KinCore

Ligand: ANK

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
None	None	1	100.0%	3VN9A

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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
STE	MAP2K6	MP2K6_HUMAN	3VN9A	P52564	44	334	334.0	ANK:401	Type1	Inactive	None	12.4842	16.4516	None	-156.07, 167.47	49.05, 65.77	-66.48, -73.12	247.27, 104.01	-116.78, -30.67	out-na	out	18.407	Saltbr-na	19.799	HRD-out	-85.58, 116.13	-89.6, 160.1	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.0413	ActLoopCT-out	nonTYR	APEdihe_aaiao	APEdist_oooo	APE10-dihe-na	-100.99, -122.29	APE9-dihe-na	-158.81, 34.69	APE8-dihe-in	-69.41, 135.75	APE8-rot-na	308.2	APE67-dihe-out	-83.72, 102.27	-50.21, 136.86	APE12-dist-out	19.8565	APE11-dist-out	17.0364	APE10-dist-out	16.6528	APE9-dist-out	16.9042	None	None	None	XRAY	2.6	0.265	0.28	A	340.0	291.0	0	27	27	0	[[53, 314]]	1.0	3vn9	STE_MAP2K6_HUMAN	STE	4.8e-85	291.0	3.0	257.0	255.0	196	197	198	200	202	82	99	103	176	178	177	179.0	239	223	218	217	216	215	214	213	212	130	Dual specificity mitogen-activated protein kinase kinase 6

Ligand: ANK

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
None	None	1	100.0%	3VN9A

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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
STE	MAP2K6	MP2K6_HUMAN	3VN9A	P52564	44	334	334.0	ANK:401	Type1	Inactive	None	12.4842	16.4516	None	-156.07, 167.47	49.05, 65.77	-66.48, -73.12	247.27, 104.01	-116.78, -30.67	out-na	out	18.407	Saltbr-na	19.799	HRD-out	-85.58, 116.13	-89.6, 160.1	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.0413	ActLoopCT-out	nonTYR	APEdihe_aaiao	APEdist_oooo	APE10-dihe-na	-100.99, -122.29	APE9-dihe-na	-158.81, 34.69	APE8-dihe-in	-69.41, 135.75	APE8-rot-na	308.2	APE67-dihe-out	-83.72, 102.27	-50.21, 136.86	APE12-dist-out	19.8565	APE11-dist-out	17.0364	APE10-dist-out	16.6528	APE9-dist-out	16.9042	None	None	None	XRAY	2.6	0.265	0.28	A	340.0	291.0	0	27	27	0	[[53, 314]]	1.0	3vn9	Homo sapiens	STE_MAP2K6_HUMAN	STE	4.8e-85	291.0	3.0	257.0	255.0	196	197	198	200	202	82	99	103	176	178	177	179.0	239	223	218	217	216	215	214	213	212	130	Dual specificity mitogen-activated protein kinase kinase 6

Ligand: ANK

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