KinCore

Ligand: LGX

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	3NW5A

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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	IGF1R	IGF1R_HUMAN	3NW5A	P08069	985	1286	1367.0	LGX:60001	Type1	Inactive	DFGin	6.6959	16.8864	None	-72.74, 167.89	-46.3, 134.17	-70.68, 160.99	291.97, 0.43	38.79, 22.82	out-out	out	10.246	Saltbr-out	5.6112	HRD-in	-64.28, -52.64	77.7, -10.43	out-out-in	SNCooi	out-in	ActLoopNT-out	16.5593	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-63.81, 115.11	APE9-dihe-in	-124.48, 143.18	APE8-dihe-in	-78.32, 63.38	APE8-rot-na	28.02	APE67-dihe-in	-71.11, -14.08	-47.07, -38.36	APE12-dist-na	20.2949	APE11-dist-na	16.0987	APE10-dist-na	12.81	APE9-dist-in	7.3623	None	None	None	XRAY	2.14	0.196	0.254	A	307.0	302.0	0	30	30	0	[[999, 1268]]	1.0	3nw5	TYR_IGF1R_HUMAN	TYR	1.9e-95	325.0	1.0	260.0	260.0	1152	1153	1154	1156	1158	1033	1050	1054	1132	1134	1133	1135.0	1194	1182	1177	1176	1175	1174	1173	1172	1171	1080	Insulin-like growth factor 1 receptor

Ligand: LGX

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	3NW5A

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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	IGF1R	IGF1R_HUMAN	3NW5A	P08069	985	1286	1367.0	LGX:60001	Type1	Inactive	DFGin	6.6959	16.8864	None	-72.74, 167.89	-46.3, 134.17	-70.68, 160.99	291.97, 0.43	38.79, 22.82	out-out	out	10.246	Saltbr-out	5.6112	HRD-in	-64.28, -52.64	77.7, -10.43	out-out-in	SNCooi	out-in	ActLoopNT-out	16.5593	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-63.81, 115.11	APE9-dihe-in	-124.48, 143.18	APE8-dihe-in	-78.32, 63.38	APE8-rot-na	28.02	APE67-dihe-in	-71.11, -14.08	-47.07, -38.36	APE12-dist-na	20.2949	APE11-dist-na	16.0987	APE10-dist-na	12.81	APE9-dist-in	7.3623	None	None	None	XRAY	2.14	0.196	0.254	A	307.0	302.0	0	30	30	0	[[999, 1268]]	1.0	3nw5	Homo sapiens	TYR_IGF1R_HUMAN	TYR	1.9e-95	325.0	1.0	260.0	260.0	1152	1153	1154	1156	1158	1033	1050	1054	1132	1134	1133	1135.0	1194	1182	1177	1176	1175	1174	1173	1172	1171	1080	Insulin-like growth factor 1 receptor

Ligand: LGX

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