KinCore

Ligand: 551

Total number of chains: 4

Active chains: 4

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	5CU2A

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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	5CX9B	P68400	3	327	391.0	551:403,551:404	Allosteric,Allosteric	Active	DFGin	7.5039	16.3509	BLAminus	-114.1, -178.19	51.28, 77.18	-89.91, 17.7	295.12, 79.54	-63.86, -22.66	in-in	in	9.5126	Saltbr-in	2.8042	HRD-in	-72.62, -44.58	65.56, 12.0	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9085	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.85, 171.88	APE9-dihe-na	62.53, 168.99	APE8-dihe-in	-97.53, 143.15	APE8-rot-in	300.82	APE67-dihe-in	-64.6, -21.04	-31.64, -58.34	APE12-dist-in	12.5755	APE11-dist-in	10.286	APE10-dist-in	6.0268	APE9-dist-in	3.1401	R21S	None	None	XRAY	1.732	0.189	0.198	B	352.0	325.0	0	27	27	0	[[39, 324]]	1.0	5cx9	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CX9A	P68400	2	329	391.0	551:405,551:406,551:407	Allosteric,Allosteric,Allosteric	Active	DFGin	7.5478	16.0803	BLAminus	-118.11, -178.08	51.7, 77.69	-91.35, 18.61	294.81, 79.64	-63.8, -23.07	in-in	in	9.2924	Saltbr-in	2.7257	HRD-in	-74.63, -47.01	66.99, 12.55	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0224	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.8, 172.6	APE9-dihe-na	62.14, 168.49	APE8-dihe-in	-100.3, 141.11	APE8-rot-in	309.31	APE67-dihe-in	-67.29, -18.17	-30.46, -55.43	APE12-dist-in	12.6261	APE11-dist-in	10.3319	APE10-dist-in	6.0939	APE9-dist-in	3.1959	R21S	None	None	XRAY	1.732	0.189	0.198	A	352.0	328.0	0	27	27	0	[[39, 324]]	1.0	5cx9	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CU2A	P68400	2	329	391.0	551:401,551:402,551:403,54G:404	Allosteric,Allosteric,Allosteric,Type1	Active	DFGin	7.5185	16.2094	BLAminus	-113.66, -177.31	51.16, 77.73	-89.83, 18.07	294.61, 78.9	-65.06, -23.44	in-in	in	9.3996	Saltbr-in	2.7261	HRD-in	-76.06, -45.19	67.54, 11.18	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9524	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.97, 173.4	APE9-dihe-na	61.24, 163.5	APE8-dihe-in	-94.92, 144.32	APE8-rot-in	296.75	APE67-dihe-in	-65.7, -18.97	-31.9, -56.38	APE12-dist-in	12.6017	APE11-dist-in	10.278	APE10-dist-in	6.0776	APE9-dist-in	3.2171	R21S	None	None	XRAY	1.705	0.184	0.204	A	352.0	328.0	0	27	27	0	[[39, 324]]	1.0	5cu2	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CU2B	P68400	3	327	391.0	551:401,551:402,54G:403	Allosteric,Allosteric,Type1	Active	DFGin	7.4844	16.3613	BLAminus	-112.75, -177.3	50.36, 74.97	-87.28, 18.57	295.0, 80.7	-65.4, -23.23	in-in	in	9.4949	Saltbr-in	2.7653	HRD-in	-74.03, -45.41	67.64, 11.27	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9305	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.42, 172.71	APE9-dihe-na	62.21, 161.82	APE8-dihe-in	-90.75, 143.8	APE8-rot-in	295.24	APE67-dihe-in	-64.1, -19.98	-31.79, -58.09	APE12-dist-in	12.5195	APE11-dist-in	10.2429	APE10-dist-in	6.0276	APE9-dist-in	3.2078	R21S	None	None	XRAY	1.705	0.184	0.204	B	352.0	325.0	0	27	27	0	[[39, 324]]	1.0	5cu2	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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

Ligand: 551

Total number of chains: 4

Active chains: 4

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	5CU2A

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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	5CX9B	P68400	3	327	391.0	551:403,551:404	Allosteric,Allosteric	Active	DFGin	7.5039	16.3509	BLAminus	-114.1, -178.19	51.28, 77.18	-89.91, 17.7	295.12, 79.54	-63.86, -22.66	in-in	in	9.5126	Saltbr-in	2.8042	HRD-in	-72.62, -44.58	65.56, 12.0	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9085	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.85, 171.88	APE9-dihe-na	62.53, 168.99	APE8-dihe-in	-97.53, 143.15	APE8-rot-in	300.82	APE67-dihe-in	-64.6, -21.04	-31.64, -58.34	APE12-dist-in	12.5755	APE11-dist-in	10.286	APE10-dist-in	6.0268	APE9-dist-in	3.1401	R21S	None	None	XRAY	1.732	0.189	0.198	B	352.0	325.0	0	27	27	0	[[39, 324]]	1.0	5cx9	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CX9A	P68400	2	329	391.0	551:405,551:406,551:407	Allosteric,Allosteric,Allosteric	Active	DFGin	7.5478	16.0803	BLAminus	-118.11, -178.08	51.7, 77.69	-91.35, 18.61	294.81, 79.64	-63.8, -23.07	in-in	in	9.2924	Saltbr-in	2.7257	HRD-in	-74.63, -47.01	66.99, 12.55	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0224	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.8, 172.6	APE9-dihe-na	62.14, 168.49	APE8-dihe-in	-100.3, 141.11	APE8-rot-in	309.31	APE67-dihe-in	-67.29, -18.17	-30.46, -55.43	APE12-dist-in	12.6261	APE11-dist-in	10.3319	APE10-dist-in	6.0939	APE9-dist-in	3.1959	R21S	None	None	XRAY	1.732	0.189	0.198	A	352.0	328.0	0	27	27	0	[[39, 324]]	1.0	5cx9	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CU2A	P68400	2	329	391.0	551:401,551:402,551:403,54G:404	Allosteric,Allosteric,Allosteric,Type1	Active	DFGin	7.5185	16.2094	BLAminus	-113.66, -177.31	51.16, 77.73	-89.83, 18.07	294.61, 78.9	-65.06, -23.44	in-in	in	9.3996	Saltbr-in	2.7261	HRD-in	-76.06, -45.19	67.54, 11.18	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9524	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.97, 173.4	APE9-dihe-na	61.24, 163.5	APE8-dihe-in	-94.92, 144.32	APE8-rot-in	296.75	APE67-dihe-in	-65.7, -18.97	-31.9, -56.38	APE12-dist-in	12.6017	APE11-dist-in	10.278	APE10-dist-in	6.0776	APE9-dist-in	3.2171	R21S	None	None	XRAY	1.705	0.184	0.204	A	352.0	328.0	0	27	27	0	[[39, 324]]	1.0	5cu2	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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	5CU2B	P68400	3	327	391.0	551:401,551:402,54G:403	Allosteric,Allosteric,Type1	Active	DFGin	7.4844	16.3613	BLAminus	-112.75, -177.3	50.36, 74.97	-87.28, 18.57	295.0, 80.7	-65.4, -23.23	in-in	in	9.4949	Saltbr-in	2.7653	HRD-in	-74.03, -45.41	67.64, 11.27	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9305	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.42, 172.71	APE9-dihe-na	62.21, 161.82	APE8-dihe-in	-90.75, 143.8	APE8-rot-in	295.24	APE67-dihe-in	-64.1, -19.98	-31.79, -58.09	APE12-dist-in	12.5195	APE11-dist-in	10.2429	APE10-dist-in	6.0276	APE9-dist-in	3.2078	R21S	None	None	XRAY	1.705	0.184	0.204	B	352.0	325.0	0	27	27	0	[[39, 324]]	1.0	5cu2	Homo sapiens	CMGC_CSNK2A1_HUMAN	CMGC	1.6e-69	240.4	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

Ligand: 551

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