KinCore

PDB: 5VDK — OTHER WEE2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	5VDKA

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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
OTHER	WEE2	WEE2_HUMAN	5VDKA	P0C1S8	204	486	567.0	8X7:501	Type1	Inactive	DFGin	6.4749	12.7642	BLAminus	-132.14, -176.96	59.49, 97.22	-108.31, 27.61	318.48, 177.21	-67.75, -13.32	in-in	in	8.8786	Saltbr-in	2.3427	HRD-in	-78.19, -59.39	74.05, 21.2	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0583	ActLoopCT-out	nonTYR	APEdihe_aaiai	APEdist_iooi	APE10-dihe-na	-64.06, 140.87	APE9-dihe-na	-77.49, -156.13	APE8-dihe-in	-55.32, 132.04	APE8-rot-na	187.37	APE67-dihe-in	-66.18, -15.37	-69.73, -32.22	APE12-dist-in	8.3338	APE11-dist-out	5.9297	APE10-dist-out	8.8777	APE9-dist-in	3.4176	None	None	None	XRAY	2.7	0.228	0.284	A	297.0	260.0	23	24	24	0	[[72, 512]]	1.0	5vdk	OTHER_WEE2_HUMAN	NEK	9.3e-28	133.3	4.0	139.0	258.0	379	380	381	383	385	241	259	263	336	338	337	339.0	416	403	398	397	396	395	394	393	392	290	Wee1-like protein kinase 2

PDB: 5VDK — OTHER WEE2_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	5VDKA

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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
OTHER	WEE2	WEE2_HUMAN	5VDKA	P0C1S8	204	486	567.0	8X7:501	Type1	Inactive	DFGin	6.4749	12.7642	BLAminus	-132.14, -176.96	59.49, 97.22	-108.31, 27.61	318.48, 177.21	-67.75, -13.32	in-in	in	8.8786	Saltbr-in	2.3427	HRD-in	-78.19, -59.39	74.05, 21.2	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0583	ActLoopCT-out	nonTYR	APEdihe_aaiai	APEdist_iooi	APE10-dihe-na	-64.06, 140.87	APE9-dihe-na	-77.49, -156.13	APE8-dihe-in	-55.32, 132.04	APE8-rot-na	187.37	APE67-dihe-in	-66.18, -15.37	-69.73, -32.22	APE12-dist-in	8.3338	APE11-dist-out	5.9297	APE10-dist-out	8.8777	APE9-dist-in	3.4176	None	None	None	XRAY	2.7	0.228	0.284	A	297.0	260.0	23	24	24	0	[[72, 512]]	1.0	5vdk	Homo sapiens	OTHER_WEE2_HUMAN	NEK	9.3e-28	133.3	4.0	139.0	258.0	379	380	381	383	385	241	259	263	336	338	337	339.0	416	403	398	397	396	395	394	393	392	290	Wee1-like protein kinase 2

PDB: 5VDK — OTHER WEE2_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