KinCore

PDB: 4Y0X — OTHER PKNG_MYCTU

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	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

PDB: 4Y0X — OTHER PKNG_MYCTU

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%	4Y0XA

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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	PKNG	PKNG_MYCTU	4Y0XA	P9WI73	83	404	750.0	ADP:501	ATPlike	Inactive	DFGin	6.7267	11.5343	BLAminus	-117.75, -169.01	53.44, 71.03	-83.15, 12.14	305.33, 8.75	-59.16, -32.06	out-out	out	15.116	Saltbr-out	15.0592	HRD-in	-73.44, -41.15	68.04, -13.32	out-in-out	SNCoio	in-out	ActLoopNT-in	2.7773	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-55.23, 147.28	APE9-dihe-na	-174.26, 176.21	APE8-dihe-in	-98.04, 125.35	APE8-rot-in	298.01	APE67-dihe-inflip	105.55, -13.26	-56.87, 129.33	APE12-dist-out	5.5418	APE11-dist-in	10.1536	APE10-dist-in	7.3709	APE9-dist-in	5.7905	None	None	None	XRAY	1.74	0.198	0.209	A	375.0	322.0	0	24	24	0	[[151, 345]]	1.0	4y0x	Mycobacterium tuberculosis	OTHER_PKNG_MYCTU	CAMK	8.2e-22	86.0	1.0	186.0	186.0	292	293	294	296	298	181	198	202	273	275	274	276.0	327	316	311	310	309	308	307	306	305	233	Serine/threonine-protein kinase PknG

PDB: 4Y0X — OTHER PKNG_MYCTU

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%	4Y0XA

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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	PKNG	PKNG_MYCTU	4Y0XA	P9WI73	83	404	750.0	ADP:501	ATPlike	Inactive	DFGin	6.7267	11.5343	BLAminus	-117.75, -169.01	53.44, 71.03	-83.15, 12.14	305.33, 8.75	-59.16, -32.06	out-out	out	15.116	Saltbr-out	15.0592	HRD-in	-73.44, -41.15	68.04, -13.32	out-in-out	SNCoio	in-out	ActLoopNT-in	2.7773	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-55.23, 147.28	APE9-dihe-na	-174.26, 176.21	APE8-dihe-in	-98.04, 125.35	APE8-rot-in	298.01	APE67-dihe-inflip	105.55, -13.26	-56.87, 129.33	APE12-dist-out	5.5418	APE11-dist-in	10.1536	APE10-dist-in	7.3709	APE9-dist-in	5.7905	None	None	None	XRAY	1.74	0.198	0.209	A	375.0	322.0	0	24	24	0	[[151, 345]]	1.0	4y0x	Mycobacterium tuberculosis	OTHER_PKNG_MYCTU	CAMK	8.2e-22	86.0	1.0	186.0	186.0	292	293	294	296	298	181	198	202	273	275	274	276.0	327	316	311	310	309	308	307	306	305	233	Serine/threonine-protein kinase PknG