KinCore

Ligand: A1LU6

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	8XFMA

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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
CAMK	MKNK2	MKNK2_HUMAN	8XFMA	Q9HBH9	73	372	465.0	A1LU6:401	Type1	Inactive	DFGin	6.5434	14.4239	BLBminus	-141.64, 163.71	80.1, 63.55	-77.34, 168.74	321.53, 116.48	-77.87, 130.1	in-in	in	9.2252	Saltbr-in	2.9197	HRD-in	-71.0, -61.21	78.15, -10.69	in-out-out	SNCioo	out-out	ActLoopNT-out	6.8966	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nnoo	APE10-dihe-na	999.0, -154.37	APE9-dihe-na	-73.11, -20.45	APE8-dihe-out	-69.11, -29.69	APE8-rot-in	292.97	APE67-dihe-in	-59.37, -26.22	-40.2, -50.99	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	27.2133	APE9-dist-out	34.1139	None	None	None	XRAY	2.6	0.193	0.254	A	314.0	276.0	24	35	16	19	[[83, 368]]	1.0	8xfm	CAMK_MKNK2_HUMAN	CAMK	3.6e-78	268.3	1.0	256.0	256.0	225	226	227	229	231	113	129	133	202	204	203	205.0	277	260	255	254	253	252	251	250	249	160	MAP kinase-interacting serine/threonine-protein kinase 2

Ligand: A1LU6

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	8XFMA

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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
CAMK	MKNK2	MKNK2_HUMAN	8XFMA	Q9HBH9	73	372	465.0	A1LU6:401	Type1	Inactive	DFGin	6.5434	14.4239	BLBminus	-141.64, 163.71	80.1, 63.55	-77.34, 168.74	321.53, 116.48	-77.87, 130.1	in-in	in	9.2252	Saltbr-in	2.9197	HRD-in	-71.0, -61.21	78.15, -10.69	in-out-out	SNCioo	out-out	ActLoopNT-out	6.8966	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nnoo	APE10-dihe-na	999.0, -154.37	APE9-dihe-na	-73.11, -20.45	APE8-dihe-out	-69.11, -29.69	APE8-rot-in	292.97	APE67-dihe-in	-59.37, -26.22	-40.2, -50.99	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	27.2133	APE9-dist-out	34.1139	None	None	None	XRAY	2.6	0.193	0.254	A	314.0	276.0	24	35	16	19	[[83, 368]]	1.0	8xfm	Homo sapiens	CAMK_MKNK2_HUMAN	CAMK	3.6e-78	268.3	1.0	256.0	256.0	225	226	227	229	231	113	129	133	202	204	203	205.0	277	260	255	254	253	252	251	250	249	160	MAP kinase-interacting serine/threonine-protein kinase 2

Ligand: A1LU6

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