KinCore

Ligand: V1Y (Belvarafenib)

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%	6XFPA

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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	6XFPA	P15056	449	720	766.0	V1Y:801	Type2	Inactive	DFGout	12.7852	11.7944	BBAminus	-152.68, -168.04	-122.37, 95.79	-81.47, -2.45	289.34, 78.53	-103.07, -17.89	in-in	in	8.8201	Saltbr-in	2.68	HRD-in	-72.84, -49.41	80.71, -18.06	in-out-out	SNCioo	out-out	ActLoopNT-out	15.9122	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_iooo	APE10-dihe-na	-63.42, 112.38	APE9-dihe-na	63.49, 13.54	APE8-dihe-out	-120.51, -9.67	APE8-rot-in	293.98	APE67-dihe-in	-68.28, -18.63	-59.36, -37.51	APE12-dist-in	10.8979	APE11-dist-out	14.0677	APE10-dist-out	10.7388	APE9-dist-out	10.9776	None	None	None	XRAY	2.0	0.207	0.257	A	288.0	272.0	0	30	30	0	[[457, 716]]	1.0	6xfp	TKL_BRAF_HUMAN	TKL	5.8e-84	287.7	4.0	267.0	264.0	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: V1Y (Belvarafenib)

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%	6XFPA

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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	6XFPA	P15056	449	720	766.0	V1Y:801	Type2	Inactive	DFGout	12.7852	11.7944	BBAminus	-152.68, -168.04	-122.37, 95.79	-81.47, -2.45	289.34, 78.53	-103.07, -17.89	in-in	in	8.8201	Saltbr-in	2.68	HRD-in	-72.84, -49.41	80.71, -18.06	in-out-out	SNCioo	out-out	ActLoopNT-out	15.9122	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_iooo	APE10-dihe-na	-63.42, 112.38	APE9-dihe-na	63.49, 13.54	APE8-dihe-out	-120.51, -9.67	APE8-rot-in	293.98	APE67-dihe-in	-68.28, -18.63	-59.36, -37.51	APE12-dist-in	10.8979	APE11-dist-out	14.0677	APE10-dist-out	10.7388	APE9-dist-out	10.9776	None	None	None	XRAY	2.0	0.207	0.257	A	288.0	272.0	0	30	30	0	[[457, 716]]	1.0	6xfp	Homo sapiens	TKL_BRAF_HUMAN	TKL	5.8e-84	287.7	4.0	267.0	264.0	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: V1Y (Belvarafenib)

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