KinCore

Ligand: A1BW6

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%	9ND3A

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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	9ND3A	O60674	536	808	1132.0	A1BW6:901	Type1	Pseudo	DFGin	5.9957	13.1158	None	-64.1, 173.67	-70.95, 163.72	-78.01, -24.74	341.83, 32.74	77.82, -165.18	out-na	out	11.374	Saltbr-na	999.0	HRD-in	-84.19, -60.63	89.29, -1.33	na-out-out	SNCaoo	out-out	ActLoopNT-out	9.1954	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-69.37, -39.11	APE9-dihe-out	-58.8, -29.7	APE8-dihe-out	-87.32, 4.81	APE8-rot-na	289.91	APE67-dihe-out	-104.68, 28.28	-65.86, 133.14	APE12-dist-na	9.6569	APE11-dist-na	11.4611	APE10-dist-na	16.0024	APE9-dist-out	12.276	None	None	None	XRAY	1.62	0.189	0.22	A	283.0	273.0	0	24	24	0	[[545, 807], [849, 1125]]	2.0	9nd3	TYR_JAK2-1_HUMAN	TYR	2.9e-64	222.8	2.0	260.0	259.0	698	699	700	702	704	581	597	601	670	672	671	673.0	735	722	717	716	715	714	713	712	711	627	Tyrosine-protein kinase JAK2

Ligand: A1BW6

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%	9ND3A

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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	9ND3A	O60674	536	808	1132.0	A1BW6:901	Type1	Pseudo	DFGin	5.9957	13.1158	None	-64.1, 173.67	-70.95, 163.72	-78.01, -24.74	341.83, 32.74	77.82, -165.18	out-na	out	11.374	Saltbr-na	999.0	HRD-in	-84.19, -60.63	89.29, -1.33	na-out-out	SNCaoo	out-out	ActLoopNT-out	9.1954	ActLoopCT-out	TYR	APEdihe_oooao	APEdist_aaao	APE10-dihe-out	-69.37, -39.11	APE9-dihe-out	-58.8, -29.7	APE8-dihe-out	-87.32, 4.81	APE8-rot-na	289.91	APE67-dihe-out	-104.68, 28.28	-65.86, 133.14	APE12-dist-na	9.6569	APE11-dist-na	11.4611	APE10-dist-na	16.0024	APE9-dist-out	12.276	None	None	None	XRAY	1.62	0.189	0.22	A	283.0	273.0	0	24	24	0	[[545, 807], [849, 1125]]	2.0	9nd3	Homo sapiens	TYR_JAK2-1_HUMAN	TYR	2.9e-64	222.8	2.0	260.0	259.0	698	699	700	702	704	581	597	601	670	672	671	673.0	735	722	717	716	715	714	713	712	711	627	Tyrosine-protein kinase JAK2

Ligand: A1BW6

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