KinCore

Ligand: A1AN9

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	1	100.0%	9BFBA

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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
TKL	BRAF	BRAF_HUMAN	9BFBA	P15056	448	721	766.0	A1AN9:803	Type1	Inactive	DFGin	5.3236	13.5712	BLAplus	-126.78, -169.92	68.06, 26.72	-98.4, -4.13	57.41, 91.95	-79.05, 165.15	out-out	out	12.6679	Saltbr-out	12.0741	HRD-in	-66.55, -53.43	79.05, -12.09	out-out-out	SNCooo	out-out	ActLoopNT-out	8.8618	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_iooo	APE10-dihe-na	-57.65, -38.69	APE9-dihe-na	-78.55, -14.23	APE8-dihe-out	-117.57, -4.84	APE8-rot-out	65.23	APE67-dihe-in	-63.24, -28.07	-55.27, -36.67	APE12-dist-in	12.0578	APE11-dist-out	16.695	APE10-dist-out	19.2896	APE9-dist-out	10.8372	F667A,R671A,Y673A	None	None	XRAY	1.92	0.166	0.189	A	294.0	272.0	2	30	30	0	[[457, 716]]	1.0	9bfb	TKL_BRAF_HUMAN	TKL	1e-81	280.4	4.0	266.0	263.0	593	594	595	597	599	483	501	505	573	575	574	576.0	638	623	618	617	616	615	614	613	612	530	Serine/threonine-protein kinase B-raf

Ligand: A1AN9

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAplus	1	100.0%	9BFBA

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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
TKL	BRAF	BRAF_HUMAN	9BFBA	P15056	448	721	766.0	A1AN9:803	Type1	Inactive	DFGin	5.3236	13.5712	BLAplus	-126.78, -169.92	68.06, 26.72	-98.4, -4.13	57.41, 91.95	-79.05, 165.15	out-out	out	12.6679	Saltbr-out	12.0741	HRD-in	-66.55, -53.43	79.05, -12.09	out-out-out	SNCooo	out-out	ActLoopNT-out	8.8618	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_iooo	APE10-dihe-na	-57.65, -38.69	APE9-dihe-na	-78.55, -14.23	APE8-dihe-out	-117.57, -4.84	APE8-rot-out	65.23	APE67-dihe-in	-63.24, -28.07	-55.27, -36.67	APE12-dist-in	12.0578	APE11-dist-out	16.695	APE10-dist-out	19.2896	APE9-dist-out	10.8372	F667A,R671A,Y673A	None	None	XRAY	1.92	0.166	0.189	A	294.0	272.0	2	30	30	0	[[457, 716]]	1.0	9bfb	Homo sapiens	TKL_BRAF_HUMAN	TKL	1e-81	280.4	4.0	266.0	263.0	593	594	595	597	599	483	501	505	573	575	574	576.0	638	623	618	617	616	615	614	613	612	530	Serine/threonine-protein kinase B-raf

Ligand: A1AN9

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