KinCore

PDB: 8YP5 — 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%	8YP5A

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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	8YP5A	P45985	80	392	399.0	1FM:501	Type1	Inactive	DFGin	7.5191	13.7596	BLBplus	-152.08, 177.39	57.94, 27.43	-91.01, 160.87	50.54, 97.87	71.82, -120.11	out-na	out	15.6965	Saltbr-na	16.6342	HRD-in	-46.05, -59.08	77.01, 5.2	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.4883	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-63.73, -5.16	APE9-dihe-na	-108.36, -10.27	APE8-dihe-out	-119.29, -38.77	APE8-rot-na	65.49	APE67-dihe-in	-52.63, -18.08	-55.59, -49.23	APE12-dist-out	18.45	APE11-dist-out	19.2496	APE10-dist-out	20.2703	APE9-dist-out	23.3395	None	None	None	XRAY	2.5	0.237	0.326	A	327.0	307.0	6	27	27	0	[[102, 367]]	1.0	8yp5	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: 8YP5 — 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%	8YP5A

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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	8YP5A	P45985	80	392	399.0	1FM:501	Type1	Inactive	DFGin	7.5191	13.7596	BLBplus	-152.08, 177.39	57.94, 27.43	-91.01, 160.87	50.54, 97.87	71.82, -120.11	out-na	out	15.6965	Saltbr-na	16.6342	HRD-in	-46.05, -59.08	77.01, 5.2	na-out-out	SNCaoo	out-out	ActLoopNT-out	8.4883	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-63.73, -5.16	APE9-dihe-na	-108.36, -10.27	APE8-dihe-out	-119.29, -38.77	APE8-rot-na	65.49	APE67-dihe-in	-52.63, -18.08	-55.59, -49.23	APE12-dist-out	18.45	APE11-dist-out	19.2496	APE10-dist-out	20.2703	APE9-dist-out	23.3395	None	None	None	XRAY	2.5	0.237	0.326	A	327.0	307.0	6	27	27	0	[[102, 367]]	1.0	8yp5	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: 8YP5 — 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