KinCore

Ligand: 47I

Total number of chains: 4

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	50.0%	7OZYAAA
DFGin	BLAplus	2	50.0%	7OZBAAA

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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	FGFR1	FGFR1_HUMAN	7OZBAAA	P11362	464	765	822.0	47I:801	Type1	Inactive	DFGin	5.165	13.226	BLAplus	-113.5, 164.02	64.24, 28.44	-81.1, -17.3	55.31, 86.35	-99.81, -4.02	in-in	in	7.678	Saltbr-in	3.035	HRD-in	-68.22, -55.33	81.75, -15.47	in-out-out	SNCioo	out-out	ActLoopNT-out	8.629	ActLoopCT-out	TYR	APEdihe_iioai	APEdist_aaao	APE10-dihe-in	-102.53, 159.74	APE9-dihe-in	-101.43, 112.26	APE8-dihe-out	-54.35, -25.93	APE8-rot-na	332.55	APE67-dihe-in	-70.65, -7.52	-55.15, -25.11	APE12-dist-na	19.292	APE11-dist-na	20.745	APE10-dist-na	19.195	APE9-dist-out	11.664	C488A,C584S	None	None	XRAY	1.71	0.211	0.244	AAA	309	288	14	0	0	0	[[478, 756]]	1.0	7ozb	TYR_FGFR1_HUMAN	TYR	1.4e-104	354.9	1	260	260	640	641	642	644	646	514	531	535	620	622	621	623	682	670	665	664	663	662	661	660	659	562	Fibroblast growth factor receptor 1
TYR	FGFR1	FGFR1_HUMAN	7OZBBBB	P11362	460	764	822.0	47I:801	Type1	Inactive	DFGin	5.22	12.853	BLAplus	-116.55, 158.6	67.07, 25.64	-79.35, -20.91	57.12, 84.44	-89.98, -6.37	in-in	in	7.631	Saltbr-in	2.983	HRD-in	-68.5, -59.33	86.86, -18.0	in-out-out	SNCioo	out-out	ActLoopNT-out	8.193	ActLoopCT-out	TYR	APEdihe_iioai	APEdist_aaao	APE10-dihe-in	-112.69, 159.38	APE9-dihe-in	-99.92, 110.92	APE8-dihe-out	-56.91, -22.49	APE8-rot-na	333.27	APE67-dihe-in	-69.35, -9.22	-56.3, -24.07	APE12-dist-na	19.557	APE11-dist-na	20.901	APE10-dist-na	19.32	APE9-dist-out	11.557	C488A,C584S	None	None	XRAY	1.71	0.211	0.244	BBB	309	291	14	0	0	0	[[478, 756]]	1.0	7ozb	TYR_FGFR1_HUMAN	TYR	1.4e-104	354.9	1	260	260	640	641	642	644	646	514	531	535	620	622	621	623	682	670	665	664	663	662	661	660	659	562	Fibroblast growth factor receptor 1
TYR	FGFR2	FGFR2_HUMAN	7OZYAAA	P21802	467	762	821.0	47I:801	Type1	Inactive	DFGin	6.618	14.218	BLAminus	-128.08, -179.64	55.32, 74.91	-83.11, 15.08	289.1, 82.71	-52.3, -39.22	in-in	in	7.535	Saltbr-in	2.859	HRD-in	-77.89, -51.81	75.61, -0.89	in-in-out	SNCiio	in-out	ActLoopNT-in	2.984	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-109.13, 18.52	APE9-dihe-in	-94.81, 128.18	APE8-dihe-in	-53.28, 119.61	APE8-rot-na	329.84	APE67-dihe-in	-69.21, -9.08	-65.59, -32.88	APE12-dist-na	10.098	APE11-dist-na	10.628	APE10-dist-na	7.348	APE9-dist-in	4.663	None	None	None	XRAY	2.28	0.243	0.296	AAA	303	281	15	0	0	0	[[481, 759]]	1.0	7ozy	TYR_FGFR2_HUMAN	TYR	2.2e-104	354.3	1	260	260	643	644	645	647	649	517	534	538	623	625	624	626	685	673	668	667	666	665	664	663	662	565	Fibroblast growth factor receptor 2
TYR	FGFR2	FGFR2_HUMAN	7OZYBBB	P21802	467	762	821.0	47I:801	Type1	Inactive	DFGin	6.525	14.222	BLAminus	-125.86, 176.96	60.82, 78.39	-85.84, 17.43	287.27, 80.93	-50.81, -42.13	in-in	in	7.411	Saltbr-in	2.925	HRD-in	-87.72, -51.8	77.6, -3.53	in-in-out	SNCiio	in-out	ActLoopNT-in	2.889	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-117.37, 16.38	APE9-dihe-in	-94.48, 132.52	APE8-dihe-in	-58.52, 125.58	APE8-rot-na	337.9	APE67-dihe-in	-78.03, -12.35	-66.5, -32.9	APE12-dist-na	9.938	APE11-dist-na	10.807	APE10-dist-na	7.34	APE9-dist-in	4.825	None	None	None	XRAY	2.28	0.243	0.296	BBB	303	278	18	0	0	0	[[481, 759]]	1.0	7ozy	TYR_FGFR2_HUMAN	TYR	2.2e-104	354.3	1	260	260	643	644	645	647	649	517	534	538	623	625	624	626	685	673	668	667	666	665	664	663	662	565	Fibroblast growth factor receptor 2

Ligand: 47I

Total number of chains: 4

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	50.0%	7OZYAAA
DFGin	BLAplus	2	50.0%	7OZBAAA

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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	FGFR1	FGFR1_HUMAN	7OZBAAA	P11362	464	765	822.0	47I:801	Type1	Inactive	DFGin	5.165	13.226	BLAplus	-113.5, 164.02	64.24, 28.44	-81.1, -17.3	55.31, 86.35	-99.81, -4.02	in-in	in	7.678	Saltbr-in	3.035	HRD-in	-68.22, -55.33	81.75, -15.47	in-out-out	SNCioo	out-out	ActLoopNT-out	8.629	ActLoopCT-out	TYR	APEdihe_iioai	APEdist_aaao	APE10-dihe-in	-102.53, 159.74	APE9-dihe-in	-101.43, 112.26	APE8-dihe-out	-54.35, -25.93	APE8-rot-na	332.55	APE67-dihe-in	-70.65, -7.52	-55.15, -25.11	APE12-dist-na	19.292	APE11-dist-na	20.745	APE10-dist-na	19.195	APE9-dist-out	11.664	C488A,C584S	None	None	XRAY	1.71	0.211	0.244	AAA	309	288	14	0	0	0	[[478, 756]]	1.0	7ozb	Homo sapiens	TYR_FGFR1_HUMAN	TYR	1.4e-104	354.9	1	260	260	640	641	642	644	646	514	531	535	620	622	621	623	682	670	665	664	663	662	661	660	659	562	Fibroblast growth factor receptor 1
TYR	FGFR1	FGFR1_HUMAN	7OZBBBB	P11362	460	764	822.0	47I:801	Type1	Inactive	DFGin	5.22	12.853	BLAplus	-116.55, 158.6	67.07, 25.64	-79.35, -20.91	57.12, 84.44	-89.98, -6.37	in-in	in	7.631	Saltbr-in	2.983	HRD-in	-68.5, -59.33	86.86, -18.0	in-out-out	SNCioo	out-out	ActLoopNT-out	8.193	ActLoopCT-out	TYR	APEdihe_iioai	APEdist_aaao	APE10-dihe-in	-112.69, 159.38	APE9-dihe-in	-99.92, 110.92	APE8-dihe-out	-56.91, -22.49	APE8-rot-na	333.27	APE67-dihe-in	-69.35, -9.22	-56.3, -24.07	APE12-dist-na	19.557	APE11-dist-na	20.901	APE10-dist-na	19.32	APE9-dist-out	11.557	C488A,C584S	None	None	XRAY	1.71	0.211	0.244	BBB	309	291	14	0	0	0	[[478, 756]]	1.0	7ozb	Homo sapiens	TYR_FGFR1_HUMAN	TYR	1.4e-104	354.9	1	260	260	640	641	642	644	646	514	531	535	620	622	621	623	682	670	665	664	663	662	661	660	659	562	Fibroblast growth factor receptor 1
TYR	FGFR2	FGFR2_HUMAN	7OZYAAA	P21802	467	762	821.0	47I:801	Type1	Inactive	DFGin	6.618	14.218	BLAminus	-128.08, -179.64	55.32, 74.91	-83.11, 15.08	289.1, 82.71	-52.3, -39.22	in-in	in	7.535	Saltbr-in	2.859	HRD-in	-77.89, -51.81	75.61, -0.89	in-in-out	SNCiio	in-out	ActLoopNT-in	2.984	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-109.13, 18.52	APE9-dihe-in	-94.81, 128.18	APE8-dihe-in	-53.28, 119.61	APE8-rot-na	329.84	APE67-dihe-in	-69.21, -9.08	-65.59, -32.88	APE12-dist-na	10.098	APE11-dist-na	10.628	APE10-dist-na	7.348	APE9-dist-in	4.663	None	None	None	XRAY	2.28	0.243	0.296	AAA	303	281	15	0	0	0	[[481, 759]]	1.0	7ozy	Homo sapiens	TYR_FGFR2_HUMAN	TYR	2.2e-104	354.3	1	260	260	643	644	645	647	649	517	534	538	623	625	624	626	685	673	668	667	666	665	664	663	662	565	Fibroblast growth factor receptor 2
TYR	FGFR2	FGFR2_HUMAN	7OZYBBB	P21802	467	762	821.0	47I:801	Type1	Inactive	DFGin	6.525	14.222	BLAminus	-125.86, 176.96	60.82, 78.39	-85.84, 17.43	287.27, 80.93	-50.81, -42.13	in-in	in	7.411	Saltbr-in	2.925	HRD-in	-87.72, -51.8	77.6, -3.53	in-in-out	SNCiio	in-out	ActLoopNT-in	2.889	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-117.37, 16.38	APE9-dihe-in	-94.48, 132.52	APE8-dihe-in	-58.52, 125.58	APE8-rot-na	337.9	APE67-dihe-in	-78.03, -12.35	-66.5, -32.9	APE12-dist-na	9.938	APE11-dist-na	10.807	APE10-dist-na	7.34	APE9-dist-in	4.825	None	None	None	XRAY	2.28	0.243	0.296	BBB	303	278	18	0	0	0	[[481, 759]]	1.0	7ozy	Homo sapiens	TYR_FGFR2_HUMAN	TYR	2.2e-104	354.3	1	260	260	643	644	645	647	649	517	534	538	623	625	624	626	685	673	668	667	666	665	664	663	662	565	Fibroblast growth factor receptor 2

Ligand: 47I

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