KinCore

PDB: 4R8Q — OTHER BUB1_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%	4R8QA

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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
OTHER	BUB1	BUB1_HUMAN	4R8QA	O43683	736	1083	1085.0	ADP:1501	ATPlike	Inactive	DFGin	5.1224	11.8292	BLAminus	-125.96, -174.79	66.73, 90.85	-108.81, 15.71	306.38, 172.71	-63.09, -30.66	in-in	in	7.7114	Saltbr-in	2.8745	HRD-in	-64.09, -49.64	83.12, -3.69	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7626	ActLoopCT-out	nonTYR	APEdihe_aaoio	APEdist_iooo	APE10-dihe-na	-164.58, 163.81	APE9-dihe-na	-85.55, 176.61	APE8-dihe-out	-73.85, 5.37	APE8-rot-in	315.03	APE67-dihe-out	103.71, -26.99	-140.38, 18.96	APE12-dist-in	11.7437	APE11-dist-out	16.3238	APE10-dist-out	13.2043	APE9-dist-out	6.446	None	None	None	XRAY	2.31	0.226	0.264	A	365.0	332.0	16	30	30	0	[[787, 1056]]	1.0	4r8q	OTHER_BUB1_HUMAN	BUB	4.2e-136	458.3	1.0	265.0	265.0	945	946	947	949	951	821	830	834	914	916	915	917.0	987	975	970	969	968	967	966	965	964	867	Mitotic checkpoint serine/threonine-protein kinase BUB1

PDB: 4R8Q — OTHER BUB1_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%	4R8QA

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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
OTHER	BUB1	BUB1_HUMAN	4R8QA	O43683	736	1083	1085.0	ADP:1501	ATPlike	Inactive	DFGin	5.1224	11.8292	BLAminus	-125.96, -174.79	66.73, 90.85	-108.81, 15.71	306.38, 172.71	-63.09, -30.66	in-in	in	7.7114	Saltbr-in	2.8745	HRD-in	-64.09, -49.64	83.12, -3.69	in-in-out	SNCiio	in-out	ActLoopNT-in	2.7626	ActLoopCT-out	nonTYR	APEdihe_aaoio	APEdist_iooo	APE10-dihe-na	-164.58, 163.81	APE9-dihe-na	-85.55, 176.61	APE8-dihe-out	-73.85, 5.37	APE8-rot-in	315.03	APE67-dihe-out	103.71, -26.99	-140.38, 18.96	APE12-dist-in	11.7437	APE11-dist-out	16.3238	APE10-dist-out	13.2043	APE9-dist-out	6.446	None	None	None	XRAY	2.31	0.226	0.264	A	365.0	332.0	16	30	30	0	[[787, 1056]]	1.0	4r8q	Homo sapiens	OTHER_BUB1_HUMAN	BUB	4.2e-136	458.3	1.0	265.0	265.0	945	946	947	949	951	821	830	834	914	916	915	917.0	987	975	970	969	968	967	966	965	964	867	Mitotic checkpoint serine/threonine-protein kinase BUB1

PDB: 4R8Q — OTHER BUB1_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