KinCore

PDB: 5HQ0 — 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	BLAminus	1	100.0%	5HQ0A

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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	5HQ0A	P06493	1	289	297.0	LZ9:60301	Type1	Inactive	DFGin	7.685	14.7402	BLAminus	-147.76, 167.42	62.0, 80.16	-98.31, 21.06	283.74, 78.65	-65.09, -13.07	in-in	in	9.2392	Saltbr-in	2.9301	HRD-in	-76.46, -54.64	83.39, -21.52	in-in-out	SNCiio	in-out	ActLoopNT-in	2.721	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oioo	APE10-dihe-na	-81.01, 171.83	APE9-dihe-na	-73.07, -57.25	APE8-dihe-in	-133.62, 133.83	APE8-rot-out	189.36	APE67-dihe-in	-61.37, -19.11	-108.24, -11.42	APE12-dist-out	14.1771	APE11-dist-in	13.2893	APE10-dist-out	9.3965	APE9-dist-out	11.2887	None	None	None	XRAY	2.3	0.189	0.252	A	302.0	289.0	0	28	28	0	[[4, 287]]	1.0	5hq0	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: 5HQ0 — 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	BLAminus	1	100.0%	5HQ0A

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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	5HQ0A	P06493	1	289	297.0	LZ9:60301	Type1	Inactive	DFGin	7.685	14.7402	BLAminus	-147.76, 167.42	62.0, 80.16	-98.31, 21.06	283.74, 78.65	-65.09, -13.07	in-in	in	9.2392	Saltbr-in	2.9301	HRD-in	-76.46, -54.64	83.39, -21.52	in-in-out	SNCiio	in-out	ActLoopNT-in	2.721	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oioo	APE10-dihe-na	-81.01, 171.83	APE9-dihe-na	-73.07, -57.25	APE8-dihe-in	-133.62, 133.83	APE8-rot-out	189.36	APE67-dihe-in	-61.37, -19.11	-108.24, -11.42	APE12-dist-out	14.1771	APE11-dist-in	13.2893	APE10-dist-out	9.3965	APE9-dist-out	11.2887	None	None	None	XRAY	2.3	0.189	0.252	A	302.0	289.0	0	28	28	0	[[4, 287]]	1.0	5hq0	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: 5HQ0 — 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