KinCore

Ligand: 9YE

Total number of chains: 5

Active chains: 3

Total number of genes: 2

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

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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	5OMYA	P68400	2	333	391.0	9YE:401	Type1	Active	DFGin	7.4754	16.0453	BLAminus	-119.83, -175.64	53.9, 80.19	-95.9, 19.54	297.04, 81.55	-67.99, -21.24	in-in	in	9.7738	Saltbr-in	2.9226	HRD-in	-75.21, -49.83	70.62, 10.16	in-in-in	SNCiii	in-in	ActLoopNT-in	2.875	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-131.48, 164.02	APE9-dihe-na	66.27, 161.2	APE8-dihe-in	-82.8, 153.45	APE8-rot-in	302.34	APE67-dihe-in	-62.71, -19.81	-51.36, -49.66	APE12-dist-in	12.523	APE11-dist-in	10.0411	APE10-dist-in	6.1669	APE9-dist-in	3.3111	None	None	None	XRAY	1.95	0.194	0.221	A	391.0	332.0	0	27	27	0	[[39, 324]]	1.0	5omy	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5ONIA	P68400	2	335	391.0	9YE:401	Type1	Active	DFGin	7.3209	16.171	BLAminus	-117.37, -176.43	54.16, 80.66	-95.67, 20.37	294.96, 80.01	-70.41, -19.29	in-in	in	9.2845	Saltbr-in	2.6393	HRD-in	-74.32, -47.4	69.23, 12.73	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8226	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-126.53, 177.72	APE9-dihe-na	58.35, 176.78	APE8-dihe-in	-101.76, 150.83	APE8-rot-in	319.44	APE67-dihe-in	-65.56, -16.26	-47.64, -51.3	APE12-dist-in	12.7453	APE11-dist-in	10.7681	APE10-dist-in	6.165	APE9-dist-in	3.2791	None	None	None	XRAY	2.0	0.176	0.204	A	391.0	334.0	0	27	27	0	[[39, 324]]	1.0	5oni	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5ONIB	P68400	2	335	391.0	9YE:401	Type1	Active	DFGin	7.4385	16.3505	BLAminus	-118.34, -176.83	53.63, 80.41	-94.96, 19.11	295.91, 80.31	-69.8, -18.79	in-in	in	9.5541	Saltbr-in	2.6922	HRD-in	-74.59, -46.97	70.04, 10.33	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8764	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-125.63, 175.98	APE9-dihe-na	58.21, 174.93	APE8-dihe-in	-99.48, 152.49	APE8-rot-in	320.3	APE67-dihe-in	-67.68, -14.35	-45.47, -52.74	APE12-dist-in	12.7269	APE11-dist-in	10.5463	APE10-dist-in	6.2092	APE9-dist-in	3.308	None	None	None	XRAY	2.0	0.176	0.204	B	391.0	334.0	0	27	27	0	[[39, 324]]	1.0	5oni	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A2	CSK22_HUMAN	5OOIA	P19784	5	333	350.0	9YE:401	Type1	Inactive	DFGin	7.3937	16.1414	BLAminus	-117.32, -175.13	49.86, 82.31	-92.54, 19.53	293.97, 79.62	-72.32, -15.68	in-in	in	9.3616	Saltbr-in	2.7766	HRD-in	-76.11, -47.99	70.0, 7.9	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9116	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-127.8, 163.36	APE9-dihe-na	74.48, 156.62	APE8-dihe-in	-68.75, 148.83	APE8-rot-out	160.84	APE67-dihe-in	-72.35, -15.47	-47.67, -44.26	APE12-dist-in	12.5269	APE11-dist-in	10.4041	APE10-dist-in	6.1225	APE9-dist-in	3.3357	C336S	None	None	XRAY	1.998	0.175	0.221	A	364.0	329.0	0	27	27	0	[[40, 325]]	1.0	5ooi	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1.0	301.0	301.0	175	176	177	179	181	69	82	86	154	156	155	157.0	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'
CMGC	CSNK2A2	CSK22_HUMAN	5OOIB	P19784	7	331	350.0	9YE:401	Type1	Inactive	DFGin	7.4195	16.0032	BLAminus	-116.85, -175.58	49.67, 80.83	-90.17, 20.03	295.2, 80.51	-72.72, -17.2	in-in	in	9.287	Saltbr-in	2.7897	HRD-in	-76.47, -50.88	70.18, 10.35	in-in-out	SNCiio	in-out	ActLoopNT-in	2.906	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-133.82, 162.52	APE9-dihe-na	70.73, 155.38	APE8-dihe-in	-70.18, 149.2	APE8-rot-out	158.0	APE67-dihe-in	-70.73, -15.65	-46.81, -44.12	APE12-dist-in	12.563	APE11-dist-in	10.2747	APE10-dist-in	6.2018	APE9-dist-in	3.2724	C336S	None	None	XRAY	1.998	0.175	0.221	B	364.0	325.0	0	27	27	0	[[40, 325]]	1.0	5ooi	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1.0	301.0	301.0	175	176	177	179	181	69	82	86	154	156	155	157.0	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'

Ligand: 9YE

Total number of chains: 5

Active chains: 3

Total number of genes: 2

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

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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	CSNK2A1	CSK21_HUMAN	5OMYA	P68400	2	333	391.0	9YE:401	Type1	Active	DFGin	7.4754	16.0453	BLAminus	-119.83, -175.64	53.9, 80.19	-95.9, 19.54	297.04, 81.55	-67.99, -21.24	in-in	in	9.7738	Saltbr-in	2.9226	HRD-in	-75.21, -49.83	70.62, 10.16	in-in-in	SNCiii	in-in	ActLoopNT-in	2.875	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-131.48, 164.02	APE9-dihe-na	66.27, 161.2	APE8-dihe-in	-82.8, 153.45	APE8-rot-in	302.34	APE67-dihe-in	-62.71, -19.81	-51.36, -49.66	APE12-dist-in	12.523	APE11-dist-in	10.0411	APE10-dist-in	6.1669	APE9-dist-in	3.3111	None	None	None	XRAY	1.95	0.194	0.221	A	391.0	332.0	0	27	27	0	[[39, 324]]	1.0	5omy	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5ONIA	P68400	2	335	391.0	9YE:401	Type1	Active	DFGin	7.3209	16.171	BLAminus	-117.37, -176.43	54.16, 80.66	-95.67, 20.37	294.96, 80.01	-70.41, -19.29	in-in	in	9.2845	Saltbr-in	2.6393	HRD-in	-74.32, -47.4	69.23, 12.73	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8226	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-126.53, 177.72	APE9-dihe-na	58.35, 176.78	APE8-dihe-in	-101.76, 150.83	APE8-rot-in	319.44	APE67-dihe-in	-65.56, -16.26	-47.64, -51.3	APE12-dist-in	12.7453	APE11-dist-in	10.7681	APE10-dist-in	6.165	APE9-dist-in	3.2791	None	None	None	XRAY	2.0	0.176	0.204	A	391.0	334.0	0	27	27	0	[[39, 324]]	1.0	5oni	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A1	CSK21_HUMAN	5ONIB	P68400	2	335	391.0	9YE:401	Type1	Active	DFGin	7.4385	16.3505	BLAminus	-118.34, -176.83	53.63, 80.41	-94.96, 19.11	295.91, 80.31	-69.8, -18.79	in-in	in	9.5541	Saltbr-in	2.6922	HRD-in	-74.59, -46.97	70.04, 10.33	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8764	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-125.63, 175.98	APE9-dihe-na	58.21, 174.93	APE8-dihe-in	-99.48, 152.49	APE8-rot-in	320.3	APE67-dihe-in	-67.68, -14.35	-45.47, -52.74	APE12-dist-in	12.7269	APE11-dist-in	10.5463	APE10-dist-in	6.2092	APE9-dist-in	3.308	None	None	None	XRAY	2.0	0.176	0.204	B	391.0	334.0	0	27	27	0	[[39, 324]]	1.0	5oni	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	2.2e-69	239.9	1.0	301.0	301.0	174	175	176	178	180	68	81	85	153	155	154	156.0	214	201	196	195	194	193	192	191	190	114	Casein kinase II subunit alpha
CMGC	CSNK2A2	CSK22_HUMAN	5OOIA	P19784	5	333	350.0	9YE:401	Type1	Inactive	DFGin	7.3937	16.1414	BLAminus	-117.32, -175.13	49.86, 82.31	-92.54, 19.53	293.97, 79.62	-72.32, -15.68	in-in	in	9.3616	Saltbr-in	2.7766	HRD-in	-76.11, -47.99	70.0, 7.9	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9116	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-127.8, 163.36	APE9-dihe-na	74.48, 156.62	APE8-dihe-in	-68.75, 148.83	APE8-rot-out	160.84	APE67-dihe-in	-72.35, -15.47	-47.67, -44.26	APE12-dist-in	12.5269	APE11-dist-in	10.4041	APE10-dist-in	6.1225	APE9-dist-in	3.3357	C336S	None	None	XRAY	1.998	0.175	0.221	A	364.0	329.0	0	27	27	0	[[40, 325]]	1.0	5ooi	Homo sapiens	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1.0	301.0	301.0	175	176	177	179	181	69	82	86	154	156	155	157.0	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'
CMGC	CSNK2A2	CSK22_HUMAN	5OOIB	P19784	7	331	350.0	9YE:401	Type1	Inactive	DFGin	7.4195	16.0032	BLAminus	-116.85, -175.58	49.67, 80.83	-90.17, 20.03	295.2, 80.51	-72.72, -17.2	in-in	in	9.287	Saltbr-in	2.7897	HRD-in	-76.47, -50.88	70.18, 10.35	in-in-out	SNCiio	in-out	ActLoopNT-in	2.906	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-133.82, 162.52	APE9-dihe-na	70.73, 155.38	APE8-dihe-in	-70.18, 149.2	APE8-rot-out	158.0	APE67-dihe-in	-70.73, -15.65	-46.81, -44.12	APE12-dist-in	12.563	APE11-dist-in	10.2747	APE10-dist-in	6.2018	APE9-dist-in	3.2724	C336S	None	None	XRAY	1.998	0.175	0.221	B	364.0	325.0	0	27	27	0	[[40, 325]]	1.0	5ooi	Homo sapiens	CMGC_CSNK2A2_HUMAN	CMGC	1e-69	241.0	1.0	301.0	301.0	175	176	177	179	181	69	82	86	154	156	155	157.0	215	202	197	196	195	194	193	192	191	115	Casein kinase II subunit alpha'

Ligand: 9YE

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