716	715	714	713	712	711	627	Tyrosine-protein kinase JAK2
TYR	TYK2-1	TYK2_HUMAN	3ZONA	P29597	577	870	1187.0	IK1:1871	Type1	Pseudo	DFGin	7.368	12.762	None	-83.03, 173.2	-63.77, 153.55	-76.54, -5.77	26.47, 146.49	67.78, -154.99	in-na	in	9.655	Saltbr-na	999.0	HRD-in	-77.23, -57.87	87.41, -1.46	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.36	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-58.01, -48.69	APE9-dihe-out	-50.14, -31.16	APE8-dihe-out	-81.83, -2.56	APE8-rot-na	292.76	APE67-dihe-out	-91.8, 2.07	-66.27, 133.13	APE12-dist-na	10.153	APE11-dist-na	12.31	APE10-dist-na	16.62	APE9-dist-out	11.977	None	None	None	XRAY	2.15	0.217	0.268	A	335	261	33	0	0	0	[[589, 868], [897, 1171]]	2.0	3zon	Homo sapiens	TYR_TYK2-1_HUMAN	TYR	6.5e-60	208.7	2	260	259	758	759	760	762	764	642	658	662	731	733	732	734	796	782	777	776	775	774	773	772	771	688	Non-receptor tyrosine-protein kinase TYK2

Ligand: IK1

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