KinCore

Ligand: RG4

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	4	100.0%	6VSNA

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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	JAK2-2	JAK2_HUMAN	6VSNA	O60674	840	1132	1132.0	RG4:61201	Type1	Inactive	DFGin	6.387	13.6819	ABAminus	-109.72, -15.97	-143.49, 135.23	-126.22, 34.01	297.74, 73.77	-69.3, -17.68	in-in	in	8.4814	Saltbr-in	2.897	HRD-in	-79.84, -47.55	78.38, -6.15	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8007	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-124.38, 157.36	APE9-dihe-in	-150.13, 136.5	APE8-dihe-in	-88.29, 86.0	APE8-rot-na	31.5	APE67-dihe-in	-79.48, -1.84	-66.44, -27.63	APE12-dist-na	13.2645	APE11-dist-na	9.4543	APE10-dist-na	9.7885	APE9-dist-in	7.4354	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	A	308.0	293.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSNB	O60674	842	1132	1132.0	RG4:61201	Type1	Inactive	DFGin	6.5326	13.6163	ABAminus	-117.93, -12.97	-144.23, 143.5	-132.58, 27.03	294.85, 82.1	-60.37, -24.95	in-in	in	8.4661	Saltbr-in	2.7622	HRD-in	-69.1, -47.38	74.26, -2.29	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7321	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-88.77, 141.32	APE9-dihe-in	-136.93, 114.67	APE8-dihe-in	-78.68, 76.58	APE8-rot-na	34.47	APE67-dihe-in	-78.91, -4.45	-63.01, -29.1	APE12-dist-na	13.466	APE11-dist-na	9.6696	APE10-dist-na	8.6493	APE9-dist-in	6.9273	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	B	308.0	291.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSNC	O60674	843	1131	1132.0	RG4:61201	Type1	Inactive	DFGin	6.0337	13.511	ABAminus	-107.84, -22.28	-138.6, 146.61	-138.13, 17.5	291.81, 81.19	-54.12, -30.2	in-in	in	8.4037	Saltbr-in	2.8114	HRD-in	-72.34, -46.8	72.49, -7.83	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7929	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-68.1, 144.23	APE9-dihe-in	-124.87, 143.11	APE8-dihe-in	-74.05, 69.35	APE8-rot-na	33.67	APE67-dihe-in	-74.69, -6.91	-60.31, -31.34	APE12-dist-na	13.0328	APE11-dist-na	12.5623	APE10-dist-na	12.5908	APE9-dist-in	7.7775	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	C	308.0	289.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSND	O60674	843	1131	1132.0	RG4:61201	Type1	Inactive	DFGin	6.309	13.5629	ABAminus	-113.0, -18.77	-145.19, 142.86	-134.87, 26.72	297.57, 84.55	-62.91, -20.18	in-in	in	8.3926	Saltbr-in	2.5836	HRD-in	-70.27, -45.5	73.77, -2.2	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7949	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-66.43, 138.88	APE9-dihe-in	-113.67, 149.04	APE8-dihe-in	-68.65, 67.63	APE8-rot-na	29.35	APE67-dihe-in	-83.91, -0.02	-57.93, -26.65	APE12-dist-na	13.2139	APE11-dist-na	12.0225	APE10-dist-na	12.863	APE9-dist-in	7.846	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	D	308.0	289.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2

Ligand: RG4

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	4	100.0%	6VSNA

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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	JAK2-2	JAK2_HUMAN	6VSNA	O60674	840	1132	1132.0	RG4:61201	Type1	Inactive	DFGin	6.387	13.6819	ABAminus	-109.72, -15.97	-143.49, 135.23	-126.22, 34.01	297.74, 73.77	-69.3, -17.68	in-in	in	8.4814	Saltbr-in	2.897	HRD-in	-79.84, -47.55	78.38, -6.15	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8007	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-124.38, 157.36	APE9-dihe-in	-150.13, 136.5	APE8-dihe-in	-88.29, 86.0	APE8-rot-na	31.5	APE67-dihe-in	-79.48, -1.84	-66.44, -27.63	APE12-dist-na	13.2645	APE11-dist-na	9.4543	APE10-dist-na	9.7885	APE9-dist-in	7.4354	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	A	308.0	293.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	Homo sapiens	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSNB	O60674	842	1132	1132.0	RG4:61201	Type1	Inactive	DFGin	6.5326	13.6163	ABAminus	-117.93, -12.97	-144.23, 143.5	-132.58, 27.03	294.85, 82.1	-60.37, -24.95	in-in	in	8.4661	Saltbr-in	2.7622	HRD-in	-69.1, -47.38	74.26, -2.29	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7321	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-88.77, 141.32	APE9-dihe-in	-136.93, 114.67	APE8-dihe-in	-78.68, 76.58	APE8-rot-na	34.47	APE67-dihe-in	-78.91, -4.45	-63.01, -29.1	APE12-dist-na	13.466	APE11-dist-na	9.6696	APE10-dist-na	8.6493	APE9-dist-in	6.9273	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	B	308.0	291.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	Homo sapiens	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSNC	O60674	843	1131	1132.0	RG4:61201	Type1	Inactive	DFGin	6.0337	13.511	ABAminus	-107.84, -22.28	-138.6, 146.61	-138.13, 17.5	291.81, 81.19	-54.12, -30.2	in-in	in	8.4037	Saltbr-in	2.8114	HRD-in	-72.34, -46.8	72.49, -7.83	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7929	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-68.1, 144.23	APE9-dihe-in	-124.87, 143.11	APE8-dihe-in	-74.05, 69.35	APE8-rot-na	33.67	APE67-dihe-in	-74.69, -6.91	-60.31, -31.34	APE12-dist-na	13.0328	APE11-dist-na	12.5623	APE10-dist-na	12.5908	APE9-dist-in	7.7775	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	C	308.0	289.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	Homo sapiens	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2
TYR	JAK2-2	JAK2_HUMAN	6VSND	O60674	843	1131	1132.0	RG4:61201	Type1	Inactive	DFGin	6.309	13.5629	ABAminus	-113.0, -18.77	-145.19, 142.86	-134.87, 26.72	297.57, 84.55	-62.91, -20.18	in-in	in	8.3926	Saltbr-in	2.5836	HRD-in	-70.27, -45.5	73.77, -2.2	in-in-in	SNCiii	in-in	ActLoopNT-in	2.7949	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-66.43, 138.88	APE9-dihe-in	-113.67, 149.04	APE8-dihe-in	-68.65, 67.63	APE8-rot-na	29.35	APE67-dihe-in	-83.91, -0.02	-57.93, -26.65	APE12-dist-na	13.2139	APE11-dist-na	12.0225	APE10-dist-na	12.863	APE9-dist-in	7.846	None	PTR1007	PTR1007	XRAY	2.5	0.192	0.252	D	308.0	289.0	0	31	31	0	[[545, 807], [849, 1125]]	2.0	6vsn	Homo sapiens	TYR_JAK2-2_HUMAN	TYR	2.9e-87	298.2	1.0	260.0	260.0	993	994	995	997	999	882	898	902	973	975	974	976.0	1036	1024	1019	1018	1017	1016	1015	1014	1013	930	Tyrosine-protein kinase JAK2

Ligand: RG4

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