KinCore

Ligand: A1IWO

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	9HRCA

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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	9HRCA	Q9HBH9	72	375	465.0	A1IWO:60403	Type1	Inactive	DFGin	4.8675	13.3468	BLBplus	-154.96, -179.97	42.22, 54.03	-101.3, 153.38	52.79, 80.06	62.52, 47.61	in-in	in	9.3096	Saltbr-in	2.9174	HRD-in	-76.24, -61.12	74.46, 6.01	in-out-out	SNCioo	out-out	ActLoopNT-out	7.6786	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	70.21, 173.07	APE9-dihe-na	68.52, -73.43	APE8-dihe-out	-79.52, -4.64	APE8-rot-in	300.02	APE67-dihe-in	-62.63, -31.13	-55.09, -47.82	APE12-dist-out	25.8911	APE11-dist-out	28.6428	APE10-dist-out	32.77	APE9-dist-out	34.691	D228G	None	None	XRAY	3.161	0.186	0.243	A	316.0	282.0	22	35	19	16	[[83, 368]]	1.0	9hrc	CAMK_MKNK2_HUMAN	CAMK	8e-79	270.5	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: A1IWO

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	9HRCA

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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	9HRCA	Q9HBH9	72	375	465.0	A1IWO:60403	Type1	Inactive	DFGin	4.8675	13.3468	BLBplus	-154.96, -179.97	42.22, 54.03	-101.3, 153.38	52.79, 80.06	62.52, 47.61	in-in	in	9.3096	Saltbr-in	2.9174	HRD-in	-76.24, -61.12	74.46, 6.01	in-out-out	SNCioo	out-out	ActLoopNT-out	7.6786	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	70.21, 173.07	APE9-dihe-na	68.52, -73.43	APE8-dihe-out	-79.52, -4.64	APE8-rot-in	300.02	APE67-dihe-in	-62.63, -31.13	-55.09, -47.82	APE12-dist-out	25.8911	APE11-dist-out	28.6428	APE10-dist-out	32.77	APE9-dist-out	34.691	D228G	None	None	XRAY	3.161	0.186	0.243	A	316.0	282.0	22	35	19	16	[[83, 368]]	1.0	9hrc	Homo sapiens	CAMK_MKNK2_HUMAN	CAMK	8e-79	270.5	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: A1IWO

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