KinCore

Ligand: PXN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	4MWIA

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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	MLKL	MLKL_HUMAN	4MWIA	Q8NB16	193	470	471.0	PXN:501	Allosteric	Pseudo	DFGin	5.1005	14.0265	BLBminus	-145.19, 176.51	81.47, 24.62	-54.37, 137.54	316.54, 101.19	-155.24, 156.88	in-in	in	8.284	Saltbr-in	2.7854	HRD-naE	-64.85, -47.54	108.98, -24.83	in-out-out	SNCioo	out-out	ActLoopNT-out	9.8484	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-117.89, 131.59	APE9-dihe-na	-66.57, 138.55	APE8-dihe-out	-59.77, -32.75	APE8-rot-in	293.62	APE67-dihe-in	-64.78, -27.84	-54.61, -33.19	APE12-dist-out	18.7088	APE11-dist-out	22.4285	APE10-dist-out	19.5594	APE9-dist-out	13.893	None	None	None	XRAY	1.7	0.166	0.194	A	294.0	266.0	12	32	20	12	[[204, 468]]	1.0	4mwi	OTHER_MLKL_HUMAN	TKL	1.3e-50	178.3	7.0	266.0	260.0	348	349	350	352	354	230	250	254	328	330	329	331.0	394	380	375	374	373	372	371	370	369	284	Mixed lineage kinase domain-like protein

Ligand: PXN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	4MWIA

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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	MLKL	MLKL_HUMAN	4MWIA	Q8NB16	193	470	471.0	PXN:501	Allosteric	Pseudo	DFGin	5.1005	14.0265	BLBminus	-145.19, 176.51	81.47, 24.62	-54.37, 137.54	316.54, 101.19	-155.24, 156.88	in-in	in	8.284	Saltbr-in	2.7854	HRD-naE	-64.85, -47.54	108.98, -24.83	in-out-out	SNCioo	out-out	ActLoopNT-out	9.8484	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-117.89, 131.59	APE9-dihe-na	-66.57, 138.55	APE8-dihe-out	-59.77, -32.75	APE8-rot-in	293.62	APE67-dihe-in	-64.78, -27.84	-54.61, -33.19	APE12-dist-out	18.7088	APE11-dist-out	22.4285	APE10-dist-out	19.5594	APE9-dist-out	13.893	None	None	None	XRAY	1.7	0.166	0.194	A	294.0	266.0	12	32	20	12	[[204, 468]]	1.0	4mwi	Homo sapiens	OTHER_MLKL_HUMAN	TKL	1.3e-50	178.3	7.0	266.0	260.0	348	349	350	352	354	230	250	254	328	330	329	331.0	394	380	375	374	373	372	371	370	369	284	Mixed lineage kinase domain-like protein

Ligand: PXN

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