KinCore

Ligand: F8B

Total number of chains: 3

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	3	100.0%	6GQQA

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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	6GQQA	P35968	813	1167	1356.0	F8B:61201	Type2	Inactive	DFGout	16.318	9.893	BBAminus	-140.35, 179.68	-146.82, 105.0	-62.58, -33.91	278.73, 81.84	52.08, -122.03	in-in	in	7.855	Saltbr-in	2.87	HRD-in	-79.41, -58.06	81.99, -7.96	in-out-out	SNCioo	out-out	ActLoopNT-out	16.642	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-102.87, 113.66	APE9-dihe-in	-116.65, 151.24	APE8-dihe-in	-82.45, 66.44	APE8-rot-na	31.58	APE67-dihe-in	-64.76, -12.48	-47.19, -45.1	APE12-dist-na	16.867	APE11-dist-na	13.207	APE10-dist-na	11.633	APE9-dist-out	8.047	None	None	None	XRAY	1.52	0.178	0.204	A	322	304	0	0	0	0	[[834, 1162]]	1.0	6gqq	TYR_KDR_HUMAN	TYR	4.4e-100	340.2	1	260	260	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2
TYR	KIT	KIT_HUMAN	6GQLA	P10721	568	931	976.0	F8B:61001	Type2	Inactive	DFGout	16.298	10.407	BBAminus	-139.81, -179.58	-147.15, 104.1	-62.76, -35.23	278.0, 81.24	49.83, -115.81	in-in	in	7.688	Saltbr-in	2.702	HRD-in	-69.78, -53.4	80.29, -13.23	in-out-in	SNCioi	out-in	ActLoopNT-out	16.604	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-122.57, 101.18	APE9-dihe-in	-117.98, 151.43	APE8-dihe-in	-83.84, 67.65	APE8-rot-na	33.5	APE67-dihe-in	-63.86, -15.23	-50.06, -43.24	APE12-dist-na	16.889	APE11-dist-na	13.629	APE10-dist-na	11.418	APE9-dist-in	7.998	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	2.01	0.202	0.222	A	328	297	6	0	0	0	[[589, 926]]	1.0	6gql	TYR_KIT_HUMAN	TYR	2.4e-104	354.2	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	6GQLB	P10721	577	931	976.0	F8B:61001	Type2	Inactive	DFGout	16.337	10.478	BBAminus	-138.32, -179.86	-148.07, 104.2	-62.14, -34.67	277.43, 81.68	50.68, -116.78	in-in	in	7.731	Saltbr-in	2.741	HRD-in	-68.79, -54.39	79.8, -13.05	in-out-out	SNCioo	out-out	ActLoopNT-out	16.537	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-117.3, 101.37	APE9-dihe-in	-120.57, 151.18	APE8-dihe-in	-84.13, 66.79	APE8-rot-na	32.76	APE67-dihe-in	-64.17, -15.21	-49.48, -43.05	APE12-dist-na	17.164	APE11-dist-na	13.913	APE10-dist-na	11.519	APE9-dist-out	8.06	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	2.01	0.202	0.222	B	328	286	8	0	0	0	[[589, 926]]	1.0	6gql	TYR_KIT_HUMAN	TYR	2.4e-104	354.2	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit

Ligand: F8B

Total number of chains: 3

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	3	100.0%	6GQQA

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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	6GQQA	P35968	813	1167	1356.0	F8B:61201	Type2	Inactive	DFGout	16.318	9.893	BBAminus	-140.35, 179.68	-146.82, 105.0	-62.58, -33.91	278.73, 81.84	52.08, -122.03	in-in	in	7.855	Saltbr-in	2.87	HRD-in	-79.41, -58.06	81.99, -7.96	in-out-out	SNCioo	out-out	ActLoopNT-out	16.642	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-102.87, 113.66	APE9-dihe-in	-116.65, 151.24	APE8-dihe-in	-82.45, 66.44	APE8-rot-na	31.58	APE67-dihe-in	-64.76, -12.48	-47.19, -45.1	APE12-dist-na	16.867	APE11-dist-na	13.207	APE10-dist-na	11.633	APE9-dist-out	8.047	None	None	None	XRAY	1.52	0.178	0.204	A	322	304	0	0	0	0	[[834, 1162]]	1.0	6gqq	Homo sapiens	TYR_KDR_HUMAN	TYR	4.4e-100	340.2	1	260	260	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2
TYR	KIT	KIT_HUMAN	6GQLA	P10721	568	931	976.0	F8B:61001	Type2	Inactive	DFGout	16.298	10.407	BBAminus	-139.81, -179.58	-147.15, 104.1	-62.76, -35.23	278.0, 81.24	49.83, -115.81	in-in	in	7.688	Saltbr-in	2.702	HRD-in	-69.78, -53.4	80.29, -13.23	in-out-in	SNCioi	out-in	ActLoopNT-out	16.604	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-122.57, 101.18	APE9-dihe-in	-117.98, 151.43	APE8-dihe-in	-83.84, 67.65	APE8-rot-na	33.5	APE67-dihe-in	-63.86, -15.23	-50.06, -43.24	APE12-dist-na	16.889	APE11-dist-na	13.629	APE10-dist-na	11.418	APE9-dist-in	7.998	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	2.01	0.202	0.222	A	328	297	6	0	0	0	[[589, 926]]	1.0	6gql	Homo sapiens	TYR_KIT_HUMAN	TYR	2.4e-104	354.2	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	6GQLB	P10721	577	931	976.0	F8B:61001	Type2	Inactive	DFGout	16.337	10.478	BBAminus	-138.32, -179.86	-148.07, 104.2	-62.14, -34.67	277.43, 81.68	50.68, -116.78	in-in	in	7.731	Saltbr-in	2.741	HRD-in	-68.79, -54.39	79.8, -13.05	in-out-out	SNCioo	out-out	ActLoopNT-out	16.537	ActLoopCT-out	TYR	APEdihe_iiiai	APEdist_aaao	APE10-dihe-in	-117.3, 101.37	APE9-dihe-in	-120.57, 151.18	APE8-dihe-in	-84.13, 66.79	APE8-rot-na	32.76	APE67-dihe-in	-64.17, -15.21	-49.48, -43.05	APE12-dist-na	17.164	APE11-dist-na	13.913	APE10-dist-na	11.519	APE9-dist-out	8.06	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	2.01	0.202	0.222	B	328	286	8	0	0	0	[[589, 926]]	1.0	6gql	Homo sapiens	TYR_KIT_HUMAN	TYR	2.4e-104	354.2	1	261	261	809	810	811	813	815	623	640	644	789	791	790	792	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit

Ligand: F8B

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