KinCore

PDB: 6BBU — TYR JAK1_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%	6BBUA

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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	JAK1-2	JAK1_HUMAN	6BBUA	P23458	867	1154	1154.0	D7D:4000	Type1	Inactive	DFGin	6.4193	13.3	ABAminus	-116.63, 12.94	-152.79, 140.28	-132.74, 24.58	296.65, 83.13	-57.55, -25.0	in-in	in	7.6445	Saltbr-in	2.7807	HRD-in	-73.12, -50.44	71.69, 3.72	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8608	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-135.84, 101.53	APE9-dihe-in	-119.31, 160.09	APE8-dihe-in	-78.32, 76.15	APE8-rot-na	30.95	APE67-dihe-in	-74.07, -7.36	-55.8, -32.39	APE12-dist-na	9.7484	APE11-dist-na	11.1833	APE10-dist-na	11.2989	APE9-dist-in	6.2631	None	PTR1034,PTR1035	PTR1034,PTR1035	XRAY	2.08	0.185	0.213	A	316.0	281.0	7	31	31	0	[[583, 847], [875, 1151]]	2.0	6bbu	TYR_JAK1-2_HUMAN	TYR	2.6e-87	298.4	2.0	259.0	258.0	1020	1021	1022	1024	1026	908	925	929	1000	1002	1001	1003.0	1063	1051	1046	1045	1044	1043	1042	1041	1040	957	Tyrosine-protein kinase JAK1

PDB: 6BBU — TYR JAK1_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%	6BBUA

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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	JAK1-2	JAK1_HUMAN	6BBUA	P23458	867	1154	1154.0	D7D:4000	Type1	Inactive	DFGin	6.4193	13.3	ABAminus	-116.63, 12.94	-152.79, 140.28	-132.74, 24.58	296.65, 83.13	-57.55, -25.0	in-in	in	7.6445	Saltbr-in	2.7807	HRD-in	-73.12, -50.44	71.69, 3.72	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8608	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-135.84, 101.53	APE9-dihe-in	-119.31, 160.09	APE8-dihe-in	-78.32, 76.15	APE8-rot-na	30.95	APE67-dihe-in	-74.07, -7.36	-55.8, -32.39	APE12-dist-na	9.7484	APE11-dist-na	11.1833	APE10-dist-na	11.2989	APE9-dist-in	6.2631	None	PTR1034,PTR1035	PTR1034,PTR1035	XRAY	2.08	0.185	0.213	A	316.0	281.0	7	31	31	0	[[583, 847], [875, 1151]]	2.0	6bbu	Homo sapiens	TYR_JAK1-2_HUMAN	TYR	2.6e-87	298.4	2.0	259.0	258.0	1020	1021	1022	1024	1026	908	925	929	1000	1002	1001	1003.0	1063	1051	1046	1045	1044	1043	1042	1041	1040	957	Tyrosine-protein kinase JAK1

PDB: 6BBU — TYR JAK1_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