KinCore

Ligand: 7EY

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	5M4CA

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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
CMGC	CSNK2A1	CSK21_HUMAN	5M44A	P68400	3	331	391.0	7EY:401	Type1	Inactive	DFGin	7.451	16.126	BLAminus	-118.08, -174.74	54.47, 79.02	-98.36, 23.9	298.52, 79.89	-66.02, -23.89	in-out	in	9.982	Saltbr-out	5.187	HRD-in	-82.26, -46.3	67.96, 12.94	out-in-in	SNCoii	in-in	ActLoopNT-in	2.825	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-113.56, 159.33	APE9-dihe-na	63.28, 164.69	APE8-dihe-in	-81.11, 163.54	APE8-rot-in	298.15	APE67-dihe-in	-67.74, -10.46	-56.56, -45.16	APE12-dist-in	12.489	APE11-dist-in	9.844	APE10-dist-in	6.13	APE9-dist-in	3.379	None	None	None	XRAY	2.71	0.223	0.259	A	335	329	0	0	0	0	[[39, 324]]	1.0	5m44	CMGC_CSNK2A1_HUMAN	CMGC	1.3e-69	240.6	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5M4CA	P68400	3	331	391.0	7EY:401	Type1	Inactive	DFGin	7.448	16.492	BLAminus	-122.84, -177.54	51.53, 76.2	-86.79, 19.13	297.06, 80.84	-72.94, -15.63	in-in	in	9.289	Saltbr-in	2.697	HRD-in	-75.89, -49.5	69.58, 12.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.907	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-130.16, 173.95	APE9-dihe-na	60.24, 171.88	APE8-dihe-in	-91.95, 149.34	APE8-rot-out	149.12	APE67-dihe-in	-73.22, -13.55	-42.84, -48.2	APE12-dist-in	12.798	APE11-dist-in	10.534	APE10-dist-in	6.247	APE9-dist-in	3.186	None	None	None	XRAY	1.935	0.158	0.197	A	335	329	0	0	0	0	[[39, 324]]	1.0	5m4c	CMGC_CSNK2A1_HUMAN	CMGC	1.3e-69	240.6	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha

Ligand: 7EY

Total number of chains: 3

Active chains: 1

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	100.0%	6Z1CA

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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
CMGC	CKA1	CSK21_ARATH	6Z1CA	Q08467	78	409	409.0	7EY:60501	Type1	Active	DFGin	7.389	16.657	BLAminus	-118.8, -175.9	50.11, 74.66	-87.45, 24.57	300.56, 77.78	-73.1, -14.97	in-in	in	9.252	Saltbr-in	2.473	HRD-in	-76.58, -51.39	69.5, 9.4	in-in-in	SNCiii	in-in	ActLoopNT-in	2.813	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.0, 176.1	APE9-dihe-na	59.12, 173.09	APE8-dihe-in	-103.4, 151.43	APE8-rot-in	304.83	APE67-dihe-in	-68.13, -12.89	-42.4, -56.39	APE12-dist-in	12.58	APE11-dist-in	10.335	APE10-dist-in	6.044	APE9-dist-in	2.959	None	None	None	XRAY	1.75	0.197	0.238	A	333	330	0	0	0	0	[[110, 395]]	1.0	6z1c	Arabidopsis thaliana	CMGC_CKA1_ARATH	CMGC	2.4e-65	226.6	1	301	301	245	246	247	249	251	139	152	156	224	226	225	227	285	272	267	266	265	264	263	262	261	185	Casein kinase II subunit alpha-1
CMGC	CSNK2A1	CSK21_HUMAN	5M44A	P68400	3	331	391.0	7EY:401	Type1	Inactive	DFGin	7.451	16.126	BLAminus	-118.08, -174.74	54.47, 79.02	-98.36, 23.9	298.52, 79.89	-66.02, -23.89	in-out	in	9.982	Saltbr-out	5.187	HRD-in	-82.26, -46.3	67.96, 12.94	out-in-in	SNCoii	in-in	ActLoopNT-in	2.825	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-113.56, 159.33	APE9-dihe-na	63.28, 164.69	APE8-dihe-in	-81.11, 163.54	APE8-rot-in	298.15	APE67-dihe-in	-67.74, -10.46	-56.56, -45.16	APE12-dist-in	12.489	APE11-dist-in	9.844	APE10-dist-in	6.13	APE9-dist-in	3.379	None	None	None	XRAY	2.71	0.223	0.259	A	335	329	0	0	0	0	[[39, 324]]	1.0	5m44	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.3e-69	240.6	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5M4CA	P68400	3	331	391.0	7EY:401	Type1	Inactive	DFGin	7.448	16.492	BLAminus	-122.84, -177.54	51.53, 76.2	-86.79, 19.13	297.06, 80.84	-72.94, -15.63	in-in	in	9.289	Saltbr-in	2.697	HRD-in	-75.89, -49.5	69.58, 12.27	in-in-out	SNCiio	in-out	ActLoopNT-in	2.907	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-130.16, 173.95	APE9-dihe-na	60.24, 171.88	APE8-dihe-in	-91.95, 149.34	APE8-rot-out	149.12	APE67-dihe-in	-73.22, -13.55	-42.84, -48.2	APE12-dist-in	12.798	APE11-dist-in	10.534	APE10-dist-in	6.247	APE9-dist-in	3.186	None	None	None	XRAY	1.935	0.158	0.197	A	335	329	0	0	0	0	[[39, 324]]	1.0	5m4c	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.3e-69	240.6	1	301	301	174	175	176	178	180	68	81	85	153	155	154	156	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha

Ligand: 7EY

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	6Z1CA

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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
CMGC	CKA1	CSK21_ARATH	6Z1CA	Q08467	78	409	409.0	7EY:60501	Type1	Active	DFGin	7.389	16.657	BLAminus	-118.8, -175.9	50.11, 74.66	-87.45, 24.57	300.56, 77.78	-73.1, -14.97	in-in	in	9.252	Saltbr-in	2.473	HRD-in	-76.58, -51.39	69.5, 9.4	in-in-in	SNCiii	in-in	ActLoopNT-in	2.813	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.0, 176.1	APE9-dihe-na	59.12, 173.09	APE8-dihe-in	-103.4, 151.43	APE8-rot-in	304.83	APE67-dihe-in	-68.13, -12.89	-42.4, -56.39	APE12-dist-in	12.58	APE11-dist-in	10.335	APE10-dist-in	6.044	APE9-dist-in	2.959	None	None	None	XRAY	1.75	0.197	0.238	A	333	330	0	0	0	0	[[110, 395]]	1.0	6z1c	Arabidopsis thaliana	CMGC_CKA1_ARATH	CMGC	2.4e-65	226.6	1	301	301	245	246	247	249	251	139	152	156	224	226	225	227	285	272	267	266	265	264	263	262	261	185	Casein kinase II subunit alpha-1