KinCore

PDB: 4LMN — STE MP2K1_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%	4LMNA

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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	MAP2K1	MP2K1_HUMAN	4LMNA	Q02750	62	382	393.0	ANP:60501,EUI:60503	ATPlike,Type3	Inactive	DFGin	6.1087	13.4073	BLBplus	-150.33, -178.45	56.52, 30.25	-84.69, 155.37	45.37, 87.33	-80.58, 74.43	out-out	out	15.5596	Saltbr-out	15.7763	HRD-in	-60.71, -57.05	86.56, -12.8	out-out-out	SNCooo	out-out	ActLoopNT-out	9.0127	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-106.36, -106.55	APE9-dihe-na	-110.69, -4.9	APE8-dihe-out	-94.39, -2.53	APE8-rot-out	38.79	APE67-dihe-out	-120.37, 128.01	-144.86, 111.2	APE12-dist-out	20.4741	APE11-dist-out	19.7321	APE10-dist-out	22.049	APE9-dist-out	15.3113	None	None	None	XRAY	2.8	0.193	0.233	A	341.0	291.0	30	26	26	0	[[68, 361]]	1.0	4lmn	STE_MAP2K1_HUMAN	STE	1.5e-97	331.9	1.0	257.0	257.0	207	208	209	211	213	97	114	118	187	189	188	190.0	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1

PDB: 4LMN — STE MP2K1_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%	4LMNA

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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	MAP2K1	MP2K1_HUMAN	4LMNA	Q02750	62	382	393.0	ANP:60501,EUI:60503	ATPlike,Type3	Inactive	DFGin	6.1087	13.4073	BLBplus	-150.33, -178.45	56.52, 30.25	-84.69, 155.37	45.37, 87.33	-80.58, 74.43	out-out	out	15.5596	Saltbr-out	15.7763	HRD-in	-60.71, -57.05	86.56, -12.8	out-out-out	SNCooo	out-out	ActLoopNT-out	9.0127	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-106.36, -106.55	APE9-dihe-na	-110.69, -4.9	APE8-dihe-out	-94.39, -2.53	APE8-rot-out	38.79	APE67-dihe-out	-120.37, 128.01	-144.86, 111.2	APE12-dist-out	20.4741	APE11-dist-out	19.7321	APE10-dist-out	22.049	APE9-dist-out	15.3113	None	None	None	XRAY	2.8	0.193	0.233	A	341.0	291.0	30	26	26	0	[[68, 361]]	1.0	4lmn	Homo sapiens	STE_MAP2K1_HUMAN	STE	1.5e-97	331.9	1.0	257.0	257.0	207	208	209	211	213	97	114	118	187	189	188	190.0	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1

PDB: 4LMN — STE MP2K1_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