KinCore

PDB: 3ZLY — 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%	3ZLYA

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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	3ZLYA	Q02750	40	382	393.0	YSO:1383	Type1	Inactive	DFGin	6.0219	13.9264	BLBplus	-136.5, 174.92	53.79, 50.97	-96.94, 123.0	39.07, 92.61	-57.89, 125.23	out-out	out	15.3139	Saltbr-out	14.8952	HRD-in	-64.76, -55.59	79.69, -12.84	out-out-out	SNCooo	out-out	ActLoopNT-out	10.9518	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, 59.75	APE9-dihe-na	-59.24, 161.77	APE8-dihe-in	-58.7, 148.28	APE8-rot-out	187.92	APE67-dihe-in	-66.68, -11.75	-105.31, 5.02	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	17.0996	APE9-dist-out	9.5312	S298N,S299N,Y300K	None	None	XRAY	2.11	0.201	0.248	A	348.0	310.0	33	26	23	3	[[68, 361]]	1.0	3zly	STE_MAP2K1_HUMAN	STE	1.6e-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: 3ZLY — 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%	3ZLYA

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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	3ZLYA	Q02750	40	382	393.0	YSO:1383	Type1	Inactive	DFGin	6.0219	13.9264	BLBplus	-136.5, 174.92	53.79, 50.97	-96.94, 123.0	39.07, 92.61	-57.89, 125.23	out-out	out	15.3139	Saltbr-out	14.8952	HRD-in	-64.76, -55.59	79.69, -12.84	out-out-out	SNCooo	out-out	ActLoopNT-out	10.9518	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, 59.75	APE9-dihe-na	-59.24, 161.77	APE8-dihe-in	-58.7, 148.28	APE8-rot-out	187.92	APE67-dihe-in	-66.68, -11.75	-105.31, 5.02	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	17.0996	APE9-dist-out	9.5312	S298N,S299N,Y300K	None	None	XRAY	2.11	0.201	0.248	A	348.0	310.0	33	26	23	3	[[68, 361]]	1.0	3zly	Homo sapiens	STE_MAP2K1_HUMAN	STE	1.6e-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: 3ZLY — 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