KinCore

Ligand: P17

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBminus	1	100.0%	5IA3A

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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	EPHA2	EPHA2_HUMAN	5IA3A	P29317	602	896	976.0	P17:1001	Type1	Inactive	DFGin	6.244	14.848	BLBminus	-140.25, -177.97	75.12, 87.33	-118.87, 162.99	296.17, 108.02	122.4, -163.0	in-in	in	8.321	Saltbr-in	2.649	HRD-in	-77.68, -48.9	76.3, -15.94	in-out-none	SNCion	out-none	ActLoopNT-out	9.267	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 154.55	APE8-dihe-in	-79.35, 94.2	APE8-rot-na	29.88	APE67-dihe-in	-64.17, -17.19	-57.49, -47.32	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	6.641	None	None	None	XRAY	1.788	0.163	0.204	A	306	275	20	0	0	16	[[613, 873]]	1.0	5ia3	TYR_EPHA2_HUMAN	TYR	5.5e-108	366.1	2	261	260	756	757	758	760	762	646	663	667	736	738	737	739	799	787	782	781	780	779	778	777	776	693	Ephrin type-A receptor 2

Ligand: P17

Total number of chains: 3

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	2	66.7%	1M52A
DFGin	BLBminus	1	33.3%	5IA3A

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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	EPHA2	EPHA2_HUMAN	5IA3A	P29317	602	896	976.0	P17:1001	Type1	Inactive	DFGin	6.244	14.848	BLBminus	-140.25, -177.97	75.12, 87.33	-118.87, 162.99	296.17, 108.02	122.4, -163.0	in-in	in	8.321	Saltbr-in	2.649	HRD-in	-77.68, -48.9	76.3, -15.94	in-out-none	SNCion	out-none	ActLoopNT-out	9.267	ActLoopCT-none	TYR	APEdihe_nniai	APEdist_aaai	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 154.55	APE8-dihe-in	-79.35, 94.2	APE8-rot-na	29.88	APE67-dihe-in	-64.17, -17.19	-57.49, -47.32	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	6.641	None	None	None	XRAY	1.788	0.163	0.204	A	306	275	20	0	0	16	[[613, 873]]	1.0	5ia3	Homo sapiens	TYR_EPHA2_HUMAN	TYR	5.5e-108	366.1	2	261	260	756	757	758	760	762	646	663	667	736	738	737	739	799	787	782	781	780	779	778	777	776	693	Ephrin type-A receptor 2
TYR	ABL1	ABL1_MOUSE	1M52A	P00520	232	502	1123.0	P17:119	Type1.5_Back	Inactive	DFGout	12.793	10.753	None	-60.22, 138.56	-89.44, -13.76	-71.29, 150.54	62.03, 63.6	85.22, 23.45	in-in	in	7.895	Saltbr-in	2.707	HRD-out	-103.5, 129.11	-84.41, -9.26	in-out-in	SNCioi	out-in	ActLoopNT-out	5.523	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.32, 126.97	APE9-dihe-in	-125.58, 158.53	APE8-dihe-in	-60.22, 106.23	APE8-rot-na	28.98	APE67-dihe-in	-61.13, -15.48	-48.91, -53.77	APE12-dist-na	18.536	APE11-dist-na	14.052	APE10-dist-na	17.1	APE9-dist-in	6.34	None	None	None	XRAY	2.6	0.211	0.254	A	293	271	0	0	0	0	[[242, 495]]	1.0	1m52	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	1M52B	P00520	232	503	1123.0	P17:120	Type1.5_Back	Inactive	DFGout	12.781	10.997	None	-67.54, 135.07	-84.58, -12.33	-70.24, 151.37	63.17, 66.62	85.76, 18.68	in-in	in	8.096	Saltbr-in	2.823	HRD-out	-106.35, 123.08	-78.82, -9.36	in-out-in	SNCioi	out-in	ActLoopNT-out	5.579	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-108.32, 130.43	APE9-dihe-in	-127.38, 164.85	APE8-dihe-in	-67.06, 104.95	APE8-rot-na	28.73	APE67-dihe-in	-58.93, -14.72	-46.9, -55.31	APE12-dist-na	18.942	APE11-dist-na	14.182	APE10-dist-na	17.032	APE9-dist-in	6.37	None	None	None	XRAY	2.6	0.211	0.254	B	293	272	0	0	0	0	[[242, 495]]	1.0	1m52	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1

Ligand: P17

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	2	100.0%	1M52A

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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	ABL1	ABL1_MOUSE	1M52A	P00520	232	502	1123.0	P17:119	Type1.5_Back	Inactive	DFGout	12.793	10.753	None	-60.22, 138.56	-89.44, -13.76	-71.29, 150.54	62.03, 63.6	85.22, 23.45	in-in	in	7.895	Saltbr-in	2.707	HRD-out	-103.5, 129.11	-84.41, -9.26	in-out-in	SNCioi	out-in	ActLoopNT-out	5.523	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.32, 126.97	APE9-dihe-in	-125.58, 158.53	APE8-dihe-in	-60.22, 106.23	APE8-rot-na	28.98	APE67-dihe-in	-61.13, -15.48	-48.91, -53.77	APE12-dist-na	18.536	APE11-dist-na	14.052	APE10-dist-na	17.1	APE9-dist-in	6.34	None	None	None	XRAY	2.6	0.211	0.254	A	293	271	0	0	0	0	[[242, 495]]	1.0	1m52	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	1M52B	P00520	232	503	1123.0	P17:120	Type1.5_Back	Inactive	DFGout	12.781	10.997	None	-67.54, 135.07	-84.58, -12.33	-70.24, 151.37	63.17, 66.62	85.76, 18.68	in-in	in	8.096	Saltbr-in	2.823	HRD-out	-106.35, 123.08	-78.82, -9.36	in-out-in	SNCioi	out-in	ActLoopNT-out	5.579	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-108.32, 130.43	APE9-dihe-in	-127.38, 164.85	APE8-dihe-in	-67.06, 104.95	APE8-rot-na	28.73	APE67-dihe-in	-58.93, -14.72	-46.9, -55.31	APE12-dist-na	18.942	APE11-dist-na	14.182	APE10-dist-na	17.032	APE9-dist-in	6.37	None	None	None	XRAY	2.6	0.211	0.254	B	293	272	0	0	0	0	[[242, 495]]	1.0	1m52	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1