KinCore

PDB: 6F7B — 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%	6F7BA

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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	6F7BA	O43683	733	1083	1085.0	CVQ:1101	Type1	Inactive	DFGin	5.204	11.3983	BLAminus	-126.36, -174.36	69.54, 95.46	-102.79, 20.07	303.33, 2.4	-61.63, -33.57	in-in	in	7.3902	Saltbr-in	2.8536	HRD-in	-67.06, -52.34	92.92, -9.99	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8844	ActLoopCT-out	nonTYR	APEdihe_aaoio	APEdist_iioo	APE10-dihe-na	-74.7, 171.94	APE9-dihe-na	-80.48, 177.67	APE8-dihe-out	-47.35, -47.06	APE8-rot-in	327.35	APE67-dihe-out	-87.96, 156.59	-88.9, -3.15	APE12-dist-in	11.2725	APE11-dist-in	13.0959	APE10-dist-out	8.947	APE9-dist-out	8.0542	None	SEP969	SEP969	XRAY	2.0	0.201	0.254	A	361.0	343.0	8	30	30	0	[[787, 1056]]	1.0	6f7b	OTHER_BUB1_HUMAN	BUB	4e-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: 6F7B — 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%	6F7BA

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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	6F7BA	O43683	733	1083	1085.0	CVQ:1101	Type1	Inactive	DFGin	5.204	11.3983	BLAminus	-126.36, -174.36	69.54, 95.46	-102.79, 20.07	303.33, 2.4	-61.63, -33.57	in-in	in	7.3902	Saltbr-in	2.8536	HRD-in	-67.06, -52.34	92.92, -9.99	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8844	ActLoopCT-out	nonTYR	APEdihe_aaoio	APEdist_iioo	APE10-dihe-na	-74.7, 171.94	APE9-dihe-na	-80.48, 177.67	APE8-dihe-out	-47.35, -47.06	APE8-rot-in	327.35	APE67-dihe-out	-87.96, 156.59	-88.9, -3.15	APE12-dist-in	11.2725	APE11-dist-in	13.0959	APE10-dist-out	8.947	APE9-dist-out	8.0542	None	SEP969	SEP969	XRAY	2.0	0.201	0.254	A	361.0	343.0	8	30	30	0	[[787, 1056]]	1.0	6f7b	Homo sapiens	OTHER_BUB1_HUMAN	BUB	4e-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: 6F7B — 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