KinCore

PDB: 3ALO — STE MP2K4_HUMAN

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%	3ALOA

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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	MAP2K4	MP2K4_HUMAN	3ALOA	P45985	95	389	399.0	ANP:406	ATPlike	Inactive	DFGin	6.8866	13.7295	BLBplus	-112.59, -177.7	66.85, 21.6	-92.73, 167.28	50.76, 92.54	73.18, -126.21	out-na	out	15.8896	Saltbr-na	16.4758	HRD-in	-52.75, -64.74	82.96, 2.2	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.2573	ActLoopCT-out	nonTYR	APEdihe_aaoao	APEdist_oooo	APE10-dihe-na	-57.34, 98.51	APE9-dihe-na	135.89, -16.86	APE8-dihe-out	-126.39, -33.94	APE8-rot-na	70.02	APE67-dihe-out	-48.7, -17.03	-94.49, 137.34	APE12-dist-out	18.4542	APE11-dist-out	19.5165	APE10-dist-out	20.4949	APE9-dist-out	23.0257	None	None	None	XRAY	2.6	0.209	0.271	A	327.0	289.0	6	27	27	0	[[102, 367]]	1.0	3alo	STE_MAP2K4_HUMAN	STE	6.8e-86	293.8	4.0	257.0	254.0	246	247	248	250	252	131	148	152	226	228	227	229.0	289	273	268	267	266	265	264	263	262	179	Dual specificity mitogen-activated protein kinase kinase 4

PDB: 3ALO — STE MP2K4_HUMAN

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%	3ALOA

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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	MAP2K4	MP2K4_HUMAN	3ALOA	P45985	95	389	399.0	ANP:406	ATPlike	Inactive	DFGin	6.8866	13.7295	BLBplus	-112.59, -177.7	66.85, 21.6	-92.73, 167.28	50.76, 92.54	73.18, -126.21	out-na	out	15.8896	Saltbr-na	16.4758	HRD-in	-52.75, -64.74	82.96, 2.2	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.2573	ActLoopCT-out	nonTYR	APEdihe_aaoao	APEdist_oooo	APE10-dihe-na	-57.34, 98.51	APE9-dihe-na	135.89, -16.86	APE8-dihe-out	-126.39, -33.94	APE8-rot-na	70.02	APE67-dihe-out	-48.7, -17.03	-94.49, 137.34	APE12-dist-out	18.4542	APE11-dist-out	19.5165	APE10-dist-out	20.4949	APE9-dist-out	23.0257	None	None	None	XRAY	2.6	0.209	0.271	A	327.0	289.0	6	27	27	0	[[102, 367]]	1.0	3alo	Homo sapiens	STE_MAP2K4_HUMAN	STE	6.8e-86	293.8	4.0	257.0	254.0	246	247	248	250	252	131	148	152	226	228	227	229.0	289	273	268	267	266	265	264	263	262	179	Dual specificity mitogen-activated protein kinase kinase 4

PDB: 3ALO — STE MP2K4_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