KinCore

Ligand: RTJ

Total number of chains: 3

Active chains: 0

Total number of genes: 1

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

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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	6VXUA	Q99986	20	341	396.0	RTJ:401	Type1	Inactive	DFGin	7.8621	14.767	BLAminus	-116.09, -176.76	69.03, 83.37	-108.12, 16.65	297.7, 83.13	-60.6, -33.46	in-in	in	8.0707	Saltbr-in	2.8967	HRD-in	-87.24, -50.72	76.7, 3.05	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9121	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iooi	APE10-dihe-na	-61.86, -42.13	APE9-dihe-na	84.56, -165.24	APE8-dihe-in	-100.43, 134.53	APE8-rot-in	297.58	APE67-dihe-in	-64.8, -37.64	-59.95, -41.99	APE12-dist-in	8.5922	APE11-dist-out	5.8108	APE10-dist-out	9.2755	APE9-dist-in	3.6384	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	A	364.0	320.0	2	35	33	2	[[37, 326]]	1.0	6vxu	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	6VXUB	Q99986	23	341	396.0	RTJ:401	Type1	Inactive	DFGin	8.3564	14.3962	BLAminus	-115.25, -172.58	58.96, 80.43	-102.19, 15.99	295.03, 79.35	-53.51, -31.06	in-in	in	7.7028	Saltbr-in	2.8984	HRD-in	-86.55, -50.19	77.02, 4.28	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9309	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-71.01, 151.52	APE9-dihe-na	94.76, -162.04	APE8-dihe-in	-95.43, 120.53	APE8-rot-in	305.49	APE67-dihe-in	-66.08, -28.71	-55.22, -42.84	APE12-dist-out	15.1157	APE11-dist-in	13.576	APE10-dist-in	7.9006	APE9-dist-in	4.0832	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	B	364.0	305.0	14	35	35	0	[[37, 326]]	1.0	6vxu	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	6VXUD	Q99986	22	341	396.0	RTJ:401	Type1	Inactive	DFGin	8.3037	14.5884	BLAminus	-114.73, 173.56	70.79, 81.33	-98.17, 34.06	290.85, 75.87	-67.02, -28.17	in-in	in	7.7805	Saltbr-in	3.0797	HRD-in	-88.21, -50.41	77.09, 4.09	in-in-out	SNCiio	in-out	ActLoopNT-in	2.931	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-58.15, 152.14	APE9-dihe-na	92.67, -162.03	APE8-dihe-in	-95.3, 121.05	APE8-rot-in	306.93	APE67-dihe-in	-66.14, -28.94	-54.64, -43.17	APE12-dist-out	14.7511	APE11-dist-in	13.2418	APE10-dist-in	7.4403	APE9-dist-in	4.088	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	D	364.0	315.0	5	35	35	0	[[37, 326]]	1.0	6vxu	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

Ligand: RTJ

Total number of chains: 3

Active chains: 0

Total number of genes: 1

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

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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	6VXUA	Q99986	20	341	396.0	RTJ:401	Type1	Inactive	DFGin	7.8621	14.767	BLAminus	-116.09, -176.76	69.03, 83.37	-108.12, 16.65	297.7, 83.13	-60.6, -33.46	in-in	in	8.0707	Saltbr-in	2.8967	HRD-in	-87.24, -50.72	76.7, 3.05	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9121	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iooi	APE10-dihe-na	-61.86, -42.13	APE9-dihe-na	84.56, -165.24	APE8-dihe-in	-100.43, 134.53	APE8-rot-in	297.58	APE67-dihe-in	-64.8, -37.64	-59.95, -41.99	APE12-dist-in	8.5922	APE11-dist-out	5.8108	APE10-dist-out	9.2755	APE9-dist-in	3.6384	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	A	364.0	320.0	2	35	33	2	[[37, 326]]	1.0	6vxu	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	6VXUB	Q99986	23	341	396.0	RTJ:401	Type1	Inactive	DFGin	8.3564	14.3962	BLAminus	-115.25, -172.58	58.96, 80.43	-102.19, 15.99	295.03, 79.35	-53.51, -31.06	in-in	in	7.7028	Saltbr-in	2.8984	HRD-in	-86.55, -50.19	77.02, 4.28	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9309	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-71.01, 151.52	APE9-dihe-na	94.76, -162.04	APE8-dihe-in	-95.43, 120.53	APE8-rot-in	305.49	APE67-dihe-in	-66.08, -28.71	-55.22, -42.84	APE12-dist-out	15.1157	APE11-dist-in	13.576	APE10-dist-in	7.9006	APE9-dist-in	4.0832	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	B	364.0	305.0	14	35	35	0	[[37, 326]]	1.0	6vxu	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	6VXUD	Q99986	22	341	396.0	RTJ:401	Type1	Inactive	DFGin	8.3037	14.5884	BLAminus	-114.73, 173.56	70.79, 81.33	-98.17, 34.06	290.85, 75.87	-67.02, -28.17	in-in	in	7.7805	Saltbr-in	3.0797	HRD-in	-88.21, -50.41	77.09, 4.09	in-in-out	SNCiio	in-out	ActLoopNT-in	2.931	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oiii	APE10-dihe-na	-58.15, 152.14	APE9-dihe-na	92.67, -162.03	APE8-dihe-in	-95.3, 121.05	APE8-rot-in	306.93	APE67-dihe-in	-66.14, -28.94	-54.64, -43.17	APE12-dist-out	14.7511	APE11-dist-in	13.2418	APE10-dist-in	7.4403	APE9-dist-in	4.088	K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A	None	None	XRAY	2.0	0.185	0.203	D	364.0	315.0	5	35	35	0	[[37, 326]]	1.0	6vxu	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

Ligand: RTJ

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