KinCore

Ligand: BPK

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	1	100.0%	3VHKA

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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
TYR	KDR	VGFR2_HUMAN	3VHKA	P35968	814	1168	1356.0	BPK:2001	Type2	Inactive	DFGout	16.4972	9.9697	BBAminus	-142.42, -168.12	-154.13, 113.05	-66.9, -34.19	279.52, 80.67	55.02, -115.26	in-in	in	7.7317	Saltbr-in	2.6852	HRD-in	-85.63, -50.5	78.47, -9.06	in-out-out	SNCioo	out-out	ActLoopNT-out	16.6338	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-101.84, 113.0	APE9-dihe-in	-119.22, 139.89	APE8-dihe-in	-75.91, 70.12	APE8-rot-na	29.63	APE67-dihe-in	-67.23, -15.54	-56.62, -35.16	APE12-dist-na	999.0	APE11-dist-na	13.3761	APE10-dist-na	11.0032	APE9-dist-out	8.1076	None	None	None	XRAY	2.49	0.21	0.262	A	368.0	297.0	58	30	28	2	[[834, 1162]]	1.0	3vhk	TYR_KDR_HUMAN	TYR	2.6e-99	337.7	1.0	260.0	260.0	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028.0	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2

Ligand: BPK

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	1	100.0%	3VHKA

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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
TYR	KDR	VGFR2_HUMAN	3VHKA	P35968	814	1168	1356.0	BPK:2001	Type2	Inactive	DFGout	16.4972	9.9697	BBAminus	-142.42, -168.12	-154.13, 113.05	-66.9, -34.19	279.52, 80.67	55.02, -115.26	in-in	in	7.7317	Saltbr-in	2.6852	HRD-in	-85.63, -50.5	78.47, -9.06	in-out-out	SNCioo	out-out	ActLoopNT-out	16.6338	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-101.84, 113.0	APE9-dihe-in	-119.22, 139.89	APE8-dihe-in	-75.91, 70.12	APE8-rot-na	29.63	APE67-dihe-in	-67.23, -15.54	-56.62, -35.16	APE12-dist-na	999.0	APE11-dist-na	13.3761	APE10-dist-na	11.0032	APE9-dist-out	8.1076	None	None	None	XRAY	2.49	0.21	0.262	A	368.0	297.0	58	30	28	2	[[834, 1162]]	1.0	3vhk	Homo sapiens	TYR_KDR_HUMAN	TYR	2.6e-99	337.7	1.0	260.0	260.0	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028.0	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2

Ligand: BPK

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