KinCore

Ligand: A1BIQ

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

Ligand: A1BIQ

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%	9EDVA

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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
CK1	YCK2	YCK2_CANAL	9EDVA	A0A1D8PKB4	37	342	495.0	A1BIQ:401	Type1	Inactive	DFGin	6.4832	14.887	BLAminus	-140.35, -178.36	59.02, 89.47	-110.72, 27.99	293.31, 83.02	-67.4, -9.1	in-in	in	8.042	Saltbr-in	2.7759	HRD-in	-88.21, -49.53	66.46, -0.13	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9535	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioi	APE10-dihe-na	-118.67, 128.43	APE9-dihe-na	131.05, -167.71	APE8-dihe-in	-89.12, 113.18	APE8-rot-out	37.96	APE67-dihe-in	-72.62, -26.94	-67.59, -12.54	APE12-dist-in	13.5915	APE11-dist-in	13.7197	APE10-dist-out	8.5728	APE9-dist-in	5.7711	None	None	None	XRAY	2.42	0.239	0.293	A	309.0	306.0	0	35	35	0	[[44, 312]]	1.0	9edv	Candida albicans	CK1_YCK2_CANAL	CK1	4.4e-95	324.0	1.0	260.0	260.0	185	186	187	189	191	73	87	91	160	162	161	163.0	232	220	215	214	213	212	211	210	209	118	Serine/threonine protein kinase YCK2

Ligand: A1BIQ

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%	9EDVA

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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
CK1	YCK2	YCK2_CANAL	9EDVA	A0A1D8PKB4	37	342	495.0	A1BIQ:401	Type1	Inactive	DFGin	6.4832	14.887	BLAminus	-140.35, -178.36	59.02, 89.47	-110.72, 27.99	293.31, 83.02	-67.4, -9.1	in-in	in	8.042	Saltbr-in	2.7759	HRD-in	-88.21, -49.53	66.46, -0.13	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9535	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioi	APE10-dihe-na	-118.67, 128.43	APE9-dihe-na	131.05, -167.71	APE8-dihe-in	-89.12, 113.18	APE8-rot-out	37.96	APE67-dihe-in	-72.62, -26.94	-67.59, -12.54	APE12-dist-in	13.5915	APE11-dist-in	13.7197	APE10-dist-out	8.5728	APE9-dist-in	5.7711	None	None	None	XRAY	2.42	0.239	0.293	A	309.0	306.0	0	35	35	0	[[44, 312]]	1.0	9edv	Candida albicans	CK1_YCK2_CANAL	CK1	4.4e-95	324.0	1.0	260.0	260.0	185	186	187	189	191	73	87	91	160	162	161	163.0	232	220	215	214	213	212	211	210	209	118	Serine/threonine protein kinase YCK2