KinCore

PDB: 6GU6 — CMGC CDK1_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	6GU6A

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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	CDK1	CDK1_HUMAN	6GU6A	P06493	1	291	297.0	1QK:301	Type1	Inactive	DFGin	5.8179	12.8571	BLBplus	-115.67, 150.99	76.51, 17.55	-62.08, 137.01	54.81, 86.96	80.64, -12.23	out-out	out	15.1693	Saltbr-out	15.4198	HRD-in	-95.81, -60.19	82.87, -21.8	out-out-out	SNCooo	out-out	ActLoopNT-out	5.8423	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oooo	APE10-dihe-na	-35.71, -52.39	APE9-dihe-na	-41.22, -41.95	APE8-dihe-out	-70.0, -31.83	APE8-rot-out	220.63	APE67-dihe-in	-68.3, -21.61	-63.79, -23.1	APE12-dist-out	21.0611	APE11-dist-out	15.9029	APE10-dist-out	21.5883	APE9-dist-out	11.9663	None	None	None	XRAY	2.33	0.203	0.246	A	302.0	288.0	3	28	25	3	[[4, 287]]	1.0	6gu6	CMGC_CDK1_HUMAN	CMGC	2.7e-87	298.9	1.0	301.0	301.0	145	146	147	149	151	33	51	55	125	127	126	128.0	186	173	168	167	166	165	164	163	162	81	Cyclin-dependent kinase 1

PDB: 6GU6 — CMGC CDK1_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	6GU6A

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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	CDK1	CDK1_HUMAN	6GU6A	P06493	1	291	297.0	1QK:301	Type1	Inactive	DFGin	5.8179	12.8571	BLBplus	-115.67, 150.99	76.51, 17.55	-62.08, 137.01	54.81, 86.96	80.64, -12.23	out-out	out	15.1693	Saltbr-out	15.4198	HRD-in	-95.81, -60.19	82.87, -21.8	out-out-out	SNCooo	out-out	ActLoopNT-out	5.8423	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_oooo	APE10-dihe-na	-35.71, -52.39	APE9-dihe-na	-41.22, -41.95	APE8-dihe-out	-70.0, -31.83	APE8-rot-out	220.63	APE67-dihe-in	-68.3, -21.61	-63.79, -23.1	APE12-dist-out	21.0611	APE11-dist-out	15.9029	APE10-dist-out	21.5883	APE9-dist-out	11.9663	None	None	None	XRAY	2.33	0.203	0.246	A	302.0	288.0	3	28	25	3	[[4, 287]]	1.0	6gu6	Homo sapiens	CMGC_CDK1_HUMAN	CMGC	2.7e-87	298.9	1.0	301.0	301.0	145	146	147	149	151	33	51	55	125	127	126	128.0	186	173	168	167	166	165	164	163	162	81	Cyclin-dependent kinase 1

PDB: 6GU6 — CMGC CDK1_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