KinCore

PDB: 6CQH — CK1 VRK1_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	6CQHB

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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
CK1	VRK1	VRK1_HUMAN	6CQHC	Q99986	21	341	396.0	No_ligand	No_ligand	Inactive	DFGin	7.983	14.8508	BLAminus	-118.07, 171.71	76.59, 94.42	-117.6, 18.62	300.15, 81.64	-66.87, -26.53	in-in	in	8.2056	Saltbr-in	2.6343	HRD-in	-92.02, -48.17	76.02, 0.45	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8765	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnoi	APE10-dihe-na	999.0, 7.71	APE9-dihe-na	82.96, -159.08	APE8-dihe-in	-106.9, 123.02	APE8-rot-in	294.19	APE67-dihe-in	-67.55, -22.98	-57.09, -40.82	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	10.2754	APE9-dist-in	3.6169	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	C	364.0	308.0	13	35	28	7	[[37, 326]]	1.0	6cqh	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHA	Q99986	20	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.0083	14.7631	BLAminus	-111.2, 177.84	71.65, 92.99	-113.5, 20.29	298.38, 81.92	-64.24, -31.74	in-in	in	7.9865	Saltbr-in	2.7186	HRD-in	-84.71, -51.53	76.7, 2.57	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8446	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnoi	APE10-dihe-na	999.0, -17.4	APE9-dihe-na	78.26, -153.63	APE8-dihe-in	-106.52, 129.33	APE8-rot-in	308.27	APE67-dihe-in	-63.14, -26.0	-57.9, -46.8	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	10.1708	APE9-dist-in	3.6025	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	A	364.0	316.0	6	35	31	4	[[37, 326]]	1.0	6cqh	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHB	Q99986	22	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.5706	14.5336	BLAminus	-111.21, 174.84	67.29, 87.72	-103.26, 28.03	297.11, 78.79	-65.77, -35.57	in-in	in	7.6504	Saltbr-in	2.8725	HRD-in	-90.46, -48.61	81.42, 3.81	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0097	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-62.89, 150.55	APE9-dihe-na	106.38, -164.1	APE8-dihe-in	-95.63, 117.11	APE8-rot-in	304.03	APE67-dihe-in	-69.89, -25.07	-49.92, -44.26	APE12-dist-out	15.0759	APE11-dist-in	13.613	APE10-dist-in	7.836	APE9-dist-in	4.0868	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	B	364.0	316.0	4	35	35	0	[[37, 326]]	1.0	6cqh	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHD	Q99986	22	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.174	14.5934	BLAminus	-115.41, 176.27	64.66, 83.6	-96.31, 20.54	290.9, 78.1	-60.27, -27.19	in-in	in	7.7767	Saltbr-in	2.5792	HRD-in	-86.32, -49.88	80.57, -0.25	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0069	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-66.57, 153.39	APE9-dihe-na	100.05, -169.76	APE8-dihe-in	-95.11, 122.88	APE8-rot-in	296.22	APE67-dihe-in	-70.56, -25.23	-58.65, -38.36	APE12-dist-out	14.8604	APE11-dist-in	13.3786	APE10-dist-in	7.5598	APE9-dist-in	4.047	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	D	364.0	315.0	5	35	35	0	[[37, 326]]	1.0	6cqh	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1

PDB: 6CQH — CK1 VRK1_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	6CQHB

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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	VRK1	VRK1_HUMAN	6CQHC	Q99986	21	341	396.0	No_ligand	No_ligand	Inactive	DFGin	7.983	14.8508	BLAminus	-118.07, 171.71	76.59, 94.42	-117.6, 18.62	300.15, 81.64	-66.87, -26.53	in-in	in	8.2056	Saltbr-in	2.6343	HRD-in	-92.02, -48.17	76.02, 0.45	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8765	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnoi	APE10-dihe-na	999.0, 7.71	APE9-dihe-na	82.96, -159.08	APE8-dihe-in	-106.9, 123.02	APE8-rot-in	294.19	APE67-dihe-in	-67.55, -22.98	-57.09, -40.82	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	10.2754	APE9-dist-in	3.6169	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	C	364.0	308.0	13	35	28	7	[[37, 326]]	1.0	6cqh	Homo sapiens	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHA	Q99986	20	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.0083	14.7631	BLAminus	-111.2, 177.84	71.65, 92.99	-113.5, 20.29	298.38, 81.92	-64.24, -31.74	in-in	in	7.9865	Saltbr-in	2.7186	HRD-in	-84.71, -51.53	76.7, 2.57	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8446	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnoi	APE10-dihe-na	999.0, -17.4	APE9-dihe-na	78.26, -153.63	APE8-dihe-in	-106.52, 129.33	APE8-rot-in	308.27	APE67-dihe-in	-63.14, -26.0	-57.9, -46.8	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	10.1708	APE9-dist-in	3.6025	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	A	364.0	316.0	6	35	31	4	[[37, 326]]	1.0	6cqh	Homo sapiens	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHB	Q99986	22	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.5706	14.5336	BLAminus	-111.21, 174.84	67.29, 87.72	-103.26, 28.03	297.11, 78.79	-65.77, -35.57	in-in	in	7.6504	Saltbr-in	2.8725	HRD-in	-90.46, -48.61	81.42, 3.81	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0097	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-62.89, 150.55	APE9-dihe-na	106.38, -164.1	APE8-dihe-in	-95.63, 117.11	APE8-rot-in	304.03	APE67-dihe-in	-69.89, -25.07	-49.92, -44.26	APE12-dist-out	15.0759	APE11-dist-in	13.613	APE10-dist-in	7.836	APE9-dist-in	4.0868	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	B	364.0	316.0	4	35	35	0	[[37, 326]]	1.0	6cqh	Homo sapiens	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1
CK1	VRK1	VRK1_HUMAN	6CQHD	Q99986	22	341	396.0	F8Y:401	Type1	Inactive	DFGin	8.174	14.5934	BLAminus	-115.41, 176.27	64.66, 83.6	-96.31, 20.54	290.9, 78.1	-60.27, -27.19	in-in	in	7.7767	Saltbr-in	2.5792	HRD-in	-86.32, -49.88	80.57, -0.25	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0069	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-66.57, 153.39	APE9-dihe-na	100.05, -169.76	APE8-dihe-in	-95.11, 122.88	APE8-rot-in	296.22	APE67-dihe-in	-70.56, -25.23	-58.65, -38.36	APE12-dist-out	14.8604	APE11-dist-in	13.3786	APE10-dist-in	7.5598	APE9-dist-in	4.047	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.15	0.203	0.239	D	364.0	315.0	5	35	35	0	[[37, 326]]	1.0	6cqh	Homo sapiens	CK1_VRK1_HUMAN	CK1	8.4e-105	355.8	1.0	261.0	261.0	196	197	198	200	202	71	83	87	174	176	175	177.0	243	231	226	225	224	223	222	221	220	132	Serine/threonine-protein kinase VRK1

PDB: 6CQH — CK1 VRK1_HUMAN

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